==== 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/STRUCTURAL PROTEIN 28-NOV-05 2F6A . COMPND 2 MOLECULE: COLLAGEN ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Y.ZONG,S.L.V.NARAYANA . 1378 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 515 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.1 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 0.1 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 . 179 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 7 0 0 0 4 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 . 5 1 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 PARALLEL BRIDGES PER LADDER . 10 1 7 12 18 15 3 5 7 2 1 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 3 7 7 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 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 28 A G 0 0 140 0, 0.0 2,-0.2 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 74.1 5.9 18.3 62.2 2 29 A S - 0 0 111 40,-0.1 2,-0.3 1,-0.0 42,-0.0 -0.529 360.0-157.4 -86.2 152.6 4.2 15.5 64.1 3 30 A A - 0 0 62 -2,-0.2 2,-0.4 84,-0.0 41,-0.2 -0.863 9.4-149.2-132.9 161.4 1.1 13.7 62.8 4 31 A R E -a 44 0A 117 39,-1.6 41,-2.2 -2,-0.3 2,-1.1 -0.986 16.6-138.5-131.6 140.4 -1.8 11.6 64.0 5 32 A D E +a 45 0A 85 -2,-0.4 3,-0.5 39,-0.2 41,-0.2 -0.785 34.3 164.8 -95.0 89.7 -3.9 8.8 62.4 6 33 A I >> + 0 0 4 39,-1.6 4,-1.5 -2,-1.1 3,-1.1 0.160 40.2 106.9 -95.5 17.1 -7.3 10.0 63.5 7 34 A S H 3> S+ 0 0 13 38,-0.6 4,-1.4 1,-0.2 121,-0.5 0.861 75.2 56.3 -62.4 -38.1 -9.3 7.8 61.1 8 35 A S H 34 S+ 0 0 61 -3,-0.5 -1,-0.2 119,-0.3 -2,-0.1 0.561 116.2 35.7 -73.0 -9.2 -10.4 5.4 63.8 9 36 A T H <4 S+ 0 0 69 -3,-1.1 -1,-0.2 118,-0.0 -2,-0.2 0.610 122.9 35.3-117.2 -20.5 -12.0 8.2 65.9 10 37 A N H < S+ 0 0 4 -4,-1.5 24,-2.2 -3,-0.1 2,-0.3 0.583 79.7 110.0-118.8 -14.9 -13.5 10.7 63.4 11 38 A V E < +E 33 0B 17 -4,-1.4 22,-0.3 -5,-0.2 117,-0.2 -0.500 35.5 178.1 -70.4 129.0 -14.8 8.7 60.4 12 39 A T E - 0 0 46 20,-3.2 2,-0.3 1,-0.3 21,-0.2 0.899 61.0 -0.1 -94.4 -59.8 -18.6 8.7 60.2 13 40 A D E -E 32 0B 81 19,-0.8 19,-2.7 116,-0.1 2,-0.4 -0.954 49.4-153.8-136.3 153.2 -19.6 6.8 57.0 14 41 A L E -E 31 0B 17 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.892 22.6-175.1-129.9 101.2 -17.8 4.9 54.2 15 42 A T E -E 30 0B 73 15,-3.0 15,-3.7 -2,-0.4 2,-0.4 -0.798 14.0-172.1-103.5 135.7 -19.8 4.8 51.0 16 43 A V E -E 29 0B 16 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.987 14.2-153.0-124.6 118.0 -19.0 3.0 47.8 17 44 A S S S+ 0 0 90 11,-2.7 2,-1.0 -2,-0.4 -1,-0.2 0.975 82.5 34.7 -61.3 -73.3 -21.3 3.8 44.9 18 45 A P - 0 0 44 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.759 65.3-174.5 -86.7 107.9 -21.3 0.7 42.6 19 46 A S S S+ 0 0 55 -2,-1.0 115,-3.7 1,-0.2 2,-0.5 0.662 77.0 48.6 -71.7 -18.2 -20.9 -2.3 45.0 20 47 A K E S+j 134 0C 130 113,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.958 73.4 161.0-128.1 112.7 -20.6 -4.6 42.0 21 48 A I E -j 135 0C 15 113,-3.0 115,-2.7 -2,-0.5 2,-0.1 -0.811 34.8-111.4-124.6 165.1 -18.2 -3.7 39.2 22 49 A E E > -j 136 0C 98 -2,-0.3 3,-2.2 113,-0.2 2,-0.4 -0.428 54.3 -71.0 -88.0 169.8 -16.5 -5.4 36.3 23 50 A D T 3 S+ 0 0 9 113,-1.7 1224,-0.2 1,-0.3 86,-0.2 -0.484 125.7 14.0 -67.1 119.8 -12.7 -6.1 36.0 24 51 A G T 3 S+ 0 0 21 84,-2.3 -1,-0.3 -2,-0.4 85,-0.2 0.507 99.1 145.3 89.1 8.3 -11.0 -2.7 35.4 25 52 A G < - 0 0 18 -3,-2.2 83,-2.6 83,-0.5 2,-0.3 -0.355 48.6-115.5 -78.8 158.4 -14.2 -0.9 36.4 26 53 A K E - F 0 107B 60 81,-0.2 2,-0.4 -3,-0.1 81,-0.2 -0.722 26.2-165.0 -99.3 145.6 -14.3 2.5 38.2 27 54 A T E - F 0 106B 4 79,-2.0 79,-3.0 -2,-0.3 2,-0.7 -0.993 17.2-136.1-137.2 128.9 -15.8 3.0 41.7 28 55 A T E - F 0 105B 42 -2,-0.4 -11,-2.7 77,-0.2 2,-0.5 -0.755 23.7-167.7 -87.7 112.7 -16.8 6.1 43.5 29 56 A V E -EF 16 104B 0 75,-3.3 75,-2.3 -2,-0.7 2,-0.5 -0.898 2.2-169.6-106.1 124.2 -15.6 6.0 47.2 30 57 A K E -EF 15 103B 75 -15,-3.7 -15,-3.0 -2,-0.5 2,-0.5 -0.961 4.3-171.0-119.0 123.7 -16.9 8.5 49.7 31 58 A M E -EF 14 102B 0 71,-1.4 71,-2.0 -2,-0.5 2,-0.4 -0.964 7.2-163.9-115.0 122.3 -15.5 9.0 53.2 32 59 A T E +EF 13 101B 40 -19,-2.7 -20,-3.2 -2,-0.5 -19,-0.8 -0.861 11.0 177.6-108.1 139.7 -17.4 11.2 55.6 33 60 A F E +EF 11 100B 1 67,-2.7 67,-2.0 -2,-0.4 2,-0.3 -0.969 9.0 179.1-139.9 154.3 -15.9 12.6 58.8 34 61 A D E - F 0 99B 33 -24,-2.2 3,-0.3 -2,-0.3 65,-0.2 -0.981 34.4-126.6-149.4 159.7 -16.8 14.9 61.8 35 62 A D S S+ 0 0 27 63,-2.1 3,-0.4 -2,-0.3 62,-0.2 -0.067 73.3 115.2 -97.5 33.1 -15.2 16.2 65.0 36 63 A K S S+ 0 0 176 1,-0.2 -1,-0.2 -26,-0.2 3,-0.1 0.427 88.2 33.0 -80.5 0.7 -18.1 15.1 67.2 37 64 A N S S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.3 2,-0.2 0.251 134.1 4.4-136.8 7.8 -15.7 12.7 68.9 38 65 A G S S- 0 0 28 -3,-0.4 -1,-0.3 -28,-0.1 2,-0.1 -0.543 76.9-105.4 165.9 125.9 -12.4 14.6 68.8 39 66 A K - 0 0 91 -2,-0.2 2,-0.4 -3,-0.1 57,-0.1 -0.364 36.5-119.4 -66.6 133.7 -11.3 18.1 67.7 40 67 A I + 0 0 2 55,-0.2 55,-0.2 52,-0.1 2,-0.2 -0.619 41.2 177.1 -78.0 124.7 -9.3 18.2 64.4 41 68 A Q > - 0 0 80 -2,-0.4 3,-1.1 52,-0.1 2,-0.5 -0.586 39.7 -68.1-119.7 178.3 -5.8 19.6 64.9 42 69 A N T 3 S+ 0 0 79 1,-0.2 47,-0.2 -2,-0.2 48,-0.1 -0.610 121.3 24.1 -72.3 120.7 -2.7 20.3 62.9 43 70 A G T 3 S+ 0 0 10 45,-1.5 -39,-1.6 -2,-0.5 -1,-0.2 0.050 86.1 139.5 111.2 -22.7 -1.1 17.0 61.8 44 71 A D E < -a 4 0A 2 -3,-1.1 44,-1.9 -41,-0.2 2,-0.4 -0.245 32.4-165.8 -56.3 137.2 -4.3 15.0 62.0 45 72 A M E -aB 5 87A 51 -41,-2.2 -39,-1.6 42,-0.2 -38,-0.6 -0.994 19.4-154.0-134.8 131.6 -4.7 12.4 59.2 46 73 A I E - B 0 86A 0 40,-1.9 40,-3.0 -2,-0.4 2,-0.5 -0.920 22.0-159.5 -98.4 123.7 -7.7 10.4 57.9 47 74 A K E - B 0 85A 84 -2,-0.6 2,-0.6 38,-0.2 80,-0.4 -0.922 9.1-164.5-114.0 120.8 -6.4 7.2 56.2 48 75 A V E - B 0 84A 0 36,-3.1 36,-2.6 -2,-0.5 2,-0.3 -0.912 17.1-172.8-103.2 119.8 -8.4 5.2 53.7 49 76 A A B +K 125 0C 19 76,-3.3 76,-3.1 -2,-0.6 34,-0.1 -0.777 10.9 169.2-114.9 156.6 -7.1 1.7 53.1 50 77 A W - 0 0 14 32,-0.4 74,-0.2 -2,-0.3 2,-0.1 -0.966 48.8 -65.4-155.8 162.5 -7.9 -1.1 50.6 51 78 A P + 0 0 39 0, 0.0 7,-2.3 0, 0.0 3,-0.1 -0.348 46.2 174.5 -57.0 129.5 -6.4 -4.4 49.4 52 79 A T + 0 0 56 5,-0.2 2,-0.3 1,-0.2 5,-0.1 0.540 57.5 32.7-115.3 -15.2 -3.2 -3.8 47.6 53 80 A S S S+ 0 0 99 3,-0.2 2,-0.4 4,-0.0 3,-0.4 -0.969 88.5 35.3-144.5 157.5 -1.9 -7.3 46.8 54 81 A G S S- 0 0 62 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.869 110.1 -24.2 110.5-136.3 -3.1 -10.8 46.0 55 82 A T S S+ 0 0 57 -2,-0.4 56,-2.9 1,-0.2 2,-0.5 0.665 130.2 50.7 -90.7 -21.4 -6.1 -11.8 44.0 56 83 A V E -G 110 0B 17 -3,-0.4 2,-0.4 54,-0.2 -3,-0.2 -0.970 68.4-177.6-121.9 116.9 -8.0 -8.6 44.5 57 84 A K E -G 109 0B 66 52,-1.8 52,-2.4 -2,-0.5 2,-0.5 -0.952 10.4-162.6-117.8 132.3 -6.3 -5.3 43.9 58 85 A I E -G 108 0B 3 -7,-2.3 2,-0.6 -2,-0.4 50,-0.2 -0.957 8.4-172.6-115.6 116.6 -7.8 -1.8 44.4 59 86 A E E -G 107 0B 19 48,-2.8 48,-2.8 -2,-0.5 2,-0.3 -0.912 9.7-153.3-117.7 106.7 -6.0 1.1 42.7 60 87 A G E -G 106 0B 0 -2,-0.6 2,-0.3 20,-0.4 46,-0.2 -0.586 27.6-110.0 -77.6 135.2 -7.2 4.6 43.5 61 88 A Y - 0 0 6 44,-1.6 2,-0.9 -2,-0.3 95,-0.1 -0.495 35.9-109.5 -70.1 126.8 -6.6 7.2 40.7 62 89 A S + 0 0 33 93,-1.4 2,-0.3 -2,-0.3 96,-0.3 -0.402 61.2 143.1 -63.9 98.0 -3.9 9.7 41.7 63 90 A K - 0 0 43 -2,-0.9 16,-1.8 16,-0.1 2,-0.4 -0.945 39.6-146.9-134.3 158.9 -5.7 13.0 42.4 64 91 A T E +C 78 0A 87 -2,-0.3 14,-0.2 14,-0.2 230,-0.1 -0.908 17.6 175.6-131.3 103.2 -5.3 15.9 44.8 65 92 A V E -C 77 0A 25 12,-1.2 12,-2.6 -2,-0.4 2,-0.3 -0.937 22.3-141.6-110.4 116.3 -8.4 17.7 46.1 66 93 A P E -C 76 0A 49 0, 0.0 2,-0.9 0, 0.0 10,-0.3 -0.598 12.8-127.2 -81.4 132.9 -7.8 20.4 48.7 67 94 A L E +C 75 0A 0 8,-1.3 8,-1.9 -2,-0.3 7,-1.3 -0.696 42.0 177.5 -75.4 106.0 -10.3 20.8 51.6 68 95 A T E -C 73 0A 77 -2,-0.9 2,-0.4 228,-0.5 230,-0.4 -0.948 18.9-179.9-122.1 133.7 -11.0 24.6 51.3 69 96 A V E > S-C 72 0A 33 3,-2.3 3,-2.5 -2,-0.4 230,-0.1 -1.000 75.3 -16.7-131.0 132.8 -13.4 26.8 53.3 70 97 A K T 3 S- 0 0 139 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.785 129.2 -50.7 40.1 41.7 -13.8 30.5 52.7 71 98 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 901,-0.0 -1,-0.3 0.557 114.5 117.5 81.0 9.9 -10.5 30.6 50.8 72 99 A E E < -C 69 0A 58 -3,-2.5 -3,-2.3 19,-0.0 2,-1.3 -0.948 63.0-138.1-114.7 121.1 -8.5 28.9 53.5 73 100 A Q E +C 68 0A 70 -2,-0.5 18,-0.3 -5,-0.2 -5,-0.2 -0.630 33.1 165.0 -77.4 94.0 -6.9 25.5 52.8 74 101 A V E - 0 0 1 -2,-1.3 15,-2.2 -7,-1.3 2,-0.3 0.672 64.4 -2.8 -85.4 -20.1 -7.8 23.7 56.0 75 102 A G E -CD 67 88A 0 -8,-1.9 -8,-1.3 13,-0.3 2,-0.3 -0.949 59.7-139.3-159.1 175.6 -6.9 20.2 54.7 76 103 A Q E -CD 66 87A 70 11,-1.7 11,-2.1 -10,-0.3 2,-0.7 -0.967 11.1-140.7-150.9 131.1 -5.9 18.2 51.6 77 104 A A E -CD 65 86A 2 -12,-2.6 -12,-1.2 -2,-0.3 2,-0.6 -0.831 18.7-168.0 -93.9 116.1 -7.0 14.8 50.2 78 105 A V E -CD 64 85A 49 7,-2.5 7,-2.8 -2,-0.7 2,-0.5 -0.926 3.9-164.3-108.2 118.7 -4.0 12.8 48.8 79 106 A I E + D 0 84A 9 -16,-1.8 5,-0.2 -2,-0.6 -16,-0.1 -0.897 11.5 172.7-109.9 127.7 -5.0 9.8 46.7 80 107 A T E > - D 0 83A 62 3,-1.1 3,-2.6 -2,-0.5 -20,-0.4 -0.985 43.9-117.1-131.9 140.0 -2.5 7.0 45.8 81 108 A P T 3 S+ 0 0 15 0, 0.0 -21,-0.1 0, 0.0 3,-0.1 0.597 119.4 46.8 -49.5 -13.1 -3.2 3.6 44.1 82 109 A D T 3 S- 0 0 102 1,-0.4 -32,-0.4 -23,-0.1 2,-0.2 0.476 129.8 -27.8-108.3 -7.8 -2.0 2.0 47.3 83 110 A G E < - D 0 80A 15 -3,-2.6 -3,-1.1 -34,-0.1 2,-0.4 -0.755 54.1-113.5 162.8 151.6 -4.0 4.2 49.8 84 111 A A E -BD 48 79A 0 -36,-2.6 -36,-3.1 -2,-0.2 2,-0.4 -0.862 26.8-174.9-105.6 137.1 -5.7 7.5 50.5 85 112 A T E -BD 47 78A 43 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.6 -0.995 10.8-157.7-135.3 128.7 -4.5 9.9 53.2 86 113 A I E -BD 46 77A 0 -40,-3.0 -40,-1.9 -2,-0.4 2,-0.5 -0.921 12.0-167.6-110.4 114.9 -6.1 13.2 54.2 87 114 A T E -BD 45 76A 51 -11,-2.1 -11,-1.7 -2,-0.6 2,-0.3 -0.884 7.4-149.0-108.8 129.7 -3.8 15.7 56.0 88 115 A F E - 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