==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 26-AUG-99 1CWV . COMPND 2 MOLECULE: INVASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR P.J.BJORKMAN,Z.A.HAMBURGER . 484 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 66 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 5 2 8 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 503 A L 0 0 68 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 172.7 29.8 36.1 104.2 2 504 A T E -A 27 0A 57 25,-3.2 25,-1.9 81,-0.1 2,-0.4 -0.743 360.0-163.4-111.2 155.2 33.1 35.9 102.3 3 505 A L E +A 26 0A 9 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.878 15.7 177.5-137.1 102.3 34.1 36.3 98.6 4 506 A T E -A 25 0A 81 21,-2.2 21,-3.0 -2,-0.4 2,-0.3 -0.853 12.7-149.4-110.8 140.8 37.6 35.0 97.6 5 507 A A E -A 24 0A 27 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.824 10.3-169.0-115.2 149.9 39.1 35.0 94.1 6 508 A A E -A 23 0A 44 17,-1.8 17,-2.8 -2,-0.3 2,-0.5 -0.999 14.3-147.9-133.4 127.1 41.5 32.7 92.2 7 509 A V E -A 22 0A 55 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.869 14.7-169.1-101.4 124.7 43.0 33.7 88.9 8 510 A I E +A 21 0A 76 13,-3.1 13,-3.1 -2,-0.5 -2,-0.0 -0.950 64.9 5.5-119.2 123.9 43.8 30.9 86.4 9 511 A G S S+ 0 0 50 -2,-0.5 3,-0.2 11,-0.2 -1,-0.2 0.799 79.2 179.7 82.1 29.3 45.8 31.2 83.2 10 512 A D + 0 0 73 -3,-0.2 -1,-0.1 1,-0.2 81,-0.1 -0.168 56.4 46.1 -61.5 155.2 46.9 34.9 83.6 11 513 A G S S+ 0 0 33 79,-1.4 80,-0.2 1,-0.2 -1,-0.2 0.799 74.2 166.9 81.9 29.2 49.0 36.6 81.0 12 514 A A E -d 91 0B 7 78,-0.7 80,-2.3 -3,-0.2 -1,-0.2 -0.369 45.7 -89.8 -73.3 154.7 47.1 35.3 78.0 13 515 A P E -d 92 0B 21 0, 0.0 2,-1.4 0, 0.0 3,-0.4 -0.301 32.8-119.6 -62.6 151.0 47.7 36.9 74.6 14 516 A A S S+ 0 0 21 78,-2.0 57,-0.2 1,-0.2 80,-0.1 -0.403 78.7 119.8 -88.3 57.5 45.5 39.9 73.8 15 517 A N S S- 0 0 30 -2,-1.4 54,-0.3 3,-0.2 -1,-0.2 0.350 80.0-121.4-102.4 1.9 44.1 38.0 70.7 16 518 A G S S+ 0 0 26 52,-1.7 53,-0.2 -3,-0.4 51,-0.1 0.672 100.1 70.8 65.0 15.5 40.5 38.0 71.8 17 519 A K S S+ 0 0 148 51,-0.2 2,-0.3 -4,-0.2 -1,-0.1 0.638 75.5 72.4-125.0 -52.1 40.6 34.1 71.7 18 520 A T S S- 0 0 40 -5,-0.2 50,-0.4 50,-0.1 2,-0.3 -0.528 74.6-143.8 -73.5 134.5 42.6 32.8 74.5 19 521 A A - 0 0 43 -2,-0.3 2,-0.4 48,-0.1 48,-0.2 -0.761 13.9-150.3-109.4 148.8 40.9 33.1 77.9 20 522 A I E - B 0 66A 0 46,-2.5 46,-2.7 -2,-0.3 2,-0.4 -0.845 25.6-143.2-104.3 144.3 42.0 33.9 81.4 21 523 A T E -AB 8 65A 38 -13,-3.1 -13,-3.1 -2,-0.4 2,-0.4 -0.863 13.7-167.4-113.8 145.2 39.7 32.3 84.1 22 524 A V E -AB 7 64A 0 42,-2.5 42,-1.8 -2,-0.4 2,-0.6 -0.987 4.0-162.6-134.4 128.5 38.6 33.6 87.4 23 525 A E E -AB 6 63A 54 -17,-2.8 -17,-1.8 -2,-0.4 2,-0.5 -0.940 3.1-167.1-112.8 118.4 37.0 31.6 90.1 24 526 A F E -AB 5 62A 0 38,-2.8 38,-2.4 -2,-0.6 2,-0.5 -0.883 5.5-161.1-103.7 127.1 35.1 33.3 92.9 25 527 A T E -AB 4 61A 45 -21,-3.0 -21,-2.2 -2,-0.5 2,-0.5 -0.935 3.5-154.1-113.9 130.3 34.2 31.2 95.8 26 528 A V E +A 3 0A 0 34,-2.9 8,-2.9 -2,-0.5 2,-0.3 -0.901 21.5 171.9-102.9 122.3 31.5 32.3 98.2 27 529 A A E -AC 2 33A 9 -25,-1.9 -25,-3.2 -2,-0.5 2,-0.1 -0.886 29.9-106.2-130.0 160.5 31.6 31.0 101.8 28 530 A D > - 0 0 32 4,-2.8 3,-1.4 -2,-0.3 4,-0.1 -0.283 46.6 -89.9 -79.9 167.8 29.9 31.6 105.1 29 531 A F T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 129.3 51.8 -47.1 -25.5 31.3 33.5 108.1 30 532 A E T 3 S- 0 0 116 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.763 122.6 -99.4 -86.7 -29.2 32.6 30.1 109.2 31 533 A G S < S+ 0 0 57 -3,-1.4 -2,-0.1 1,-0.4 -4,-0.0 0.552 76.3 130.6 119.3 13.9 34.4 29.1 106.1 32 534 A K - 0 0 115 -4,-0.1 -4,-2.8 1,-0.0 -1,-0.4 -0.760 60.6-107.7 -99.1 145.8 31.9 26.7 104.4 33 535 A P B -C 27 0A 77 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.435 26.8-145.7 -71.3 142.9 31.0 27.1 100.7 34 536 A L - 0 0 53 -8,-2.9 3,-0.4 26,-0.2 -8,-0.3 -0.950 13.8-158.3-113.3 127.7 27.5 28.4 99.8 35 537 A A + 0 0 57 -2,-0.5 22,-0.2 1,-0.2 23,-0.1 -0.526 68.4 32.6 -99.7 169.0 25.8 27.1 96.7 36 538 A G S S+ 0 0 42 20,-2.0 2,-0.4 1,-0.2 -1,-0.2 0.706 80.8 149.9 60.9 21.3 23.0 28.6 94.7 37 539 A Q - 0 0 34 -3,-0.4 19,-1.5 20,-0.2 2,-0.4 -0.718 48.4-122.6 -89.7 133.2 24.3 32.0 95.4 38 540 A E E -E 55 0B 116 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.586 32.8-176.2 -76.1 126.4 23.7 34.8 92.9 39 541 A V E -E 54 0B 0 15,-3.8 15,-2.5 -2,-0.4 2,-0.5 -0.986 15.9-157.5-128.7 132.0 27.0 36.4 91.7 40 542 A V E -EF 53 79B 42 39,-2.1 39,-2.3 -2,-0.4 2,-0.4 -0.924 15.2-170.7-105.8 128.2 27.4 39.3 89.3 41 543 A I E -EF 52 78B 0 11,-3.2 11,-2.4 -2,-0.5 2,-0.3 -0.983 2.9-174.2-125.1 128.4 30.8 39.5 87.6 42 544 A T E -EF 51 77B 46 35,-2.6 35,-2.3 -2,-0.4 2,-0.3 -0.892 6.5-164.0-123.7 150.2 32.1 42.4 85.5 43 545 A T - 0 0 8 7,-2.7 2,-0.2 -2,-0.3 33,-0.2 -0.793 6.7-165.6-122.9 168.4 35.2 43.1 83.4 44 546 A N > + 0 0 77 31,-0.5 3,-1.9 -2,-0.3 0, 0.0 -0.653 57.5 67.8-136.8-166.4 36.7 46.2 82.0 45 547 A N T 3 S- 0 0 67 1,-0.3 25,-0.2 -2,-0.2 -1,-0.1 0.763 125.0 -62.9 57.3 28.1 39.3 47.4 79.4 46 548 A G T 3 S+ 0 0 56 1,-0.2 23,-0.3 -3,-0.1 -1,-0.3 0.584 90.5 158.2 77.2 9.8 37.0 46.1 76.6 47 549 A A < - 0 0 3 -3,-1.9 21,-0.2 21,-0.1 -1,-0.2 -0.289 40.5 -98.7 -65.8 151.3 37.2 42.5 77.7 48 550 A L B S+H 67 0C 113 19,-2.4 19,-2.7 2,-0.1 2,-0.2 -0.973 102.2 34.6-120.8 134.0 34.5 40.1 76.6 49 551 A P S S- 0 0 50 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.651 71.4-169.6 -77.5 168.8 32.2 39.2 78.2 50 552 A N + 0 0 99 1,-0.3 -7,-2.7 -2,-0.2 2,-0.4 0.863 69.9 9.2 -88.7 -45.5 31.5 42.5 80.1 51 553 A K E +E 42 0B 130 -9,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.997 62.0 173.8-143.3 134.8 29.0 41.3 82.6 52 554 A I E -E 41 0B 31 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.4 -0.986 12.6-158.4-137.7 146.1 27.7 37.9 83.6 53 555 A T E +E 40 0B 88 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.988 27.8 143.3-126.6 137.8 25.4 36.8 86.4 54 556 A E E -E 39 0B 60 -15,-2.5 -15,-3.8 -2,-0.4 2,-0.3 -0.987 43.1-101.5-163.6 170.4 25.3 33.3 87.8 55 557 A K E -E 38 0B 136 -2,-0.3 -17,-0.2 -17,-0.2 2,-0.1 -0.750 39.9-106.0-104.3 150.4 24.9 31.1 90.8 56 558 A T - 0 0 7 -19,-1.5 -20,-2.0 -2,-0.3 6,-0.2 -0.425 35.4-126.2 -70.5 147.0 27.7 29.4 92.7 57 559 A D > - 0 0 55 4,-3.0 3,-1.8 -22,-0.2 -20,-0.2 0.063 44.6 -73.1 -78.7-164.6 28.1 25.6 92.1 58 560 A A T 3 S+ 0 0 84 1,-0.3 -23,-0.1 2,-0.1 -1,-0.1 0.729 135.4 53.2 -67.5 -20.6 28.1 22.9 94.9 59 561 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 -25,-0.1 -25,-0.1 0.184 122.3-107.9 -96.7 15.0 31.6 24.0 95.9 60 562 A G S < S+ 0 0 0 -3,-1.8 -34,-2.9 1,-0.2 2,-0.4 0.800 74.7 140.8 64.3 30.6 30.4 27.6 96.2 61 563 A V E -B 25 0A 16 -36,-0.2 -4,-3.0 -28,-0.1 2,-0.4 -0.860 31.2-179.4-111.4 141.4 32.3 28.6 93.1 62 564 A A E -B 24 0A 3 -38,-2.4 -38,-2.8 -2,-0.4 2,-0.2 -0.990 20.1-173.9-134.4 121.1 31.1 31.0 90.3 63 565 A R E -B 23 0A 101 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.718 17.0-159.0-121.0 170.7 33.6 31.5 87.5 64 566 A I E -B 22 0A 4 -42,-1.8 -42,-2.5 -2,-0.2 2,-0.5 -0.993 8.4-152.7-145.9 145.6 34.2 33.4 84.3 65 567 A A E -B 21 0A 57 -2,-0.3 2,-0.3 -44,-0.2 -44,-0.2 -0.987 27.0-177.6-117.0 126.1 36.3 32.9 81.2 66 568 A L E -B 20 0A 0 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.3 -0.949 13.8-170.7-132.6 152.1 37.3 36.2 79.6 67 569 A T B -H 48 0C 26 -19,-2.7 -19,-2.4 -2,-0.3 2,-0.3 -0.841 4.3-165.8-129.5 169.1 39.2 37.3 76.5 68 570 A N - 0 0 2 -50,-0.4 -52,-1.7 -55,-0.3 -51,-0.2 -0.941 25.9-161.9-162.3 135.2 40.5 40.6 75.3 69 571 A T S S+ 0 0 106 -23,-0.3 2,-0.5 -2,-0.3 -55,-0.1 0.429 84.3 78.9 -92.0 -3.5 41.9 42.1 72.0 70 572 A T S S- 0 0 59 -25,-0.2 21,-0.1 23,-0.0 -55,-0.1 -0.937 77.8-141.0-110.9 120.0 43.3 44.9 74.1 71 573 A D + 0 0 79 -2,-0.5 2,-0.3 -57,-0.2 21,-0.2 -0.165 58.3 56.7 -72.0 170.3 46.5 44.2 76.1 72 574 A G E S- G 0 91B 31 19,-2.8 19,-2.6 2,-0.1 2,-0.5 -0.700 95.4 -13.8 108.7-162.3 47.2 45.5 79.5 73 575 A V E - G 0 90B 62 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.685 51.3-170.8 -87.2 120.3 45.3 45.2 82.8 74 576 A T E - G 0 89B 0 15,-3.2 15,-2.2 -2,-0.5 2,-0.5 -0.944 12.9-148.9-111.6 125.6 41.8 43.8 82.9 75 577 A V E - G 0 88B 36 -2,-0.5 2,-0.5 13,-0.2 -31,-0.5 -0.810 9.3-166.6 -96.0 126.5 39.9 44.1 86.2 76 578 A V E - G 0 87B 0 11,-2.4 11,-1.7 -2,-0.5 2,-0.4 -0.966 9.6-174.2-117.1 127.0 37.4 41.4 87.0 77 579 A T E -FG 42 86B 23 -35,-2.3 -35,-2.6 -2,-0.5 2,-0.4 -0.942 9.9-159.2-121.1 139.4 35.1 42.1 89.9 78 580 A A E -FG 41 85B 0 7,-2.8 7,-2.1 -2,-0.4 2,-0.4 -0.909 5.4-164.6-118.0 147.1 32.4 40.0 91.6 79 581 A E E +FG 40 84B 75 -39,-2.3 -39,-2.1 -2,-0.4 2,-0.3 -0.998 12.8 166.7-133.7 133.3 29.6 41.2 93.7 80 582 A V E > S- G 0 83B 3 3,-2.5 3,-0.8 -2,-0.4 -41,-0.1 -0.919 70.1 -28.7-148.7 120.6 27.4 39.2 96.1 81 583 A E T 3 S- 0 0 159 -2,-0.3 2,-1.6 1,-0.3 3,-0.1 0.887 126.4 -43.1 38.4 62.6 25.0 40.5 98.7 82 584 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.437 115.3 113.5 87.7 -63.9 26.9 43.7 99.3 83 585 A Q E < - 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