1Ncbi-mime-asn1 ::= strucseq { 2 structure { 3 id { 4 mmdb-id 55825 5 }, 6 descr { 7 name "1CRN", 8 history { 9 replaces { 10 id mmdb-id 596, 11 date std { 12 year 2007, 13 month 8, 14 day 27 15 } 16 }, 17 data-source { 18 name-of-database "Protein Data Bank", 19 version-of-database release-date std { 20 year 2007, 21 month 8, 22 day 27 23 }, 24 database-entry-id other-database { 25 db "PDB", 26 tag str "1CRN" 27 }, 28 database-entry-date std { 29 year 1981, 30 month 4, 31 day 30 32 } 33 } 34 }, 35 attribution sub { 36 authors { 37 names std { 38 { 39 name name { 40 last "Hendrickson", 41 full "W.A.Hendrickson", 42 initials "W.A." 43 } 44 }, 45 { 46 name name { 47 last "Teeter", 48 full "M.M.Teeter", 49 initials "M.M." 50 } 51 } 52 } 53 }, 54 imp { 55 date std { 56 year 1981, 57 month 4, 58 day 30 59 } 60 } 61 }, 62 attribution equiv { 63 article { 64 title { 65 name "Water structure of a hydrophobic protein at atomic 66 resolution: Pentagon rings of water molecules in crystals of crambin." 67 }, 68 authors { 69 names std { 70 { 71 name name { 72 last "Teeter", 73 full "M.M.Teeter", 74 initials "M.M." 75 } 76 } 77 }, 78 affil str "Department of Chemistry, Boston University, 685 79 Commonwealth Avenue, Boston, MA 02215." 80 }, 81 from journal { 82 title { 83 iso-jta "Proc. Natl. Acad. Sci. U.S.A.", 84 ml-jta "Proc Natl Acad Sci U S A", 85 issn "0027-8424", 86 name "Proceedings of the National Academy of Sciences of the 87 United States of America" 88 }, 89 imp { 90 date std { 91 year 1984, 92 month 10 93 }, 94 volume "81", 95 issue "19", 96 pages "6014-6018", 97 language "ENG", 98 pubstatus ppublish, 99 history { 100 { 101 pubstatus pubmed, 102 date std { 103 year 1984, 104 month 10, 105 day 1, 106 hour 0, 107 minute 0 108 } 109 }, 110 { 111 pubstatus medline, 112 date std { 113 year 1984, 114 month 10, 115 day 1, 116 hour 0, 117 minute 0 118 } 119 } 120 } 121 } 122 }, 123 ids { 124 pubmed 16593516 125 } 126 }, 127 pmid 16593516 128 }, 129 attribution article { 130 title { 131 name "Structure Of The Hydrophobic Protein Crambin Determined 132 Directly From The Anomalous Scattering Of Sulphur" 133 }, 134 authors { 135 names std { 136 { 137 name name { 138 last "Hendrickson", 139 full "W.A.Hendrickson", 140 initials "W.A." 141 } 142 }, 143 { 144 name name { 145 last "Teeter", 146 full "M.M.Teeter", 147 initials "M.M." 148 } 149 } 150 } 151 }, 152 from journal { 153 title { 154 jta "Nature", 155 issn "0028-0836" 156 }, 157 imp { 158 date std { 159 year 1981 160 }, 161 volume "290", 162 pages "107" 163 } 164 } 165 }, 166 attribution equiv { 167 article { 168 title { 169 name "Highly ordered crystals of the plant seed protein crambin." 170 }, 171 authors { 172 names std { 173 { 174 name name { 175 last "Teeter", 176 full "M.M.Teeter", 177 initials "M.M." 178 } 179 }, 180 { 181 name name { 182 last "Hendrickson", 183 full "W.A.Hendrickson", 184 initials "W.A." 185 } 186 } 187 } 188 }, 189 from journal { 190 title { 191 iso-jta "J. Mol. Biol.", 192 ml-jta "J Mol Biol", 193 issn "0022-2836", 194 name "Journal of molecular biology" 195 }, 196 imp { 197 date std { 198 year 1979, 199 month 1, 200 day 15 201 }, 202 volume "127", 203 issue "2", 204 pages "219-223", 205 language "eng", 206 pubstatus ppublish, 207 history { 208 { 209 pubstatus pubmed, 210 date std { 211 year 1979, 212 month 1, 213 day 15 214 } 215 }, 216 { 217 pubstatus medline, 218 date std { 219 year 1979, 220 month 1, 221 day 15, 222 hour 0, 223 minute 1 224 } 225 } 226 } 227 } 228 }, 229 ids { 230 pubmed 430565, 231 pii "0022-2836(79)90242-0" 232 } 233 }, 234 pmid 430565 235 } 236 }, 237 chemical-graph { 238 descr { 239 name "Water Structure Of A Hydrophobic Protein At Atomic Resolution. 240 Pentagon Rings Of Water Molecules In Crystals Of Crambin", 241 pdb-class "Plant Seed Protein", 242 pdb-source "Mol_id: 1; Organism_scientific: Crambe Abyssinica", 243 pdb-comment "Water Structure Of A Hydrophobic Protein At Atomic 244 Resolution. Pentagon Rings Of Water Molecules In Crystals Of Crambin Plant 245 Seed Protein Mol_id: 1; Molecule: Crambin; Chain: A; Engineered: Yes", 246 assembly-type other 247 }, 248 molecule-graphs { 249 { 250 id 1, 251 descr { 252 name "A", 253 pdb-comment "SEQRES", 254 molecule-type protein, 255 organism { 256 org { 257 taxname "Crambe hispanica subsp. abyssinica", 258 db { 259 { 260 db "taxon", 261 tag id 3721 262 } 263 }, 264 syn { 265 "Crambe hispanica subsp. abyssinica (Hochst. ex R.E.Fr.) 266 Prina", 267 "Crambe abyssinica Hochst. ex R.E.Fr.", 268 "Crambe abyssinica", 269 "Abyssinian crambe", 270 "Abyssinian kale" 271 }, 272 orgname { 273 name binomial { 274 genus "Crambe", 275 species "hispanica", 276 subspecies "subsp. abyssinica" 277 }, 278 mod { 279 { 280 subtype sub-species, 281 subname "abyssinica" 282 } 283 }, 284 lineage "Eukaryota; Viridiplantae; Streptophyta; 285 Embryophyta; Tracheophyta; Spermatophyta; Magnoliophyta; eudicotyledons; core 286 eudicotyledons; rosids; eurosids II; Brassicales; Brassicaceae; Crambe", 287 gcode 1, 288 mgcode 1, 289 div "PLN" 290 } 291 } 292 } 293 }, 294 seq-id gi 157830695, 295 residue-sequence { 296 { 297 id 1, 298 name " 1 ", 299 residue-graph standard { 300 biostruc-residue-graph-set-id other-database { 301 db "Standard residue dictionary", 302 tag id 1 303 }, 304 residue-graph-id 51 305 } 306 }, 307 { 308 id 2, 309 name " 2 ", 310 residue-graph standard { 311 biostruc-residue-graph-set-id other-database { 312 db "Standard residue dictionary", 313 tag id 1 314 }, 315 residue-graph-id 49 316 } 317 }, 318 { 319 id 3, 320 name " 3 ", 321 residue-graph standard { 322 biostruc-residue-graph-set-id other-database { 323 db "Standard residue dictionary", 324 tag id 1 325 }, 326 residue-graph-id 13 327 } 328 }, 329 { 330 id 4, 331 name " 4 ", 332 residue-graph standard { 333 biostruc-residue-graph-set-id other-database { 334 db "Standard residue dictionary", 335 tag id 1 336 }, 337 residue-graph-id 13 338 } 339 }, 340 { 341 id 5, 342 name " 5 ", 343 residue-graph standard { 344 biostruc-residue-graph-set-id other-database { 345 db "Standard residue dictionary", 346 tag id 1 347 }, 348 residue-graph-id 43 349 } 350 }, 351 { 352 id 6, 353 name " 6 ", 354 residue-graph standard { 355 biostruc-residue-graph-set-id other-database { 356 db "Standard residue dictionary", 357 tag id 1 358 }, 359 residue-graph-id 46 360 } 361 }, 362 { 363 id 7, 364 name " 7 ", 365 residue-graph standard { 366 biostruc-residue-graph-set-id other-database { 367 db "Standard residue dictionary", 368 tag id 1 369 }, 370 residue-graph-id 28 371 } 372 }, 373 { 374 id 8, 375 name " 8 ", 376 residue-graph standard { 377 biostruc-residue-graph-set-id other-database { 378 db "Standard residue dictionary", 379 tag id 1 380 }, 381 residue-graph-id 58 382 } 383 }, 384 { 385 id 9, 386 name " 9 ", 387 residue-graph standard { 388 biostruc-residue-graph-set-id other-database { 389 db "Standard residue dictionary", 390 tag id 1 391 }, 392 residue-graph-id 1 393 } 394 }, 395 { 396 id 10, 397 name " 10 ", 398 residue-graph standard { 399 biostruc-residue-graph-set-id other-database { 400 db "Standard residue dictionary", 401 tag id 1 402 }, 403 residue-graph-id 4 404 } 405 }, 406 { 407 id 11, 408 name " 11 ", 409 residue-graph standard { 410 biostruc-residue-graph-set-id other-database { 411 db "Standard residue dictionary", 412 tag id 1 413 }, 414 residue-graph-id 46 415 } 416 }, 417 { 418 id 12, 419 name " 12 ", 420 residue-graph standard { 421 biostruc-residue-graph-set-id other-database { 422 db "Standard residue dictionary", 423 tag id 1 424 }, 425 residue-graph-id 7 426 } 427 }, 428 { 429 id 13, 430 name " 13 ", 431 residue-graph standard { 432 biostruc-residue-graph-set-id other-database { 433 db "Standard residue dictionary", 434 tag id 1 435 }, 436 residue-graph-id 40 437 } 438 }, 439 { 440 id 14, 441 name " 14 ", 442 residue-graph standard { 443 biostruc-residue-graph-set-id other-database { 444 db "Standard residue dictionary", 445 tag id 1 446 }, 447 residue-graph-id 7 448 } 449 }, 450 { 451 id 15, 452 name " 15 ", 453 residue-graph standard { 454 biostruc-residue-graph-set-id other-database { 455 db "Standard residue dictionary", 456 tag id 1 457 }, 458 residue-graph-id 58 459 } 460 }, 461 { 462 id 16, 463 name " 16 ", 464 residue-graph standard { 465 biostruc-residue-graph-set-id other-database { 466 db "Standard residue dictionary", 467 tag id 1 468 }, 469 residue-graph-id 13 470 } 471 }, 472 { 473 id 17, 474 name " 17 ", 475 residue-graph standard { 476 biostruc-residue-graph-set-id other-database { 477 db "Standard residue dictionary", 478 tag id 1 479 }, 480 residue-graph-id 4 481 } 482 }, 483 { 484 id 18, 485 name " 18 ", 486 residue-graph standard { 487 biostruc-residue-graph-set-id other-database { 488 db "Standard residue dictionary", 489 tag id 1 490 }, 491 residue-graph-id 31 492 } 493 }, 494 { 495 id 19, 496 name " 19 ", 497 residue-graph standard { 498 biostruc-residue-graph-set-id other-database { 499 db "Standard residue dictionary", 500 tag id 1 501 }, 502 residue-graph-id 43 503 } 504 }, 505 { 506 id 20, 507 name " 20 ", 508 residue-graph standard { 509 biostruc-residue-graph-set-id other-database { 510 db "Standard residue dictionary", 511 tag id 1 512 }, 513 residue-graph-id 22 514 } 515 }, 516 { 517 id 21, 518 name " 21 ", 519 residue-graph standard { 520 biostruc-residue-graph-set-id other-database { 521 db "Standard residue dictionary", 522 tag id 1 523 }, 524 residue-graph-id 49 525 } 526 }, 527 { 528 id 22, 529 name " 22 ", 530 residue-graph standard { 531 biostruc-residue-graph-set-id other-database { 532 db "Standard residue dictionary", 533 tag id 1 534 }, 535 residue-graph-id 43 536 } 537 }, 538 { 539 id 23, 540 name " 23 ", 541 residue-graph standard { 542 biostruc-residue-graph-set-id other-database { 543 db "Standard residue dictionary", 544 tag id 1 545 }, 546 residue-graph-id 19 547 } 548 }, 549 { 550 id 24, 551 name " 24 ", 552 residue-graph standard { 553 biostruc-residue-graph-set-id other-database { 554 db "Standard residue dictionary", 555 tag id 1 556 }, 557 residue-graph-id 1 558 } 559 }, 560 { 561 id 25, 562 name " 25 ", 563 residue-graph standard { 564 biostruc-residue-graph-set-id other-database { 565 db "Standard residue dictionary", 566 tag id 1 567 }, 568 residue-graph-id 28 569 } 570 }, 571 { 572 id 26, 573 name " 26 ", 574 residue-graph standard { 575 biostruc-residue-graph-set-id other-database { 576 db "Standard residue dictionary", 577 tag id 1 578 }, 579 residue-graph-id 13 580 } 581 }, 582 { 583 id 27, 584 name " 27 ", 585 residue-graph standard { 586 biostruc-residue-graph-set-id other-database { 587 db "Standard residue dictionary", 588 tag id 1 589 }, 590 residue-graph-id 1 591 } 592 }, 593 { 594 id 28, 595 name " 28 ", 596 residue-graph standard { 597 biostruc-residue-graph-set-id other-database { 598 db "Standard residue dictionary", 599 tag id 1 600 }, 601 residue-graph-id 49 602 } 603 }, 604 { 605 id 29, 606 name " 29 ", 607 residue-graph standard { 608 biostruc-residue-graph-set-id other-database { 609 db "Standard residue dictionary", 610 tag id 1 611 }, 612 residue-graph-id 55 613 } 614 }, 615 { 616 id 30, 617 name " 30 ", 618 residue-graph standard { 619 biostruc-residue-graph-set-id other-database { 620 db "Standard residue dictionary", 621 tag id 1 622 }, 623 residue-graph-id 49 624 } 625 }, 626 { 627 id 31, 628 name " 31 ", 629 residue-graph standard { 630 biostruc-residue-graph-set-id other-database { 631 db "Standard residue dictionary", 632 tag id 1 633 }, 634 residue-graph-id 22 635 } 636 }, 637 { 638 id 32, 639 name " 32 ", 640 residue-graph standard { 641 biostruc-residue-graph-set-id other-database { 642 db "Standard residue dictionary", 643 tag id 1 644 }, 645 residue-graph-id 13 646 } 647 }, 648 { 649 id 33, 650 name " 33 ", 651 residue-graph standard { 652 biostruc-residue-graph-set-id other-database { 653 db "Standard residue dictionary", 654 tag id 1 655 }, 656 residue-graph-id 28 657 } 658 }, 659 { 660 id 34, 661 name " 34 ", 662 residue-graph standard { 663 biostruc-residue-graph-set-id other-database { 664 db "Standard residue dictionary", 665 tag id 1 666 }, 667 residue-graph-id 28 668 } 669 }, 670 { 671 id 35, 672 name " 35 ", 673 residue-graph standard { 674 biostruc-residue-graph-set-id other-database { 675 db "Standard residue dictionary", 676 tag id 1 677 }, 678 residue-graph-id 28 679 } 680 }, 681 { 682 id 36, 683 name " 36 ", 684 residue-graph standard { 685 biostruc-residue-graph-set-id other-database { 686 db "Standard residue dictionary", 687 tag id 1 688 }, 689 residue-graph-id 43 690 } 691 }, 692 { 693 id 37, 694 name " 37 ", 695 residue-graph standard { 696 biostruc-residue-graph-set-id other-database { 697 db "Standard residue dictionary", 698 tag id 1 699 }, 700 residue-graph-id 22 701 } 702 }, 703 { 704 id 38, 705 name " 38 ", 706 residue-graph standard { 707 biostruc-residue-graph-set-id other-database { 708 db "Standard residue dictionary", 709 tag id 1 710 }, 711 residue-graph-id 1 712 } 713 }, 714 { 715 id 39, 716 name " 39 ", 717 residue-graph standard { 718 biostruc-residue-graph-set-id other-database { 719 db "Standard residue dictionary", 720 tag id 1 721 }, 722 residue-graph-id 49 723 } 724 }, 725 { 726 id 40, 727 name " 40 ", 728 residue-graph standard { 729 biostruc-residue-graph-set-id other-database { 730 db "Standard residue dictionary", 731 tag id 1 732 }, 733 residue-graph-id 13 734 } 735 }, 736 { 737 id 41, 738 name " 41 ", 739 residue-graph standard { 740 biostruc-residue-graph-set-id other-database { 741 db "Standard residue dictionary", 742 tag id 1 743 }, 744 residue-graph-id 43 745 } 746 }, 747 { 748 id 42, 749 name " 42 ", 750 residue-graph standard { 751 biostruc-residue-graph-set-id other-database { 752 db "Standard residue dictionary", 753 tag id 1 754 }, 755 residue-graph-id 22 756 } 757 }, 758 { 759 id 43, 760 name " 43 ", 761 residue-graph standard { 762 biostruc-residue-graph-set-id other-database { 763 db "Standard residue dictionary", 764 tag id 1 765 }, 766 residue-graph-id 10 767 } 768 }, 769 { 770 id 44, 771 name " 44 ", 772 residue-graph standard { 773 biostruc-residue-graph-set-id other-database { 774 db "Standard residue dictionary", 775 tag id 1 776 }, 777 residue-graph-id 55 778 } 779 }, 780 { 781 id 45, 782 name " 45 ", 783 residue-graph standard { 784 biostruc-residue-graph-set-id other-database { 785 db "Standard residue dictionary", 786 tag id 1 787 }, 788 residue-graph-id 1 789 } 790 }, 791 { 792 id 46, 793 name " 46 ", 794 residue-graph standard { 795 biostruc-residue-graph-set-id other-database { 796 db "Standard residue dictionary", 797 tag id 1 798 }, 799 residue-graph-id 8 800 } 801 } 802 }, 803 inter-residue-bonds { 804 { 805 atom-id-1 { 806 molecule-id 1, 807 residue-id 1, 808 atom-id 1 809 }, 810 atom-id-2 { 811 molecule-id 1, 812 residue-id 2, 813 atom-id 9 814 } 815 }, 816 { 817 atom-id-1 { 818 molecule-id 1, 819 residue-id 2, 820 atom-id 1 821 }, 822 atom-id-2 { 823 molecule-id 1, 824 residue-id 3, 825 atom-id 7 826 } 827 }, 828 { 829 atom-id-1 { 830 molecule-id 1, 831 residue-id 3, 832 atom-id 1 833 }, 834 atom-id-2 { 835 molecule-id 1, 836 residue-id 4, 837 atom-id 7 838 } 839 }, 840 { 841 atom-id-1 { 842 molecule-id 1, 843 residue-id 4, 844 atom-id 1 845 }, 846 atom-id-2 { 847 molecule-id 1, 848 residue-id 5, 849 atom-id 7 850 } 851 }, 852 { 853 atom-id-1 { 854 molecule-id 1, 855 residue-id 5, 856 atom-id 1 857 }, 858 atom-id-2 { 859 molecule-id 1, 860 residue-id 6, 861 atom-id 7 862 } 863 }, 864 { 865 atom-id-1 { 866 molecule-id 1, 867 residue-id 6, 868 atom-id 1 869 }, 870 atom-id-2 { 871 molecule-id 1, 872 residue-id 7, 873 atom-id 10 874 } 875 }, 876 { 877 atom-id-1 { 878 molecule-id 1, 879 residue-id 7, 880 atom-id 1 881 }, 882 atom-id-2 { 883 molecule-id 1, 884 residue-id 8, 885 atom-id 9 886 } 887 }, 888 { 889 atom-id-1 { 890 molecule-id 1, 891 residue-id 8, 892 atom-id 1 893 }, 894 atom-id-2 { 895 molecule-id 1, 896 residue-id 9, 897 atom-id 6 898 } 899 }, 900 { 901 atom-id-1 { 902 molecule-id 1, 903 residue-id 9, 904 atom-id 1 905 }, 906 atom-id-2 { 907 molecule-id 1, 908 residue-id 10, 909 atom-id 10 910 } 911 }, 912 { 913 atom-id-1 { 914 molecule-id 1, 915 residue-id 10, 916 atom-id 1 917 }, 918 atom-id-2 { 919 molecule-id 1, 920 residue-id 11, 921 atom-id 7 922 } 923 }, 924 { 925 atom-id-1 { 926 molecule-id 1, 927 residue-id 11, 928 atom-id 1 929 }, 930 atom-id-2 { 931 molecule-id 1, 932 residue-id 12, 933 atom-id 7 934 } 935 }, 936 { 937 atom-id-1 { 938 molecule-id 1, 939 residue-id 12, 940 atom-id 1 941 }, 942 atom-id-2 { 943 molecule-id 1, 944 residue-id 13, 945 atom-id 17 946 } 947 }, 948 { 949 atom-id-1 { 950 molecule-id 1, 951 residue-id 13, 952 atom-id 1 953 }, 954 atom-id-2 { 955 molecule-id 1, 956 residue-id 14, 957 atom-id 7 958 } 959 }, 960 { 961 atom-id-1 { 962 molecule-id 1, 963 residue-id 14, 964 atom-id 1 965 }, 966 atom-id-2 { 967 molecule-id 1, 968 residue-id 15, 969 atom-id 9 970 } 971 }, 972 { 973 atom-id-1 { 974 molecule-id 1, 975 residue-id 15, 976 atom-id 1 977 }, 978 atom-id-2 { 979 molecule-id 1, 980 residue-id 16, 981 atom-id 7 982 } 983 }, 984 { 985 atom-id-1 { 986 molecule-id 1, 987 residue-id 16, 988 atom-id 1 989 }, 990 atom-id-2 { 991 molecule-id 1, 992 residue-id 17, 993 atom-id 10 994 } 995 }, 996 { 997 atom-id-1 { 998 molecule-id 1, 999 residue-id 17, 1000 atom-id 1 1001 }, 1002 atom-id-2 { 1003 molecule-id 1, 1004 residue-id 18, 1005 atom-id 10 1006 } 1007 }, 1008 { 1009 atom-id-1 { 1010 molecule-id 1, 1011 residue-id 18, 1012 atom-id 1 1013 }, 1014 atom-id-2 { 1015 molecule-id 1, 1016 residue-id 19, 1017 atom-id 7 1018 } 1019 }, 1020 { 1021 atom-id-1 { 1022 molecule-id 1, 1023 residue-id 19, 1024 atom-id 1 1025 }, 1026 atom-id-2 { 1027 molecule-id 1, 1028 residue-id 20, 1029 atom-id 4 1030 } 1031 }, 1032 { 1033 atom-id-1 { 1034 molecule-id 1, 1035 residue-id 20, 1036 atom-id 1 1037 }, 1038 atom-id-2 { 1039 molecule-id 1, 1040 residue-id 21, 1041 atom-id 9 1042 } 1043 }, 1044 { 1045 atom-id-1 { 1046 molecule-id 1, 1047 residue-id 21, 1048 atom-id 1 1049 }, 1050 atom-id-2 { 1051 molecule-id 1, 1052 residue-id 22, 1053 atom-id 7 1054 } 1055 }, 1056 { 1057 atom-id-1 { 1058 molecule-id 1, 1059 residue-id 22, 1060 atom-id 1 1061 }, 1062 atom-id-2 { 1063 molecule-id 1, 1064 residue-id 23, 1065 atom-id 10 1066 } 1067 }, 1068 { 1069 atom-id-1 { 1070 molecule-id 1, 1071 residue-id 23, 1072 atom-id 1 1073 }, 1074 atom-id-2 { 1075 molecule-id 1, 1076 residue-id 24, 1077 atom-id 6 1078 } 1079 }, 1080 { 1081 atom-id-1 { 1082 molecule-id 1, 1083 residue-id 24, 1084 atom-id 1 1085 }, 1086 atom-id-2 { 1087 molecule-id 1, 1088 residue-id 25, 1089 atom-id 10 1090 } 1091 }, 1092 { 1093 atom-id-1 { 1094 molecule-id 1, 1095 residue-id 25, 1096 atom-id 1 1097 }, 1098 atom-id-2 { 1099 molecule-id 1, 1100 residue-id 26, 1101 atom-id 7 1102 } 1103 }, 1104 { 1105 atom-id-1 { 1106 molecule-id 1, 1107 residue-id 26, 1108 atom-id 1 1109 }, 1110 atom-id-2 { 1111 molecule-id 1, 1112 residue-id 27, 1113 atom-id 6 1114 } 1115 }, 1116 { 1117 atom-id-1 { 1118 molecule-id 1, 1119 residue-id 27, 1120 atom-id 1 1121 }, 1122 atom-id-2 { 1123 molecule-id 1, 1124 residue-id 28, 1125 atom-id 9 1126 } 1127 }, 1128 { 1129 atom-id-1 { 1130 molecule-id 1, 1131 residue-id 28, 1132 atom-id 1 1133 }, 1134 atom-id-2 { 1135 molecule-id 1, 1136 residue-id 29, 1137 atom-id 17 1138 } 1139 }, 1140 { 1141 atom-id-1 { 1142 molecule-id 1, 1143 residue-id 29, 1144 atom-id 1 1145 }, 1146 atom-id-2 { 1147 molecule-id 1, 1148 residue-id 30, 1149 atom-id 9 1150 } 1151 }, 1152 { 1153 atom-id-1 { 1154 molecule-id 1, 1155 residue-id 30, 1156 atom-id 1 1157 }, 1158 atom-id-2 { 1159 molecule-id 1, 1160 residue-id 31, 1161 atom-id 4 1162 } 1163 }, 1164 { 1165 atom-id-1 { 1166 molecule-id 1, 1167 residue-id 31, 1168 atom-id 1 1169 }, 1170 atom-id-2 { 1171 molecule-id 1, 1172 residue-id 32, 1173 atom-id 7 1174 } 1175 }, 1176 { 1177 atom-id-1 { 1178 molecule-id 1, 1179 residue-id 32, 1180 atom-id 1 1181 }, 1182 atom-id-2 { 1183 molecule-id 1, 1184 residue-id 33, 1185 atom-id 10 1186 } 1187 }, 1188 { 1189 atom-id-1 { 1190 molecule-id 1, 1191 residue-id 33, 1192 atom-id 1 1193 }, 1194 atom-id-2 { 1195 molecule-id 1, 1196 residue-id 34, 1197 atom-id 10 1198 } 1199 }, 1200 { 1201 atom-id-1 { 1202 molecule-id 1, 1203 residue-id 34, 1204 atom-id 1 1205 }, 1206 atom-id-2 { 1207 molecule-id 1, 1208 residue-id 35, 1209 atom-id 10 1210 } 1211 }, 1212 { 1213 atom-id-1 { 1214 molecule-id 1, 1215 residue-id 35, 1216 atom-id 1 1217 }, 1218 atom-id-2 { 1219 molecule-id 1, 1220 residue-id 36, 1221 atom-id 7 1222 } 1223 }, 1224 { 1225 atom-id-1 { 1226 molecule-id 1, 1227 residue-id 36, 1228 atom-id 1 1229 }, 1230 atom-id-2 { 1231 molecule-id 1, 1232 residue-id 37, 1233 atom-id 4 1234 } 1235 }, 1236 { 1237 atom-id-1 { 1238 molecule-id 1, 1239 residue-id 37, 1240 atom-id 1 1241 }, 1242 atom-id-2 { 1243 molecule-id 1, 1244 residue-id 38, 1245 atom-id 6 1246 } 1247 }, 1248 { 1249 atom-id-1 { 1250 molecule-id 1, 1251 residue-id 38, 1252 atom-id 1 1253 }, 1254 atom-id-2 { 1255 molecule-id 1, 1256 residue-id 39, 1257 atom-id 9 1258 } 1259 }, 1260 { 1261 atom-id-1 { 1262 molecule-id 1, 1263 residue-id 39, 1264 atom-id 1 1265 }, 1266 atom-id-2 { 1267 molecule-id 1, 1268 residue-id 40, 1269 atom-id 7 1270 } 1271 }, 1272 { 1273 atom-id-1 { 1274 molecule-id 1, 1275 residue-id 40, 1276 atom-id 1 1277 }, 1278 atom-id-2 { 1279 molecule-id 1, 1280 residue-id 41, 1281 atom-id 7 1282 } 1283 }, 1284 { 1285 atom-id-1 { 1286 molecule-id 1, 1287 residue-id 41, 1288 atom-id 1 1289 }, 1290 atom-id-2 { 1291 molecule-id 1, 1292 residue-id 42, 1293 atom-id 4 1294 } 1295 }, 1296 { 1297 atom-id-1 { 1298 molecule-id 1, 1299 residue-id 42, 1300 atom-id 1 1301 }, 1302 atom-id-2 { 1303 molecule-id 1, 1304 residue-id 43, 1305 atom-id 9 1306 } 1307 }, 1308 { 1309 atom-id-1 { 1310 molecule-id 1, 1311 residue-id 43, 1312 atom-id 1 1313 }, 1314 atom-id-2 { 1315 molecule-id 1, 1316 residue-id 44, 1317 atom-id 17 1318 } 1319 }, 1320 { 1321 atom-id-1 { 1322 molecule-id 1, 1323 residue-id 44, 1324 atom-id 1 1325 }, 1326 atom-id-2 { 1327 molecule-id 1, 1328 residue-id 45, 1329 atom-id 6 1330 } 1331 }, 1332 { 1333 atom-id-1 { 1334 molecule-id 1, 1335 residue-id 45, 1336 atom-id 1 1337 }, 1338 atom-id-2 { 1339 molecule-id 1, 1340 residue-id 46, 1341 atom-id 7 1342 } 1343 }, 1344 { 1345 atom-id-1 { 1346 molecule-id 1, 1347 residue-id 3, 1348 atom-id 9 1349 }, 1350 atom-id-2 { 1351 molecule-id 1, 1352 residue-id 40, 1353 atom-id 9 1354 } 1355 }, 1356 { 1357 atom-id-1 { 1358 molecule-id 1, 1359 residue-id 4, 1360 atom-id 9 1361 }, 1362 atom-id-2 { 1363 molecule-id 1, 1364 residue-id 32, 1365 atom-id 9 1366 } 1367 }, 1368 { 1369 atom-id-1 { 1370 molecule-id 1, 1371 residue-id 16, 1372 atom-id 9 1373 }, 1374 atom-id-2 { 1375 molecule-id 1, 1376 residue-id 26, 1377 atom-id 9 1378 } 1379 } 1380 } 1381 } 1382 } 1383 }, 1384 features { 1385 { 1386 id 1, 1387 descr { 1388 name "PDB secondary structure" 1389 }, 1390 features { 1391 { 1392 id 1, 1393 name " H1", 1394 type helix, 1395 location subgraph residues interval { 1396 { 1397 molecule-id 1, 1398 from 7, 1399 to 19 1400 } 1401 } 1402 }, 1403 { 1404 id 2, 1405 name " H2", 1406 type helix, 1407 location subgraph residues interval { 1408 { 1409 molecule-id 1, 1410 from 23, 1411 to 30 1412 } 1413 } 1414 }, 1415 { 1416 id 3, 1417 name " S1 1", 1418 type strand, 1419 location subgraph residues interval { 1420 { 1421 molecule-id 1, 1422 from 1, 1423 to 4 1424 } 1425 } 1426 }, 1427 { 1428 id 4, 1429 name " S1 2", 1430 type strand, 1431 location subgraph residues interval { 1432 { 1433 molecule-id 1, 1434 from 32, 1435 to 35 1436 } 1437 } 1438 }, 1439 { 1440 id 5, 1441 name " T1", 1442 type turn, 1443 location subgraph residues interval { 1444 { 1445 molecule-id 1, 1446 from 41, 1447 to 44 1448 } 1449 } 1450 } 1451 } 1452 }, 1453 { 1454 id 2, 1455 descr { 1456 name "NCBI assigned secondary structure" 1457 }, 1458 features { 1459 { 1460 id 1, 1461 name "helix 1", 1462 type helix, 1463 location subgraph residues interval { 1464 { 1465 molecule-id 1, 1466 from 7, 1467 to 17 1468 } 1469 } 1470 }, 1471 { 1472 id 2, 1473 name "helix 2", 1474 type helix, 1475 location subgraph residues interval { 1476 { 1477 molecule-id 1, 1478 from 23, 1479 to 31 1480 } 1481 } 1482 }, 1483 { 1484 id 3, 1485 name "strand 1", 1486 type strand, 1487 location subgraph residues interval { 1488 { 1489 molecule-id 1, 1490 from 1, 1491 to 4 1492 } 1493 } 1494 }, 1495 { 1496 id 4, 1497 name "strand 2", 1498 type strand, 1499 location subgraph residues interval { 1500 { 1501 molecule-id 1, 1502 from 32, 1503 to 35 1504 } 1505 } 1506 } 1507 } 1508 } 1509 }, 1510 model { 1511 { 1512 id 3, 1513 type ncbi-all-atom, 1514 descr { 1515 name "Single-coordinate-per-atom model from PDB entry 1CRN with a 1516 vector model attached", 1517 pdb-reso "Resolution: 1.5", 1518 pdb-method "X-Ray Diffraction", 1519 pdb-comment "APR 16 87 Typographical~MAR 4 85 Typographical~SEP 30 1520 83 Typographical~DEC 3 81 Typographical~JUL 28 81 Initial Entry" 1521 }, 1522 model-space { 1523 coordinate-units angstroms, 1524 thermal-factor-units b 1525 }, 1526 model-coordinates { 1527 { 1528 id 1, 1529 coordinates literal atomic { 1530 number-of-points 327, 1531 atoms { 1532 number-of-ptrs 327, 1533 molecule-ids { 1534 1, 1535 1, 1536 1, 1537 1, 1538 1, 1539 1, 1540 1, 1541 1, 1542 1, 1543 1, 1544 1, 1545 1, 1546 1, 1547 1, 1548 1, 1549 1, 1550 1, 1551 1, 1552 1, 1553 1, 1554 1, 1555 1, 1556 1, 1557 1, 1558 1, 1559 1, 1560 1, 1561 1, 1562 1, 1563 1, 1564 1, 1565 1, 1566 1, 1567 1, 1568 1, 1569 1, 1570 1, 1571 1, 1572 1, 1573 1, 1574 1, 1575 1, 1576 1, 1577 1, 1578 1, 1579 1, 1580 1, 1581 1, 1582 1, 1583 1, 1584 1, 1585 1, 1586 1, 1587 1, 1588 1, 1589 1, 1590 1, 1591 1, 1592 1, 1593 1, 1594 1, 1595 1, 1596 1, 1597 1, 1598 1, 1599 1, 1600 1, 1601 1, 1602 1, 1603 1, 1604 1, 1605 1, 1606 1, 1607 1, 1608 1, 1609 1, 1610 1, 1611 1, 1612 1, 1613 1, 1614 1, 1615 1, 1616 1, 1617 1, 1618 1, 1619 1, 1620 1, 1621 1, 1622 1, 1623 1, 1624 1, 1625 1, 1626 1, 1627 1, 1628 1, 1629 1, 1630 1, 1631 1, 1632 1, 1633 1, 1634 1, 1635 1, 1636 1, 1637 1, 1638 1, 1639 1, 1640 1, 1641 1, 1642 1, 1643 1, 1644 1, 1645 1, 1646 1, 1647 1, 1648 1, 1649 1, 1650 1, 1651 1, 1652 1, 1653 1, 1654 1, 1655 1, 1656 1, 1657 1, 1658 1, 1659 1, 1660 1, 1661 1, 1662 1, 1663 1, 1664 1, 1665 1, 1666 1, 1667 1, 1668 1, 1669 1, 1670 1, 1671 1, 1672 1, 1673 1, 1674 1, 1675 1, 1676 1, 1677 1, 1678 1, 1679 1, 1680 1, 1681 1, 1682 1, 1683 1, 1684 1, 1685 1, 1686 1, 1687 1, 1688 1, 1689 1, 1690 1, 1691 1, 1692 1, 1693 1, 1694 1, 1695 1, 1696 1, 1697 1, 1698 1, 1699 1, 1700 1, 1701 1, 1702 1, 1703 1, 1704 1, 1705 1, 1706 1, 1707 1, 1708 1, 1709 1, 1710 1, 1711 1, 1712 1, 1713 1, 1714 1, 1715 1, 1716 1, 1717 1, 1718 1, 1719 1, 1720 1, 1721 1, 1722 1, 1723 1, 1724 1, 1725 1, 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1851 1, 1852 1, 1853 1, 1854 1, 1855 1, 1856 1, 1857 1, 1858 1, 1859 1, 1860 1 1861 }, 1862 residue-ids { 1863 1, 1864 1, 1865 1, 1866 1, 1867 1, 1868 1, 1869 1, 1870 2, 1871 2, 1872 2, 1873 2, 1874 2, 1875 2, 1876 2, 1877 3, 1878 3, 1879 3, 1880 3, 1881 3, 1882 3, 1883 4, 1884 4, 1885 4, 1886 4, 1887 4, 1888 4, 1889 5, 1890 5, 1891 5, 1892 5, 1893 5, 1894 5, 1895 5, 1896 6, 1897 6, 1898 6, 1899 6, 1900 6, 1901 6, 1902 7, 1903 7, 1904 7, 1905 7, 1906 7, 1907 7, 1908 7, 1909 7, 1910 8, 1911 8, 1912 8, 1913 8, 1914 8, 1915 8, 1916 8, 1917 9, 1918 9, 1919 9, 1920 9, 1921 9, 1922 10, 1923 10, 1924 10, 1925 10, 1926 10, 1927 10, 1928 10, 1929 10, 1930 10, 1931 10, 1932 10, 1933 11, 1934 11, 1935 11, 1936 11, 1937 11, 1938 11, 1939 12, 1940 12, 1941 12, 1942 12, 1943 12, 1944 12, 1945 12, 1946 12, 1947 13, 1948 13, 1949 13, 1950 13, 1951 13, 1952 13, 1953 13, 1954 13, 1955 13, 1956 13, 1957 13, 1958 14, 1959 14, 1960 14, 1961 14, 1962 14, 1963 14, 1964 14, 1965 14, 1966 15, 1967 15, 1968 15, 1969 15, 1970 15, 1971 15, 1972 15, 1973 16, 1974 16, 1975 16, 1976 16, 1977 16, 1978 16, 1979 17, 1980 17, 1981 17, 1982 17, 1983 17, 1984 17, 1985 17, 1986 17, 1987 17, 1988 17, 1989 17, 1990 18, 1991 18, 1992 18, 1993 18, 1994 18, 1995 18, 1996 18, 1997 18, 1998 19, 1999 19, 2000 19, 2001 19, 2002 19, 2003 19, 2004 19, 2005 20, 2006 20, 2007 20, 2008 20, 2009 21, 2010 21, 2011 21, 2012 21, 2013 21, 2014 21, 2015 21, 2016 22, 2017 22, 2018 22, 2019 22, 2020 22, 2021 22, 2022 22, 2023 23, 2024 23, 2025 23, 2026 23, 2027 23, 2028 23, 2029 23, 2030 23, 2031 23, 2032 24, 2033 24, 2034 24, 2035 24, 2036 24, 2037 25, 2038 25, 2039 25, 2040 25, 2041 25, 2042 25, 2043 25, 2044 25, 2045 26, 2046 26, 2047 26, 2048 26, 2049 26, 2050 26, 2051 27, 2052 27, 2053 27, 2054 27, 2055 27, 2056 28, 2057 28, 2058 28, 2059 28, 2060 28, 2061 28, 2062 28, 2063 29, 2064 29, 2065 29, 2066 29, 2067 29, 2068 29, 2069 29, 2070 29, 2071 29, 2072 29, 2073 29, 2074 29, 2075 30, 2076 30, 2077 30, 2078 30, 2079 30, 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9687, 3157 9862, 3158 11913, 3159 12819, 3160 13852, 3161 12616, 3162 14675, 3163 13432, 3164 14456, 3165 15265, 3166 8640, 3167 7666, 3168 6532, 3169 5704, 3170 7098, 3171 6501, 3172 5394, 3173 5853, 3174 6928, 3175 4769, 3176 4303, 3177 4848, 3178 3298, 3179 4973 3180 }, 3181 z { 3182 3625, 3183 4337, 3184 5132, 3185 5593, 3186 5336, 3187 4462, 3188 6303, 3189 5264, 3190 6065, 3191 7379, 3192 7442, 3193 5261, 3194 4926, 3195 3894, 3196 8416, 3197 9786, 3198 10322, 3199 10185, 3200 10690, 3201 10015, 3202 10928, 3203 11407, 3204 12918, 3205 13491, 3206 10682, 3207 8904, 3208 13562, 3209 15012, 3210 15605, 3211 16819, 3212 15345, 3213 14114, 3214 12958, 3215 14795, 3216 15279, 3217 14083, 3218 12923, 3219 15996, 3220 15031, 3221 14357, 3222 13258, 3223 12505, 3224 11244, 3225 13923, 3226 14312, 3227 12968, 3228 15142, 3229 13159, 3230 12453, 3231 11461, 3232 10343, 3233 13477, 3234 12869, 3235 14208, 3236 11940, 3237 11081, 3238 9850, 3239 8744, 3240 11890, 3241 10005, 3242 8836, 3243 7875, 3244 6651, 3245 9305, 3246 8149, 3247 7243, 3248 8034, 3249 7442, 3250 6157, 3251 8201, 3252 8444, 3253 7565, 3254 6772, 3255 5557, 3256 8399, 3257 9012, 3258 7446, 3259 6750, 3260 5690, 3261 4617, 3262 7748, 3263 8609, 3264 8164, 3265 9767, 3266 6005, 3267 5054, 3268 3799, 3269 2653, 3270 5754, 3271 4882, 3272 4026, 3273 4982, 3274 3194, 3275 4144, 3276 3292, 3277 3989, 3278 2790, 3279 1914, 3280 684, 3281 3240, 3282 3730, 3283 3322, 3284 4539, 3285 2571, 3286 1741, 3287 1003, 3288 -188, 3289 2608, 3290 1805, 3291 3005, 3292 1720, 3293 1126, 3294 -111, 3295 -1103, 3296 2240, 3297 1649, 3298 -100, 3299 -1213, 3300 -2408, 3301 -3506, 3302 -731, 3303 206, 3304 -615, 3305 -1337, 3306 -2430, 3307 -3032, 3308 -2898, 3309 -2203, 3310 -3325, 3311 -4619, 3312 -5686, 3313 -2862, 3314 -1991, 3315 -1633, 3316 -2767, 3317 -4543, 3318 -5796, 3319 -6322, 3320 -7421, 3321 -5472, 3322 -3993, 3323 -3407, 3324 -5559, 3325 -6018, 3326 -5280, 3327 -5730, 3328 -4262, 3329 -3513, 3330 -3042, 3331 -2523, 3332 -2224, 3333 -2622, 3334 -1550, 3335 -3176, 3336 -2696, 3337 -1225, 3338 -381, 3339 -2920, 3340 -3996, 3341 -3811, 3342 -921, 3343 500, 3344 1409, 3345 2539, 3346 660, 3347 63, 3348 391, 3349 680, 3350 291, 3351 966, 3352 1912, 3353 2349, 3354 3494, 3355 1246, 3356 1404, 3357 1756, 3358 2644, 3359 3578, 3360 462, 3361 -128, 3362 810, 3363 757, 3364 2312, 3365 3187, 3366 4596, 3367 5546, 3368 2539, 3369 1021, 3370 4693, 3371 6026, 3372 6881, 3373 8024, 3374 5829, 3375 6357, 3376 7193, 3377 7434, 3378 8468, 3379 6613, 3380 5230, 3381 6699, 3382 6511, 3383 6657, 3384 7815, 3385 8545, 3386 5322, 3387 5354, 3388 5644, 3389 5099, 3390 5672, 3391 5156, 3392 5429, 3393 5458, 3394 7994, 3395 8949, 3396 10229, 3397 11185, 3398 8225, 3399 7823, 3400 7034, 3401 10241, 3402 11359, 3403 11105, 3404 11954, 3405 9991, 3406 9635, 3407 9206, 3408 8944, 3409 8529, 3410 8880, 3411 9173, 3412 8822, 3413 7743, 3414 7552, 3415 10085, 3416 10670, 3417 11137, 3418 11781, 3419 7038, 3420 6035, 3421 6559, 3422 6945, 3423 4681, 3424 4163, 3425 3628, 3426 2937, 3427 6535, 3428 6940, 3429 5818, 3430 4969, 3431 8284, 3432 8067, 3433 9434, 3434 9218, 3435 5806, 3436 4737, 3437 4948, 3438 3944, 3439 4782, 3440 5907, 3441 6596, 3442 6217, 3443 6513, 3444 6427, 3445 5877, 3446 7032, 3447 7019, 3448 8395, 3449 8435, 3450 6275, 3451 9435, 3452 10809, 3453 11520, 3454 11947, 3455 11593, 3456 10708, 3457 12961, 3458 11642, 3459 12298, 3460 13784, 3461 14362, 3462 11996, 3463 10237, 3464 14425, 3465 15876, 3466 16593, 3467 16033, 3468 16145, 3469 14996, 3470 13779, 3471 17884, 3472 18690, 3473 18871, 3474 19166, 3475 18715, 3476 18836, 3477 17469, 3478 17427, 3479 19579, 3480 18958, 3481 18211, 3482 19264, 3483 16424, 3484 15081, 3485 14612, 3486 13567, 3487 14071, 3488 14399, 3489 15331, 3490 13762, 3491 15609, 3492 14048, 3493 14996, 3494 15269, 3495 15421, 3496 15246, 3497 14279, 3498 14038, 3499 16681, 3500 13739, 3501 12878, 3502 11454, 3503 11026, 3504 13501, 3505 14921, 3506 15885, 3507 15015, 3508 10746 3509 } 3510 }, 3511 temperature-factors isotropic { 3512 scale-factor 1000, 3513 b { 3514 13789, 3515 10800, 3516 9189, 3517 9850, 3518 13020, 3519 15060, 3520 14229, 3521 7809, 3522 8310, 3523 5800, 3524 6940, 3525 10319, 3526 12810, 3527 11899, 3528 5239, 3529 5389, 3530 4449, 3531 6539, 3532 5989, 3533 7010, 3534 3900, 3535 4239, 3536 3720, 3537 5300, 3538 4409, 3539 4719, 3540 3960, 3541 4250, 3542 4960, 3543 7440, 3544 5110, 3545 5239, 3546 5199, 3547 4829, 3548 4449, 3549 4989, 3550 4610, 3551 5050, 3552 6389, 3553 4940, 3554 6329, 3555 5320, 3556 6849, 3557 8430, 3558 9779, 3559 11699, 3560 9920, 3561 5019, 3562 6929, 3563 5389, 3564 6300, 3565 9640, 3566 13850, 3567 11970, 3568 3730, 3569 3559, 3570 4130, 3571 4360, 3572 4800, 3573 3730, 3574 3380, 3575 3470, 3576 4670, 3577 3950, 3578 4550, 3579 5889, 3580 6199, 3581 7519, 3582 10680, 3583 9479, 3584 5190, 3585 4599, 3586 4840, 3587 5840, 3588 5909, 3589 8380, 3590 3539, 3591 4570, 3592 4139, 3593 5519, 3594 6420, 3595 8250, 3596 12720, 3597 9920, 3598 3430, 3599 3490, 3600 3400, 3601 4070, 3602 5480, 3603 5570, 3604 6989, 3605 6519, 3606 8199, 3607 6340, 3608 6840, 3609 3640, 3610 4309, 3611 3980, 3612 6219, 3613 5809, 3614 6820, 3615 9430, 3616 8210, 3617 3759, 3618 3980, 3619 3799, 3620 4849, 3621 4710, 3622 6670, 3623 6260, 3624 3789, 3625 3539, 3626 3480, 3627 4630, 3628 4579, 3629 5659, 3630 3990, 3631 3829, 3632 3789, 3633 5389, 3634 4110, 3635 4690, 3636 5099, 3637 4710, 3638 5280, 3639 6670, 3640 6409, 3641 4699, 3642 5460, 3643 5130, 3644 5550, 3645 6469, 3646 7429, 3647 8699, 3648 9390, 3649 4280, 3650 5380, 3651 6300, 3652 9619, 3653 5869, 3654 6469, 3655 6449, 3656 4940, 3657 5389, 3658 5030, 3659 7340, 3660 4099, 3661 3940, 3662 3960, 3663 5820, 3664 4130, 3665 5449, 3666 5409, 3667 5039, 3668 4690, 3669 4190, 3670 4469, 3671 7119, 3672 7030, 3673 4900, 3674 5159, 3675 5309, 3676 4110, 3677 5110, 3678 6159, 3679 7480, 3680 9399, 3681 10399, 3682 13319, 3683 4559, 3684 4489, 3685 4099, 3686 5639, 3687 5800, 3688 4369, 3689 5440, 3690 4320, 3691 4719, 3692 6420, 3693 7500, 3694 7650, 3695 7800, 3696 3920, 3697 4369, 3698 3950, 3699 4739, 3700 4630, 3701 5610, 3702 3890, 3703 4429, 3704 4260, 3705 5440, 3706 5360, 3707 4530, 3708 5079, 3709 4619, 3710 7800, 3711 6030, 3712 7190, 3713 7340, 3714 5010, 3715 6599, 3716 4920, 3717 7130, 3718 9659, 3719 11560, 3720 12850, 3721 14439, 3722 16610, 3723 17110, 3724 19989, 3725 28979, 3726 5309, 3727 5699, 3728 6280, 3729 8770, 3730 6550, 3731 6570, 3732 7289, 3733 4989, 3734 5500, 3735 4190, 3736 6119, 3737 4300, 3738 4889, 3739 5500, 3740 5820, 3741 4659, 3742 5329, 3743 6019, 3744 5239, 3745 5159, 3746 7190, 3747 5489, 3748 6849, 3749 6449, 3750 8939, 3751 5519, 3752 6820, 3753 6920, 3754 9220, 3755 8109, 3756 9590, 3757 9729, 3758 13409, 3759 7059, 3760 7519, 3761 6630, 3762 7900, 3763 8069, 3764 9409, 3765 9460, 3766 9850, 3767 8069, 3768 8779, 3769 8310, 3770 9090, 3771 9670, 3772 10149, 3773 9529, 3774 8479, 3775 9199, 3776 10409, 3777 12060, 3778 9239, 3779 9239, 3780 9600, 3781 13649, 3782 10430, 3783 8699, 3784 9460, 3785 8319, 3786 9890, 3787 10720, 3788 11659, 3789 11810, 3790 7639, 3791 8050, 3792 7630, 3793 9640, 3794 7800, 3795 7300, 3796 8000, 3797 8960, 3798 9060, 3799 8819, 3800 10390, 3801 10989, 3802 10489, 3803 7550, 3804 8000, 3805 7219, 3806 8409, 3807 5539, 3808 5849, 3809 5869, 3810 7289, 3811 6719, 3812 8590, 3813 9590, 3814 11449, 3815 5219, 3816 5559, 3817 4610, 3818 6039, 3819 5409, 3820 5340, 3821 6590, 3822 5940, 3823 5969, 3824 5170, 3825 5960, 3826 8600, 3827 4760, 3828 5889, 3829 6670, 3830 7559, 3831 6820, 3832 5800, 3833 6150, 3834 6610, 3835 7179, 3836 7269, 3837 7980, 3838 11000, 3839 10319, 3840 7860 3841 } 3842 } 3843 } 3844 }, 3845 { 3846 id 2, 3847 descr { 3848 other-comment "strand" 3849 }, 3850 coordinates literal surface { 3851 contents residues interval { 3852 { 3853 molecule-id 1, 3854 from 1, 3855 to 4 3856 } 3857 }, 3858 surface brick { 3859 corner-000 { 3860 scale-factor 1000000, 3861 x 16714633, 3862 y 11923621, 3863 z 3804405 3864 }, 3865 corner-001 { 3866 scale-factor 1000000, 3867 x 15691615, 3868 y 13635873, 3869 z 3951460 3870 }, 3871 corner-010 { 3872 scale-factor 1000000, 3873 x 16700384, 3874 y 11916126, 3875 z 3792539 3876 }, 3877 corner-011 { 3878 scale-factor 1000000, 3879 x 15677366, 3880 y 13628378, 3881 z 3939594 3882 }, 3883 corner-100 { 3884 scale-factor 1000000, 3885 x 11884633, 3886 y 8345621, 3887 z 11864405 3888 }, 3889 corner-101 { 3890 scale-factor 1000000, 3891 x 10861615, 3892 y 10057873, 3893 z 12011460 3894 }, 3895 corner-110 { 3896 scale-factor 1000000, 3897 x 11870384, 3898 y 8338126, 3899 z 11852539 3900 }, 3901 corner-111 { 3902 scale-factor 1000000, 3903 x 10847366, 3904 y 10050378, 3905 z 11999594 3906 } 3907 } 3908 } 3909 }, 3910 { 3911 id 3, 3912 descr { 3913 other-comment "helix" 3914 }, 3915 coordinates literal surface { 3916 contents residues interval { 3917 { 3918 molecule-id 1, 3919 from 7, 3920 to 17 3921 } 3922 }, 3923 surface cylinder { 3924 axis-top { 3925 scale-factor 1000000, 3926 x 4367000, 3927 y 4819000, 3928 z -1066000 3929 }, 3930 axis-bottom { 3931 scale-factor 1000000, 3932 x 7276000, 3933 y 3457000, 3934 z 13707000 3935 }, 3936 radius { 3937 scale-factor 1, 3938 scaled-integer-value 2 3939 } 3940 } 3941 } 3942 }, 3943 { 3944 id 4, 3945 descr { 3946 other-comment "helix" 3947 }, 3948 coordinates literal surface { 3949 contents residues interval { 3950 { 3951 molecule-id 1, 3952 from 23, 3953 to 31 3954 } 3955 }, 3956 surface cylinder { 3957 axis-top { 3958 scale-factor 1000000, 3959 x 2430000, 3960 y 12003000, 3961 z 10412000 3962 }, 3963 axis-bottom { 3964 scale-factor 1000000, 3965 x 6252000, 3966 y 14439000, 3967 z 125000 3968 }, 3969 radius { 3970 scale-factor 1, 3971 scaled-integer-value 2 3972 } 3973 } 3974 } 3975 }, 3976 { 3977 id 5, 3978 descr { 3979 other-comment "strand" 3980 }, 3981 coordinates literal surface { 3982 contents residues interval { 3983 { 3984 molecule-id 1, 3985 from 32, 3986 to 35 3987 } 3988 }, 3989 surface brick { 3990 corner-000 { 3991 scale-factor 1000000, 3992 x 8273273, 3993 y 11611786, 3994 z 9799259 3995 }, 3996 corner-001 { 3997 scale-factor 1000000, 3998 x 7231853, 3999 y 13318548, 4000 z 9848319 4001 }, 4002 corner-010 { 4003 scale-factor 1000000, 4004 x 8280146, 4005 y 11615451, 4006 z 9817680 4007 }, 4008 corner-011 { 4009 scale-factor 1000000, 4010 x 7238726, 4011 y 13322213, 4012 z 9866740 4013 }, 4014 corner-100 { 4015 scale-factor 1000000, 4016 x 16046273, 4017 y 16465786, 4018 z 5933259 4019 }, 4020 corner-101 { 4021 scale-factor 1000000, 4022 x 15004853, 4023 y 18172548, 4024 z 5982319 4025 }, 4026 corner-110 { 4027 scale-factor 1000000, 4028 x 16053146, 4029 y 16469451, 4030 z 5951680 4031 }, 4032 corner-111 { 4033 scale-factor 1000000, 4034 x 15011726, 4035 y 18176213, 4036 z 6000740 4037 } 4038 } 4039 } 4040 } 4041 } 4042 } 4043 } 4044 }, 4045 sequences { 4046 seq { 4047 id { 4048 pdb { 4049 mol "1CRN", 4050 chain 65, 4051 rel std { 4052 year 1981, 4053 month 4, 4054 day 30 4055 } 4056 }, 4057 gi 157830695 4058 }, 4059 descr { 4060 pdb { 4061 deposition std { 4062 year 1981, 4063 month 4, 4064 day 30 4065 }, 4066 class "Plant Seed Protein", 4067 compound { 4068 "Water Structure Of A Hydrophobic Protein At Atomic Resolution. 4069 Pentagon Rings Of Water Molecules In Crystals Of Crambin" 4070 }, 4071 source { 4072 "Mol_id: 1; Organism_scientific: Crambe Abyssinica" 4073 } 4074 }, 4075 source { 4076 org { 4077 taxname "Crambe hispanica subsp. abyssinica", 4078 db { 4079 { 4080 db "taxon", 4081 tag id 3721 4082 } 4083 }, 4084 syn { 4085 "Crambe hispanica subsp. abyssinica (Hochst. ex R.E.Fr.) Prina", 4086 "Crambe abyssinica Hochst. ex R.E.Fr.", 4087 "Crambe abyssinica", 4088 "Abyssinian crambe", 4089 "Abyssinian kale" 4090 }, 4091 orgname { 4092 name binomial { 4093 genus "Crambe", 4094 species "hispanica", 4095 subspecies "subsp. abyssinica" 4096 }, 4097 mod { 4098 { 4099 subtype sub-species, 4100 subname "abyssinica" 4101 } 4102 }, 4103 lineage "Eukaryota; Viridiplantae; Streptophyta; Embryophyta; 4104 Tracheophyta; Spermatophyta; Magnoliophyta; eudicotyledons; core 4105 eudicotyledons; rosids; eurosids II; Brassicales; Brassicaceae; Crambe", 4106 gcode 1, 4107 mgcode 1, 4108 div "PLN" 4109 } 4110 } 4111 } 4112 }, 4113 inst { 4114 repr raw, 4115 mol aa, 4116 length 46, 4117 seq-data iupacaa "TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN" 4118 } 4119 } 4120 }, 4121 style-dictionary { 4122 global-style { 4123 protein-backbone { 4124 type trace, 4125 style tube-worm, 4126 color-scheme secondary-structure, 4127 user-color { 4128 scale-factor 10000, 4129 red 5000, 4130 green 5000, 4131 blue 5000, 4132 alpha 10000 4133 } 4134 }, 4135 nucleotide-backbone { 4136 type trace, 4137 style tube-worm, 4138 color-scheme molecule, 4139 user-color { 4140 scale-factor 10000, 4141 red 5000, 4142 green 5000, 4143 blue 5000, 4144 alpha 10000 4145 } 4146 }, 4147 protein-sidechains { 4148 is-on FALSE, 4149 style wire, 4150 color-scheme element, 4151 user-color { 4152 scale-factor 10000, 4153 red 5000, 4154 green 5000, 4155 blue 5000, 4156 alpha 10000 4157 } 4158 }, 4159 nucleotide-sidechains { 4160 is-on FALSE, 4161 style wire, 4162 color-scheme element, 4163 user-color { 4164 scale-factor 10000, 4165 red 5000, 4166 green 5000, 4167 blue 5000, 4168 alpha 10000 4169 } 4170 }, 4171 heterogens { 4172 is-on TRUE, 4173 style ball-and-stick, 4174 color-scheme element, 4175 user-color { 4176 scale-factor 10000, 4177 red 5000, 4178 green 5000, 4179 blue 5000, 4180 alpha 10000 4181 } 4182 }, 4183 solvents { 4184 is-on FALSE, 4185 style ball-and-stick, 4186 color-scheme element, 4187 user-color { 4188 scale-factor 10000, 4189 red 5000, 4190 green 5000, 4191 blue 5000, 4192 alpha 10000 4193 } 4194 }, 4195 connections { 4196 is-on TRUE, 4197 style tubes, 4198 color-scheme user-select, 4199 user-color { 4200 scale-factor 10000, 4201 red 9000, 4202 green 9000, 4203 blue 10000, 4204 alpha 10000 4205 } 4206 }, 4207 helix-objects { 4208 is-on TRUE, 4209 style with-arrows, 4210 color-scheme secondary-structure, 4211 user-color { 4212 scale-factor 10000, 4213 red 5000, 4214 green 5000, 4215 blue 5000, 4216 alpha 10000 4217 } 4218 }, 4219 strand-objects { 4220 is-on TRUE, 4221 style with-arrows, 4222 color-scheme secondary-structure, 4223 user-color { 4224 scale-factor 10000, 4225 red 5000, 4226 green 5000, 4227 blue 5000, 4228 alpha 10000 4229 } 4230 }, 4231 virtual-disulfides-on TRUE, 4232 virtual-disulfide-color { 4233 scale-factor 10000, 4234 red 9300, 4235 green 5500, 4236 blue 500, 4237 alpha 10000 4238 }, 4239 hydrogens-on TRUE, 4240 background-color { 4241 scale-factor 10000, 4242 red 0, 4243 green 0, 4244 blue 0, 4245 alpha 10000 4246 }, 4247 scale-factor 10000, 4248 space-fill-proportion 10000, 4249 ball-radius 4000, 4250 stick-radius 2000, 4251 tube-radius 3000, 4252 tube-worm-radius 3000, 4253 helix-radius 18000, 4254 strand-width 20000, 4255 strand-thickness 5000, 4256 protein-labels { 4257 spacing 0, 4258 type three-letter, 4259 number sequential, 4260 termini FALSE, 4261 white TRUE 4262 }, 4263 nucleotide-labels { 4264 spacing 0, 4265 type three-letter, 4266 number sequential, 4267 termini FALSE, 4268 white TRUE 4269 }, 4270 ion-labels TRUE 4271 } 4272 }, 4273 user-annotations { 4274 view { 4275 camera-distance { 528460927488816, 10, -13 }, 4276 camera-angle-rad { 610865238198015, 10, -15 }, 4277 camera-look-at-X { 0, 10, 0 }, 4278 camera-look-at-Y { 0, 10, 0 }, 4279 camera-clip-near { 243902776775804, 10, -13 }, 4280 camera-clip-far { 824846631835331, 10, -13 }, 4281 matrix { 4282 m0 { 756122708320618, 10, -15 }, 4283 m1 { -448594018816948, 10, -16 }, 4284 m2 { -652889966964722, 10, -15 }, 4285 m3 { 0, 10, 0 }, 4286 m4 { 23760224878788, 10, -14 }, 4287 m5 { 948391020298004, 10, -15 }, 4288 m6 { 210007518529892, 10, -15 }, 4289 m7 { 0, 10, 0 }, 4290 m8 { 609773278236389, 10, -15 }, 4291 m9 { -313919514417648, 10, -15 }, 4292 m10 { 727758526802063, 10, -15 }, 4293 m11 { 0, 10, 0 }, 4294 m12 { -135815353393555, 10, -13 }, 4295 m13 { -667890644073486, 10, -14 }, 4296 m14 { -107414162158966, 10, -14 }, 4297 m15 { 1, 10, 0 } 4298 }, 4299 rotation-center { 4300 x { 926840366972477, 10, -14 }, 4301 y { 978676758409786, 10, -14 }, 4302 z { 696673088685015, 10, -14 } 4303 } 4304 } 4305 } 4306} 4307