==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 28-NOV-05 2F68 . COMPND 2 MOLECULE: COLLAGEN ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Y.ZONG,S.V.L.NARAYANA . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 41.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 1.3 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 . 1 0.3 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 . 43 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 0 0 1 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 3 3 3 5 2 1 0 1 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 0 1 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 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 27 X H 0 0 152 0, 0.0 2,-0.5 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 -84.2 13.0 15.0 23.7 2 28 X G + 0 0 71 2,-0.0 2,-0.3 0, 0.0 42,-0.0 -0.704 360.0 11.9 84.4-126.4 12.4 17.8 26.2 3 29 X S S S- 0 0 116 -2,-0.5 2,-0.3 1,-0.1 0, 0.0 -0.654 83.9-107.9 -88.7 144.7 15.2 18.4 28.6 4 30 X A - 0 0 49 -2,-0.3 2,-0.6 41,-0.1 41,-0.2 -0.543 28.8-135.3 -74.7 130.9 18.7 17.0 28.1 5 31 X R E -a 45 0A 104 39,-0.6 41,-2.9 -2,-0.3 2,-0.8 -0.787 9.4-138.6 -92.8 118.1 19.6 14.2 30.5 6 32 X D E +a 46 0A 85 -2,-0.6 3,-0.2 39,-0.2 41,-0.2 -0.668 29.9 168.4 -77.1 109.3 23.1 14.4 32.0 7 33 X I > + 0 0 1 39,-2.1 4,-2.7 -2,-0.8 5,-0.4 0.125 43.1 106.2-110.0 17.8 24.4 10.8 31.9 8 34 X S H > S+ 0 0 10 38,-0.5 4,-1.1 1,-0.2 121,-0.6 0.861 78.1 51.5 -66.9 -38.9 28.1 11.5 32.7 9 35 X S H 4 S+ 0 0 68 119,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.751 120.8 34.0 -70.2 -25.2 27.9 10.3 36.3 10 36 X T H 4 S+ 0 0 62 -3,-0.3 28,-0.3 -4,-0.1 -2,-0.2 0.825 125.3 33.1 -98.4 -39.5 26.4 6.9 35.2 11 37 X N H < S+ 0 0 0 -4,-2.7 24,-1.9 27,-0.1 2,-0.2 0.731 86.0 100.0 -99.5 -26.2 27.9 6.1 31.8 12 38 X V E < +E 34 0B 12 -4,-1.1 22,-0.3 -5,-0.4 117,-0.2 -0.464 38.4 172.5 -67.5 129.9 31.5 7.4 31.8 13 39 X T E + 0 0 52 20,-2.3 2,-0.3 1,-0.3 21,-0.2 0.722 60.3 13.4-110.4 -33.1 34.0 4.7 32.4 14 40 X D E -E 33 0B 76 19,-1.1 19,-2.7 116,-0.1 2,-0.4 -0.990 49.1-173.0-151.7 140.1 37.4 6.2 31.9 15 41 X L E +E 32 0B 7 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.949 18.1 169.6-135.4 113.6 38.9 9.7 31.5 16 42 X T E -E 31 0B 62 15,-2.4 15,-3.2 -2,-0.4 2,-0.5 -0.968 18.7-161.9-128.4 140.2 42.6 10.0 30.5 17 43 X V E -E 30 0B 11 -2,-0.4 13,-0.2 13,-0.2 116,-0.1 -0.979 21.1-140.6-122.5 119.6 44.8 13.0 29.4 18 44 X S E S+E 29 0B 88 11,-2.3 11,-2.1 -2,-0.5 2,-0.1 -0.996 82.3 32.0-130.8 130.8 48.1 12.3 27.7 19 45 X P S S- 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.541 71.0-167.1 -76.3 156.5 50.6 13.8 28.1 20 46 X S S S+ 0 0 67 1,-0.2 115,-3.5 -2,-0.1 2,-0.5 0.617 74.8 57.7 -84.4 -15.7 50.1 14.6 31.8 21 47 X K E +i 135 0C 128 113,-0.2 2,-0.3 115,-0.1 115,-0.2 -0.964 68.2 161.3-122.5 116.1 52.9 17.2 31.9 22 48 X I E -i 136 0C 10 113,-3.1 115,-2.4 -2,-0.5 2,-0.1 -0.891 32.7-117.4-131.2 159.6 52.9 20.1 29.5 23 49 X E > - 0 0 124 -2,-0.3 3,-1.9 113,-0.2 2,-0.4 -0.306 54.9 -67.0 -85.2 174.8 54.5 23.6 29.1 24 50 X D T 3 S+ 0 0 40 1,-0.3 86,-0.2 114,-0.2 -1,-0.1 -0.524 127.2 10.4 -67.7 120.2 52.7 27.0 29.1 25 51 X G T 3 S+ 0 0 31 84,-2.5 -1,-0.3 -2,-0.4 85,-0.2 0.651 101.4 146.7 81.6 18.6 50.6 27.1 26.0 26 52 X G E < - F 0 109B 17 -3,-1.9 83,-2.3 83,-0.7 2,-0.4 -0.427 45.8-119.5 -86.9 161.4 51.2 23.4 25.3 27 53 X K E + F 0 108B 75 81,-0.2 2,-0.3 -2,-0.1 81,-0.2 -0.817 30.5 172.3-105.0 139.8 48.9 20.9 23.7 28 54 X T E - F 0 107B 1 79,-2.3 79,-3.1 -2,-0.4 2,-0.5 -0.993 27.3-121.9-145.4 150.3 47.5 17.7 25.3 29 55 X T E -EF 18 106B 41 -11,-2.1 -11,-2.3 -2,-0.3 2,-0.4 -0.794 17.8-158.4-101.6 129.2 45.0 15.1 24.3 30 56 X V E -EF 17 105B 0 75,-3.5 75,-2.4 -2,-0.5 2,-0.4 -0.893 6.8-167.3-106.2 130.8 41.9 14.2 26.4 31 57 X K E -EF 16 104B 75 -15,-3.2 -15,-2.4 -2,-0.4 2,-0.5 -0.978 4.3-174.5-122.4 127.4 40.1 10.9 26.0 32 58 X M E -EF 15 103B 0 71,-2.0 71,-2.0 -2,-0.4 2,-0.3 -0.982 6.2-167.9-122.4 123.9 36.7 10.1 27.4 33 59 X T E +EF 14 102B 31 -19,-2.7 -20,-2.3 -2,-0.5 -19,-1.1 -0.825 7.3 178.4-112.5 151.8 35.1 6.6 27.2 34 60 X F E +EF 12 101B 4 67,-2.6 67,-2.6 -2,-0.3 2,-0.3 -0.985 9.6 180.0-148.2 154.1 31.6 5.4 27.9 35 61 X D E - F 0 100B 42 -24,-1.9 3,-0.4 -2,-0.3 65,-0.2 -0.953 36.7-118.1-146.4 168.5 29.3 2.4 27.9 36 62 X D S S+ 0 0 33 63,-1.9 62,-0.1 -2,-0.3 64,-0.1 -0.055 76.2 113.9 -98.6 32.5 25.6 1.5 28.7 37 63 X K S S+ 0 0 174 -26,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.901 84.5 34.7 -67.7 -43.8 26.5 -0.9 31.5 38 64 X N S S- 0 0 118 -3,-0.4 2,-0.3 -28,-0.3 -1,-0.2 0.632 135.5 -1.7 -87.9 -16.5 24.9 1.2 34.2 39 65 X G S S- 0 0 27 -4,-0.1 -1,-0.3 -29,-0.1 2,-0.2 -0.868 76.1 -98.8-175.5 140.5 22.1 2.6 32.1 40 66 X K - 0 0 111 -2,-0.3 2,-0.4 -3,-0.1 54,-0.1 -0.420 40.7-121.1 -66.1 130.1 20.6 2.5 28.6 41 67 X I - 0 0 2 -2,-0.2 2,-0.2 52,-0.1 55,-0.1 -0.617 38.3-171.5 -76.6 124.2 21.6 5.5 26.5 42 68 X Q > - 0 0 88 -2,-0.4 3,-1.3 -37,-0.1 2,-0.3 -0.501 32.3 -71.4-111.2 176.6 18.5 7.4 25.3 43 69 X N T 3 S+ 0 0 47 1,-0.2 47,-0.2 -2,-0.2 48,-0.1 -0.566 118.3 19.3 -70.8 126.5 17.6 10.2 22.9 44 70 X G T 3 S+ 0 0 1 45,-2.6 -39,-0.6 -2,-0.3 -1,-0.2 0.371 87.5 144.4 94.5 -2.7 18.7 13.6 24.2 45 71 X D E < -a 5 0A 3 -3,-1.3 44,-2.3 -41,-0.2 2,-0.4 -0.459 30.3-162.8 -70.1 138.4 21.3 12.2 26.6 46 72 X M E -aB 6 88A 38 -41,-2.9 -39,-2.1 42,-0.2 2,-0.5 -0.977 16.3-155.4-131.2 140.7 24.5 14.2 27.1 47 73 X I E - B 0 87A 0 40,-2.1 40,-2.7 -2,-0.4 2,-0.4 -0.960 19.2-155.7-111.9 123.7 28.0 13.5 28.4 48 74 X K E - B 0 86A 103 -2,-0.5 2,-0.5 38,-0.2 80,-0.2 -0.826 10.9-162.4-106.2 137.1 29.9 16.6 29.7 49 75 X V E - B 0 85A 3 36,-2.7 36,-1.7 -2,-0.4 2,-0.3 -0.967 20.8-169.2-115.8 113.4 33.7 17.0 30.0 50 76 X A B +J 126 0C 47 76,-3.1 76,-2.7 -2,-0.5 34,-0.1 -0.753 12.7 166.4-110.1 150.7 34.6 19.9 32.3 51 77 X W - 0 0 17 32,-0.5 74,-0.2 -2,-0.3 2,-0.1 -0.975 45.9 -75.9-153.4 158.6 37.9 21.8 33.1 52 78 X P + 0 0 36 0, 0.0 7,-2.7 0, 0.0 3,-0.1 -0.399 37.5 178.3 -61.7 131.3 39.1 25.0 34.8 53 79 X T + 0 0 48 1,-0.2 2,-0.3 5,-0.2 5,-0.1 0.531 66.0 20.2-108.7 -14.8 38.5 28.1 32.6 54 80 X S S S+ 0 0 92 3,-0.2 2,-0.5 4,-0.0 3,-0.3 -0.979 90.0 52.1-152.4 159.8 39.8 30.7 35.1 55 81 X G S S- 0 0 52 -2,-0.3 3,-0.1 1,-0.2 65,-0.0 -0.966 110.6 -17.7 121.9-123.6 42.1 31.1 38.1 56 82 X T S S+ 0 0 44 -2,-0.5 56,-1.7 1,-0.2 57,-1.2 0.824 132.8 31.9 -88.7 -39.1 45.6 29.8 38.3 57 83 X V E -G 111 0B 5 -3,-0.3 2,-0.4 54,-0.2 -1,-0.2 -0.947 67.5-160.8-123.3 144.3 45.4 27.3 35.4 58 84 X K E -G 110 0B 47 52,-2.5 52,-2.4 -2,-0.4 2,-0.5 -0.987 1.6-163.2-128.6 126.3 43.3 27.6 32.2 59 85 X I E -G 109 0B 0 -7,-2.7 2,-0.5 -2,-0.4 50,-0.2 -0.937 8.0-167.6-108.5 126.4 42.3 24.7 29.9 60 86 X E E -G 108 0B 26 48,-2.8 48,-2.8 -2,-0.5 2,-0.5 -0.949 11.4-145.7-120.4 113.3 41.0 25.7 26.4 61 87 X G E -G 107 0B 0 -2,-0.5 2,-0.3 20,-0.5 46,-0.2 -0.646 23.3-120.2 -79.2 124.1 39.4 23.1 24.2 62 88 X Y - 0 0 3 44,-1.5 2,-0.4 -2,-0.5 92,-0.2 -0.482 37.3-104.0 -66.5 125.9 40.1 23.5 20.5 63 89 X S + 0 0 28 90,-2.3 2,-0.3 -2,-0.3 93,-0.2 -0.334 60.7 149.3 -61.4 108.7 36.8 24.0 18.6 64 90 X K E -C 80 0A 52 16,-1.1 16,-2.9 -2,-0.4 2,-0.5 -0.992 35.5-156.2-142.3 148.3 35.8 20.7 16.8 65 91 X T E +C 79 0A 87 -2,-0.3 14,-0.2 14,-0.2 227,-0.1 -0.931 19.3 176.1-127.5 106.3 32.6 18.9 15.8 66 92 X V E -C 78 0A 22 12,-2.4 12,-3.1 -2,-0.5 2,-0.1 -0.947 22.1-135.0-116.2 122.6 33.0 15.1 15.3 67 93 X P E -C 77 0A 57 0, 0.0 2,-0.6 0, 0.0 10,-0.3 -0.431 9.6-133.3 -75.8 148.3 30.1 12.9 14.5 68 94 X L E -C 76 0A 1 8,-2.7 7,-3.0 -2,-0.1 8,-1.6 -0.912 34.0-172.9-100.9 113.8 29.4 9.5 16.3 69 95 X T E -C 74 0A 70 -2,-0.6 227,-0.5 225,-0.4 2,-0.4 -0.896 23.4-173.5-120.7 137.7 28.6 6.9 13.6 70 96 X V E > S-C 73 0A 22 3,-2.9 3,-1.8 -2,-0.4 227,-0.1 -0.976 82.8 -21.7-125.8 115.8 27.4 3.3 13.5 71 97 X K T 3 S- 0 0 212 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.877 128.5 -48.7 52.4 45.7 27.3 1.6 10.1 72 98 X G T 3 S+ 0 0 73 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.269 116.7 114.3 83.6 -11.1 27.2 4.9 8.2 73 99 X E E < -C 70 0A 82 -3,-1.8 -3,-2.9 19,-0.1 2,-0.5 -0.832 66.6-130.9 -99.7 124.6 24.4 6.2 10.5 74 100 X Q E +C 69 0A 84 -2,-0.5 -5,-0.3 -5,-0.2 18,-0.2 -0.618 34.0 164.9 -75.3 117.9 25.1 9.2 12.8 75 101 X V E + 0 0 0 -7,-3.0 15,-2.2 -2,-0.5 18,-0.3 0.563 62.6 5.0-109.2 -16.0 23.9 8.4 16.3 76 102 X G E -CD 68 89A 0 -8,-1.6 -8,-2.7 13,-0.2 2,-0.3 -0.918 60.9-131.1-156.1 179.8 25.6 11.1 18.2 77 103 X Q E -CD 67 88A 78 11,-1.8 11,-2.2 -10,-0.3 2,-0.7 -0.991 6.2-147.8-147.9 135.3 27.8 14.2 18.1 78 104 X A E -CD 66 87A 3 -12,-3.1 -12,-2.4 -2,-0.3 2,-0.6 -0.899 18.8-175.3-105.1 108.0 31.0 15.4 19.8 79 105 X V E -CD 65 86A 45 7,-2.7 7,-2.8 -2,-0.7 2,-0.5 -0.912 2.9-169.2-108.4 113.4 31.1 19.2 20.3 80 106 X I E +CD 64 85A 7 -16,-2.9 -16,-1.1 -2,-0.6 5,-0.2 -0.894 9.3 174.7-105.5 126.7 34.3 20.6 21.7 81 107 X T E > - D 0 84A 59 3,-3.1 3,-1.0 -2,-0.5 -20,-0.5 -0.882 46.8-102.3-126.1 159.0 34.4 24.3 22.9 82 108 X P T 3 S+ 0 0 26 0, 0.0 -21,-0.3 0, 0.0 -20,-0.1 0.623 123.7 34.6 -53.5 -15.7 37.1 26.4 24.7 83 109 X D T 3 S- 0 0 100 1,-0.3 -32,-0.5 -23,-0.2 2,-0.3 0.489 128.3 -5.4-119.0 -9.4 35.1 26.0 27.9 84 110 X G E < - D 0 81A 14 -3,-1.0 -3,-3.1 -23,-0.1 2,-0.4 -0.973 51.7-127.5-176.0 162.7 33.6 22.5 27.6 85 111 X A E -BD 49 80A 2 -36,-1.7 -36,-2.7 -2,-0.3 2,-0.4 -0.993 24.5-169.2-126.0 130.6 33.0 19.3 25.7 86 112 X T E -BD 48 79A 35 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.7 -0.973 13.5-159.8-127.9 129.4 29.6 17.8 25.1 87 113 X I E -BD 47 78A 5 -40,-2.7 -40,-2.1 -2,-0.4 2,-0.5 -0.921 18.8-172.6-106.3 109.0 28.5 14.4 23.7 88 114 X T E -BD 46 77A 48 -11,-2.2 -11,-1.8 -2,-0.7 2,-0.4 -0.896 7.9-154.6-110.1 128.5 24.9 14.5 22.6 89 115 X F E - D 0 76A 2 -44,-2.3 -45,-2.6 -2,-0.5 -13,-0.2 -0.805 8.1-156.8-101.8 140.0 23.0 11.4 21.4 90 116 X N > - 0 0 45 -15,-2.2 3,-1.2 -2,-0.4 4,-0.2 -0.186 42.1 -78.0 -98.7-165.6 20.0 11.5 19.0 91 117 X D G > S+ 0 0 94 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.662 118.4 71.9 -71.3 -17.8 17.1 9.1 18.4 92 118 X K G 3 S+ 0 0 73 1,-0.2 3,-0.3 -18,-0.2 -1,-0.2 0.554 85.7 66.2 -77.1 -8.9 19.2 6.7 16.4 93 119 X V G X S+ 0 0 1 -3,-1.2 3,-0.8 -18,-0.3 -1,-0.2 0.634 85.7 71.5 -85.2 -15.6 21.0 5.5 19.5 94 120 X E T < S+ 0 0 91 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.710 91.3 57.2 -74.5 -22.2 17.9 3.9 20.9 95 121 X K T 3 S+ 0 0 92 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.2 0.586 94.3 87.9 -81.6 -11.8 17.9 1.1 18.3 96 122 X L < - 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