==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 25-SEP-99 1D2O . COMPND 2 MOLECULE: COLLAGEN ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.C.S.DEIVANAYAGAM,R.L.RICH,M.HOOK,S.V.L.NARAYANA . 374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 . 0 0.0 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 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 2 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 . 0 4 0 0 4 10 1 1 0 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 . 4 4 4 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 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 1 535 A E 0 0 148 0, 0.0 55,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -74.9 38.0 57.8 -27.3 2 536 A T E +A 55 0A 79 53,-0.3 2,-0.2 54,-0.1 51,-0.1 -0.968 360.0 163.0-132.2 147.7 35.4 59.6 -25.3 3 537 A T E -A 54 0A 49 51,-2.8 51,-2.6 -2,-0.3 2,-0.3 -0.801 23.6-129.0-145.1-175.8 35.4 62.7 -23.0 4 538 A S E - 0 0 38 -2,-0.2 2,-0.6 49,-0.2 48,-0.2 -0.993 6.3-141.9-144.8 148.9 33.1 65.2 -21.4 5 539 A S E +A 51 0A 18 46,-1.7 46,-1.9 -2,-0.3 2,-0.3 -0.893 27.9 175.8-117.0 100.7 33.0 69.0 -21.2 6 540 A I E +A 50 0A 89 -2,-0.6 2,-0.3 44,-0.2 44,-0.2 -0.750 13.1 132.1-102.1 150.0 31.8 70.2 -17.8 7 541 A G E -A 49 0A 8 42,-2.2 42,-2.2 -2,-0.3 2,-0.3 -0.969 34.4-127.4-173.9-175.8 31.7 73.8 -16.6 8 542 A E E -Ab 48 83A 69 74,-0.6 76,-2.6 -2,-0.3 2,-0.4 -0.957 14.3-123.7-147.5 165.9 29.6 76.5 -15.0 9 543 A K E - b 0 84A 8 38,-2.7 2,-0.4 -2,-0.3 76,-0.2 -0.923 23.8-164.4-113.1 137.4 28.3 79.9 -15.4 10 544 A V E - b 0 85A 56 74,-2.8 76,-2.3 -2,-0.4 2,-0.5 -0.987 11.7-139.8-125.3 132.7 29.0 82.6 -12.8 11 545 A W E - b 0 86A 34 -2,-0.4 2,-0.6 74,-0.2 4,-0.2 -0.803 11.7-171.0 -94.6 128.5 27.2 85.9 -12.5 12 546 A D E + b 0 87A 87 74,-2.9 76,-2.1 -2,-0.5 -2,-0.0 -0.786 47.0 115.9-115.9 81.4 29.3 89.0 -11.6 13 547 A D S > S- 0 0 8 -2,-0.6 4,-0.9 74,-0.2 5,-0.4 -0.078 91.4 -91.6-144.3 40.3 26.5 91.5 -11.0 14 548 A K T >4 S- 0 0 140 1,-0.2 3,-0.9 2,-0.2 -2,-0.1 0.909 89.7 -53.4 49.9 47.5 26.6 92.6 -7.4 15 549 A D T 34 S- 0 0 153 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.903 97.1 -66.1 54.2 45.8 24.2 89.8 -6.4 16 550 A N T >4 S+ 0 0 51 -3,-0.3 3,-1.6 1,-0.1 -1,-0.2 0.787 81.0 160.3 48.2 37.6 21.6 90.9 -9.0 17 551 A Q T << S+ 0 0 82 -4,-0.9 -1,-0.1 -3,-0.9 -3,-0.1 0.822 74.9 48.7 -56.4 -33.7 21.0 94.2 -7.2 18 552 A D T 3 S- 0 0 29 -5,-0.4 -1,-0.3 1,-0.0 -2,-0.1 0.582 105.4-131.8 -83.7 -8.8 19.6 95.7 -10.4 19 553 A G S < S+ 0 0 49 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.0 0.701 70.6 123.2 67.3 20.3 17.4 92.7 -10.9 20 554 A K + 0 0 112 -7,-0.1 -1,-0.1 54,-0.1 -3,-0.1 0.490 32.0 119.9 -90.6 -4.8 18.4 92.4 -14.6 21 555 A R - 0 0 69 -5,-0.1 2,-0.1 -8,-0.1 -10,-0.0 -0.400 59.1-132.9 -65.7 133.4 19.7 88.8 -14.3 22 556 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.387 13.7-119.7 -82.5 163.7 17.8 86.4 -16.7 23 557 A E S S+ 0 0 148 1,-0.1 20,-0.5 -2,-0.1 2,-0.3 0.607 89.8 11.2 -77.8 -13.7 16.5 82.9 -15.7 24 558 A K E -D 42 0B 115 18,-0.1 2,-0.3 19,-0.1 18,-0.2 -0.995 53.5-160.2-163.2 156.8 18.6 81.1 -18.3 25 559 A V E -D 41 0B 5 16,-1.7 16,-3.2 -2,-0.3 2,-0.5 -0.921 23.7-127.2-134.3 158.4 21.5 81.3 -20.7 26 560 A S E -D 40 0B 24 -2,-0.3 44,-2.3 44,-0.3 2,-0.4 -0.947 18.0-158.7-116.8 121.9 22.3 79.0 -23.6 27 561 A V E -DE 39 69B 0 12,-2.8 12,-1.9 -2,-0.5 2,-0.4 -0.810 5.1-154.5-100.7 134.9 25.7 77.5 -24.0 28 562 A N E -DE 38 68B 0 40,-2.8 40,-1.9 -2,-0.4 2,-0.4 -0.880 4.9-146.6-110.3 138.9 27.0 76.2 -27.3 29 563 A L E -DE 37 67B 0 8,-2.5 7,-1.8 -2,-0.4 8,-1.0 -0.865 14.9-161.4-102.1 132.7 29.6 73.5 -27.7 30 564 A L E -DE 35 66B 0 36,-3.1 36,-1.8 -2,-0.4 2,-0.7 -0.964 10.2-161.2-120.2 134.7 32.0 73.8 -30.7 31 565 A A E > S-DE 34 65B 21 3,-2.6 3,-1.2 -2,-0.4 34,-0.2 -0.943 86.0 -22.9-112.7 106.0 34.0 71.0 -32.2 32 566 A N T 3 S- 0 0 51 32,-2.6 69,-0.5 -2,-0.7 -1,-0.2 0.915 131.0 -47.0 57.8 44.9 36.8 72.6 -34.3 33 567 A G T 3 S+ 0 0 6 31,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.454 114.4 116.4 79.6 1.3 34.8 75.8 -34.6 34 568 A E E < -D 31 0B 109 -3,-1.2 -3,-2.6 65,-0.1 2,-0.7 -0.911 66.4-126.8-109.8 126.3 31.5 74.1 -35.6 35 569 A K E +D 30 0B 101 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.561 41.1 157.5 -71.3 110.0 28.5 74.3 -33.4 36 570 A V E + 0 0 72 -7,-1.8 2,-0.3 -2,-0.7 -1,-0.2 0.673 57.8 18.1-107.3 -23.3 27.3 70.8 -32.7 37 571 A K E -D 29 0B 103 -8,-1.0 -8,-2.5 2,-0.0 2,-0.3 -0.985 53.6-162.6-149.6 159.3 25.2 71.1 -29.4 38 572 A T E -D 28 0B 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.980 4.7-174.0-141.7 151.4 23.4 73.5 -27.2 39 573 A L E -D 27 0B 68 -12,-1.9 -12,-2.8 -2,-0.3 2,-0.5 -0.992 24.3-129.6-147.3 138.6 22.1 73.4 -23.6 40 574 A D E -D 26 0B 88 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.789 25.9-153.3 -88.4 128.2 20.1 75.8 -21.5 41 575 A V E +D 25 0B 0 -16,-3.2 -16,-1.7 -2,-0.5 2,-0.2 -0.924 25.8 157.1-107.6 124.2 21.8 76.5 -18.2 42 576 A T E > > -D 24 0B 22 -2,-0.5 5,-3.6 6,-0.3 3,-0.6 -0.708 57.4 -94.5-133.5-177.0 19.7 77.5 -15.3 43 577 A S G > 5S+ 0 0 58 -20,-0.5 3,-2.2 3,-0.3 -19,-0.1 0.828 118.2 68.3 -69.8 -33.3 19.5 77.6 -11.5 44 578 A E G 3 5S+ 0 0 181 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.810 107.3 38.5 -55.7 -30.3 17.6 74.3 -11.6 45 579 A T G X 5S- 0 0 57 -3,-0.6 3,-0.6 3,-0.1 -1,-0.3 0.306 122.8-112.7-100.7 6.1 20.9 72.8 -12.8 46 580 A N T < 5 - 0 0 125 -3,-2.2 -3,-0.3 1,-0.2 -2,-0.1 0.800 64.4 -65.3 66.7 32.9 22.7 75.1 -10.3 47 581 A W T 3 S-F 61 0C 51 3,-3.2 3,-0.8 -2,-0.4 4,-0.0 -0.837 86.9 -33.3-116.6 87.9 38.3 63.0 -35.3 59 593 A E T 3 S- 0 0 160 -2,-0.6 2,-1.5 1,-0.3 -1,-0.2 0.991 127.2 -41.2 63.0 60.0 40.0 60.5 -37.6 60 594 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 0, 0.0 -0.363 120.2 103.9 87.3 -58.2 43.2 60.5 -35.6 61 595 A K E < S-F 58 0C 68 -2,-1.5 -3,-3.2 -3,-0.8 2,-0.6 -0.172 78.4-112.8 -58.1 149.5 43.3 64.3 -35.0 62 596 A K E -F 57 0C 90 -5,-0.3 -5,-0.3 -3,-0.1 2,-0.2 -0.767 30.7-125.5 -88.0 119.8 42.3 65.6 -31.5 63 597 A I - 0 0 14 -7,-2.6 2,-0.8 -2,-0.6 -1,-0.0 -0.439 16.8-137.2 -66.7 133.7 39.0 67.5 -31.6 64 598 A E - 0 0 63 -2,-0.2 -32,-2.6 73,-0.0 -31,-0.5 -0.828 20.8-160.0 -96.4 107.6 39.3 71.0 -30.1 65 599 A Y E +E 31 0B 39 -2,-0.8 2,-0.3 -34,-0.2 -34,-0.2 -0.716 18.1 162.7 -91.3 135.9 36.3 71.7 -28.0 66 600 A T E -E 30 0B 22 -36,-1.8 -36,-3.1 -2,-0.4 2,-0.4 -0.932 23.3-139.7-141.8 164.2 35.3 75.3 -27.0 67 601 A V E -E 29 0B 12 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.2 -0.965 14.7-178.2-131.4 147.4 32.1 76.9 -25.7 68 602 A T E -E 28 0B 0 -40,-1.9 -40,-2.8 -2,-0.4 2,-0.4 -0.848 18.8-133.5-133.1 168.8 30.3 80.1 -26.4 69 603 A E E -E 27 0B 3 108,-0.6 -42,-0.2 -2,-0.3 3,-0.1 -0.994 23.8-111.3-131.9 132.5 27.2 81.7 -25.0 70 604 A D - 0 0 48 -44,-2.3 -44,-0.3 -2,-0.4 105,-0.0 -0.371 58.9 -80.0 -59.6 137.3 24.3 83.2 -26.8 71 605 A H - 0 0 48 1,-0.1 2,-0.5 -46,-0.1 -1,-0.1 0.011 43.7-152.1 -40.4 134.8 24.3 87.0 -26.2 72 606 A V > - 0 0 14 3,-0.4 3,-2.0 -3,-0.1 22,-0.2 -0.970 25.4-110.1-117.0 125.3 22.8 88.1 -22.9 73 607 A K T 3 S- 0 0 148 -2,-0.5 3,-0.1 1,-0.3 20,-0.1 -0.287 97.5 -0.4 -56.4 127.0 21.3 91.6 -22.8 74 608 A D T 3 S+ 0 0 11 1,-0.2 15,-2.9 18,-0.1 2,-0.4 0.578 108.7 110.5 69.5 12.0 23.4 94.0 -20.7 75 609 A Y E < -C 88 0A 0 -3,-2.0 19,-0.7 13,-0.2 2,-0.6 -0.957 58.2-146.8-122.4 139.0 26.0 91.5 -19.8 76 610 A T E -C 87 0A 15 11,-2.8 11,-2.7 -2,-0.4 2,-0.4 -0.898 25.2-139.1-101.5 124.9 29.6 91.3 -21.0 77 611 A T E -C 86 0A 8 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.687 20.4-176.3 -94.6 137.8 30.7 87.7 -21.4 78 612 A D E -C 85 0A 71 7,-2.8 7,-3.5 -2,-0.4 2,-0.5 -0.985 8.4-163.3-129.5 120.8 34.1 86.3 -20.4 79 613 A I E -C 84 0A 45 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.901 8.4-178.2-107.3 126.4 34.8 82.7 -21.2 80 614 A N E > -C 83 0A 116 3,-3.0 3,-2.1 -2,-0.5 -2,-0.0 -0.808 67.4 -60.7-125.5 89.0 37.7 81.0 -19.5 81 615 A G T 3 S- 0 0 69 -2,-0.5 2,-0.1 1,-0.3 3,-0.1 0.875 119.9 -22.4 34.8 80.2 38.0 77.4 -20.7 82 616 A T T 3 S+ 0 0 40 -15,-0.1 2,-0.7 1,-0.1 -74,-0.6 -0.007 118.3 100.4 84.6 -31.0 34.6 76.0 -19.7 83 617 A T E < -bC 8 80A 47 -3,-2.1 -3,-3.0 -76,-0.2 2,-0.6 -0.808 58.5-162.2 -92.5 114.6 34.0 78.6 -17.0 84 618 A I E -bC 9 79A 0 -76,-2.6 -74,-2.8 -2,-0.7 2,-0.5 -0.864 5.1-168.6-103.7 119.6 31.6 81.3 -18.3 85 619 A T E -bC 10 78A 24 -7,-3.5 -7,-2.8 -2,-0.6 2,-0.6 -0.906 5.5-163.9-111.0 128.5 31.4 84.7 -16.5 86 620 A N E -bC 11 77A 0 -76,-2.3 -74,-2.9 -2,-0.5 2,-0.5 -0.934 7.3-163.2-112.7 113.4 28.8 87.3 -17.2 87 621 A K E -bC 12 76A 74 -11,-2.7 -11,-2.8 -2,-0.6 2,-0.5 -0.830 25.2-118.8 -98.3 130.6 29.5 90.7 -15.8 88 622 A Y E + C 0 75A 43 -76,-2.1 -13,-0.2 -2,-0.5 -14,-0.1 -0.548 44.0 161.3 -68.9 116.2 26.6 93.2 -15.6 89 623 A T > - 0 0 32 -15,-2.9 3,-2.5 -2,-0.5 -15,-0.1 -0.675 31.2-144.1-139.0 79.3 27.5 96.1 -17.9 90 624 A P T 3 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 -15,-0.0 -0.166 83.4 9.5 -50.2 128.1 24.3 98.0 -18.6 91 625 A G T 3 S+ 0 0 0 1,-0.3 56,-2.4 225,-0.1 57,-0.5 0.277 121.1 79.7 85.4 -11.2 24.2 99.4 -22.1 92 626 A E E < +G 146 0D 50 -3,-2.5 -3,-0.3 54,-0.2 2,-0.3 -0.770 50.1 159.4-123.3 169.0 27.3 97.4 -23.1 93 627 A T E -G 145 0D 0 52,-1.5 52,-2.0 -2,-0.3 51,-0.3 -0.942 28.8-100.6-168.0-173.1 28.1 93.9 -24.1 94 628 A S E - 0 0 4 -19,-0.7 2,-0.3 -2,-0.3 49,-0.2 -0.719 14.9-148.1-122.3 172.8 30.6 91.5 -25.8 95 629 A A E -G 142 0D 0 47,-1.9 47,-2.7 -2,-0.2 2,-0.4 -0.995 9.9-158.3-143.1 136.1 31.0 89.7 -29.1 96 630 A T E -G 141 0D 4 80,-2.4 83,-1.8 -2,-0.3 2,-0.4 -0.949 5.8-169.8-121.1 135.9 32.7 86.3 -29.7 97 631 A V E -Gh 140 179D 0 43,-2.7 43,-1.5 -2,-0.4 2,-0.4 -0.984 3.2-176.6-128.4 134.6 34.1 85.0 -33.0 98 632 A T E -Gh 139 180D 1 81,-1.9 83,-2.7 -2,-0.4 2,-0.5 -0.947 21.3-132.7-125.4 145.8 35.3 81.5 -33.8 99 633 A K E - 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