==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 16-NOV-09 3KPT . COMPND 2 MOLECULE: COLLAGEN ADHESION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR C.B.POOR,J.M.BUDZIK,O.SCHNEEWIND,C.HE . 705 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 97 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 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 PARALLEL BRIDGES PER LADDER . 13 4 9 5 11 8 2 2 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 . 5 2 6 4 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 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 1 166 A K 0 0 187 0, 0.0 50,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.1 7.9 19.3 172.8 2 167 A R E -A 50 0A 131 48,-0.2 78,-2.0 49,-0.0 48,-0.2 -0.980 360.0-164.7-138.9 140.6 8.6 19.2 169.1 3 168 A G E -A 49 0A 0 46,-2.9 46,-2.6 -2,-0.4 45,-0.6 -0.402 11.2-136.4-111.4-172.7 10.6 21.2 166.5 4 169 A A E -Ab 47 93A 1 88,-0.8 90,-2.2 74,-0.3 2,-0.3 -0.922 5.4-152.1-145.1 165.8 10.7 21.5 162.8 5 170 A V E -Ab 46 94A 0 41,-2.7 41,-2.2 -2,-0.3 2,-0.5 -0.990 4.7-152.8-144.7 149.9 13.2 21.7 159.8 6 171 A D E -Ab 45 95A 4 88,-3.0 90,-3.1 -2,-0.3 2,-0.6 -0.956 8.5-160.9-128.8 111.2 13.2 23.3 156.4 7 172 A L E -Ab 44 96A 0 37,-3.0 37,-1.8 -2,-0.5 2,-0.8 -0.832 5.9-164.6 -94.7 118.4 15.4 21.7 153.7 8 173 A I E -Ab 43 97A 39 88,-3.6 90,-2.2 -2,-0.6 2,-0.4 -0.854 7.6-166.1-109.3 104.1 16.0 24.2 150.8 9 174 A K E + b 0 98A 0 33,-4.0 8,-2.1 -2,-0.8 2,-0.3 -0.702 10.5 174.3 -98.2 131.0 17.4 22.4 147.8 10 175 A T E -Cb 16 99A 26 88,-2.3 90,-2.2 -2,-0.4 6,-0.2 -0.862 8.1-174.8-131.2 167.3 19.0 24.2 144.9 11 176 A G > - 0 0 0 4,-2.2 3,-1.5 1,-0.3 4,-0.1 -0.289 52.3 -4.3-132.9-143.3 20.8 23.4 141.6 12 177 A V G > S+ 0 0 31 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 -0.297 131.4 4.2 -58.3 137.7 22.6 25.1 138.8 13 178 A N G 3 S- 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.806 130.2 -66.9 56.0 32.0 22.5 28.9 139.0 14 179 A E G < S+ 0 0 124 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.697 85.8 168.2 64.6 22.1 20.7 28.7 142.4 15 180 A K < - 0 0 119 -3,-1.8 -4,-2.2 1,-0.1 2,-0.4 -0.356 45.4-103.8 -64.9 143.5 17.6 27.2 140.7 16 181 A A B -C 10 0A 47 -6,-0.2 2,-0.7 24,-0.1 26,-0.3 -0.582 40.3-142.1 -68.9 125.2 15.0 25.7 143.0 17 182 A X - 0 0 14 -8,-2.1 3,-0.4 -2,-0.4 -8,-0.2 -0.816 20.4-176.0-103.8 110.2 15.4 21.9 142.7 18 183 A A + 0 0 46 -2,-0.7 21,-0.2 22,-0.2 22,-0.1 -0.570 62.6 38.3 -93.4 162.2 12.4 19.7 142.7 19 184 A G S S+ 0 0 39 19,-2.3 2,-0.5 1,-0.3 -1,-0.2 0.459 71.5 139.1 82.2 0.3 12.4 15.9 142.6 20 185 A A - 0 0 0 -3,-0.4 18,-2.5 19,-0.2 2,-0.4 -0.692 43.2-146.5 -78.9 124.2 15.4 15.4 144.9 21 186 A V E +DE 37 60B 12 39,-2.9 38,-2.5 -2,-0.5 39,-1.8 -0.806 21.9 173.4-102.1 133.0 14.7 12.5 147.2 22 187 A F E -DE 36 58B 5 14,-2.5 14,-2.5 -2,-0.4 2,-0.4 -0.901 22.0-145.2-130.8 157.0 15.9 12.3 150.8 23 188 A S E - E 0 57B 4 34,-2.5 34,-1.9 -2,-0.3 2,-0.5 -0.941 17.0-138.4-117.6 148.6 15.6 10.2 153.9 24 189 A L E -DE 33 56B 0 9,-2.4 8,-2.8 -2,-0.4 9,-2.1 -0.929 24.7-176.5-109.8 128.0 15.6 11.6 157.5 25 190 A F E -DE 31 55B 29 30,-2.2 30,-2.3 -2,-0.5 6,-0.2 -0.889 26.6-120.9-123.7 150.1 17.5 9.7 160.1 26 191 A K E > - E 0 54B 87 4,-2.5 3,-2.3 -2,-0.3 28,-0.2 -0.463 43.9-101.7 -75.1 162.5 18.1 9.9 163.9 27 192 A K T 3 S+ 0 0 101 26,-1.8 27,-0.1 1,-0.3 -1,-0.1 0.838 123.1 59.5 -57.5 -32.1 21.7 10.3 164.9 28 193 A D T 3 S- 0 0 111 25,-0.2 -1,-0.3 2,-0.1 26,-0.1 0.425 123.3-102.7 -81.2 1.2 21.8 6.6 165.9 29 194 A G S < S+ 0 0 35 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.311 72.2 141.9 101.5 -8.1 20.8 5.6 162.3 30 195 A T - 0 0 62 1,-0.1 -4,-2.5 -5,-0.1 2,-0.5 -0.499 56.3-115.6 -72.4 132.2 17.1 4.8 162.7 31 196 A E E +D 25 0B 94 -2,-0.2 -6,-0.3 -6,-0.2 3,-0.1 -0.541 34.7 175.2 -72.5 116.0 15.1 5.9 159.7 32 197 A V E S- 0 0 56 -8,-2.8 2,-0.3 -2,-0.5 -7,-0.2 0.870 70.3 -5.0 -83.3 -44.2 12.6 8.6 160.7 33 198 A K E -D 24 0B 92 -9,-2.1 -9,-2.4 3,-0.0 -1,-0.3 -0.989 61.4-172.1-149.1 154.0 11.3 9.2 157.2 34 199 A K E + 0 0 122 -2,-0.3 -11,-0.2 -11,-0.3 3,-0.1 -0.915 63.6 41.0-140.3 169.8 12.0 8.2 153.6 35 200 A E E + 0 0 130 -2,-0.3 2,-0.9 1,-0.2 -12,-0.2 0.851 66.3 163.4 59.2 36.1 10.9 9.1 150.1 36 201 A L E -D 22 0B 32 -14,-2.5 -14,-2.5 -3,-0.1 2,-0.5 -0.778 18.3-167.3 -85.6 104.8 10.9 12.8 151.0 37 202 A A E -D 21 0B 57 -2,-0.9 -16,-0.2 -16,-0.2 6,-0.1 -0.837 24.2-114.9-102.6 127.4 10.9 14.6 147.6 38 203 A T - 0 0 4 -18,-2.5 -19,-2.3 -2,-0.5 6,-0.2 -0.333 37.7-128.3 -57.7 130.1 11.7 18.3 147.3 39 204 A D > - 0 0 61 4,-2.6 3,-2.3 -21,-0.2 -19,-0.2 0.137 39.9 -71.4 -72.2-168.9 8.6 20.1 146.1 40 205 A A T 3 S+ 0 0 83 1,-0.3 -22,-0.2 2,-0.1 -1,-0.1 0.692 136.0 46.6 -61.1 -20.4 8.3 22.5 143.2 41 206 A N T 3 S- 0 0 105 2,-0.1 -1,-0.3 -24,-0.1 -24,-0.3 0.270 122.5-102.6-105.0 10.6 10.3 25.2 145.1 42 207 A G S < S+ 0 0 0 -3,-2.3 -33,-4.0 -26,-0.3 2,-0.4 0.726 77.1 139.4 76.8 24.2 13.0 22.8 146.2 43 208 A H E -A 8 0A 36 -35,-0.2 -4,-2.6 -6,-0.1 2,-0.4 -0.823 36.1-177.1-108.6 140.1 11.6 22.5 149.8 44 209 A I E -A 7 0A 10 -37,-1.8 -37,-3.0 -2,-0.4 2,-0.5 -0.985 16.9-169.1-123.2 119.6 11.1 19.6 152.2 45 210 A R E +A 6 0A 55 -2,-0.4 2,-0.4 -39,-0.2 -39,-0.2 -0.938 8.4 175.4-113.7 131.0 9.4 20.6 155.4 46 211 A V E +A 5 0A 9 -41,-2.2 -41,-2.7 -2,-0.5 2,-0.2 -0.987 2.9 169.3-136.6 123.4 9.2 18.4 158.5 47 212 A Q E +A 4 0A 99 -2,-0.4 -43,-0.2 -43,-0.3 34,-0.1 -0.687 51.3 62.2-120.3 178.6 7.7 19.3 161.9 48 213 A G E + 0 0 38 -45,-0.6 2,-0.6 32,-0.6 -44,-0.2 0.806 66.8 157.8 74.2 31.2 6.8 17.3 165.0 49 214 A L E -A 3 0A 7 -46,-2.6 -46,-2.9 31,-0.2 -1,-0.2 -0.794 42.5-125.0 -94.2 122.0 10.4 16.3 165.6 50 215 A E E -A 2 0A 119 -2,-0.6 -48,-0.2 -48,-0.2 26,-0.2 -0.330 44.5 -87.9 -57.8 142.3 11.4 15.2 169.1 51 216 A Y S S+ 0 0 85 -50,-0.7 2,-0.2 26,-0.1 26,-0.2 -0.118 85.5 75.3 -48.4 149.8 14.4 17.3 170.3 52 217 A G E S- F 0 76B 34 24,-2.5 24,-3.0 -3,-0.1 2,-0.4 -0.776 82.0 -42.8 134.6-177.9 17.8 15.8 169.4 53 218 A E E + F 0 75B 56 -2,-0.2 -26,-1.8 22,-0.2 2,-0.3 -0.699 52.6 169.2 -93.4 134.5 20.2 15.2 166.6 54 219 A Y E -EF 26 74B 13 20,-3.1 20,-2.4 -2,-0.4 2,-0.3 -0.822 16.2-155.6-130.0 169.9 19.1 14.2 163.1 55 220 A Y E -EF 25 73B 21 -30,-2.3 -30,-2.2 -2,-0.3 18,-0.3 -0.938 8.6-144.0-151.4 133.3 20.7 13.9 159.7 56 221 A F E -EF 24 72B 0 16,-2.1 16,-3.1 -2,-0.3 2,-0.3 -0.611 17.6-174.1 -82.1 151.7 19.3 14.0 156.1 57 222 A Q E -E 23 0B 49 -34,-1.9 -34,-2.5 -2,-0.2 2,-0.2 -0.937 25.3-119.8-148.3 129.8 20.8 11.8 153.5 58 223 A E E +E 22 0B 11 10,-0.7 -36,-0.3 12,-0.5 3,-0.1 -0.443 27.4 175.9 -70.2 134.5 19.9 11.9 149.8 59 224 A T E S+ 0 0 69 -38,-2.5 2,-0.4 1,-0.3 -37,-0.2 0.674 73.2 25.8-108.1 -28.3 18.5 8.6 148.3 60 225 A K E S-E 21 0B 127 -39,-1.8 -39,-2.9 8,-0.1 -1,-0.3 -0.961 75.0-140.4-141.5 122.1 17.7 9.8 144.8 61 226 A A - 0 0 25 -2,-0.4 6,-0.1 -41,-0.2 3,-0.1 -0.437 31.5-100.4 -77.2 150.4 19.4 12.7 142.9 62 227 A P > - 0 0 5 0, 0.0 3,-2.1 0, 0.0 -43,-0.1 -0.380 59.3 -77.3 -62.6 151.1 17.4 15.1 140.7 63 228 A K T 3 S+ 0 0 207 1,-0.3 3,-0.1 -3,-0.1 -43,-0.0 -0.282 119.4 15.2 -55.4 127.3 17.7 14.2 137.0 64 229 A G T 3 S+ 0 0 41 1,-0.3 39,-2.2 -3,-0.1 2,-0.3 0.389 105.2 106.6 92.6 -2.2 21.1 15.4 135.7 65 230 A Y B < S-G 102 0C 22 -3,-2.1 -1,-0.3 37,-0.3 37,-0.3 -0.789 74.1-104.2-112.8 153.3 22.7 16.0 139.0 66 231 A V - 0 0 9 35,-2.9 35,-0.3 -2,-0.3 2,-0.1 -0.526 39.3-110.6 -75.0 136.8 25.4 14.0 140.9 67 232 A I - 0 0 68 -2,-0.2 -1,-0.1 -6,-0.1 163,-0.1 -0.386 28.3-148.3 -64.2 142.6 24.2 11.8 143.8 68 233 A D - 0 0 17 1,-0.1 -10,-0.7 2,-0.1 -8,-0.1 -0.932 16.8-176.1-124.5 107.1 25.4 13.1 147.2 69 234 A P + 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.421 41.6 129.5 -80.1 -2.0 26.1 10.5 149.9 70 235 A T - 0 0 44 1,-0.1 2,-0.6 -13,-0.0 -12,-0.5 -0.285 56.7-136.2 -62.2 134.5 26.8 13.2 152.6 71 236 A K - 0 0 104 -14,-0.1 2,-0.8 -16,-0.0 -14,-0.2 -0.834 20.0-153.7 -87.3 119.7 25.0 12.8 155.9 72 237 A R E -F 56 0B 77 -16,-3.1 -16,-2.1 -2,-0.6 2,-0.1 -0.817 10.9-153.5-106.2 104.9 23.8 16.3 156.8 73 238 A E E +F 55 0B 95 -2,-0.8 2,-0.3 -18,-0.3 -18,-0.3 -0.315 19.4 166.2 -76.4 151.9 23.4 16.8 160.5 74 239 A F E -F 54 0B 10 -20,-2.4 -20,-3.1 -2,-0.1 2,-0.5 -0.967 26.5-130.0-155.5 156.3 21.1 19.2 162.4 75 240 A F E -F 53 0B 127 -2,-0.3 2,-0.8 -22,-0.2 -22,-0.2 -0.913 4.2-150.7-108.0 132.7 19.9 19.6 166.0 76 241 A V E +F 52 0B 5 -24,-3.0 -24,-2.5 -2,-0.5 3,-0.1 -0.912 38.5 149.8 -96.0 107.6 16.3 20.1 167.0 77 242 A K + 0 0 145 -2,-0.8 2,-0.3 -26,-0.2 -1,-0.2 0.651 55.1 35.2-116.2 -27.7 16.8 22.1 170.1 78 243 A N S S- 0 0 72 -3,-0.2 -74,-0.3 14,-0.1 2,-0.2 -0.840 88.2 -90.7-127.2 166.1 13.7 24.3 170.4 79 244 A S + 0 0 49 -2,-0.3 13,-2.9 -76,-0.2 -76,-0.3 -0.476 51.9 156.4 -75.3 146.6 10.0 24.0 169.6 80 245 A G E -H 91 0D 2 -78,-2.0 -32,-0.6 11,-0.3 2,-0.3 -0.964 24.8-158.2-168.0 149.8 8.8 25.0 166.1 81 246 A T E -H 90 0D 62 9,-2.2 9,-1.7 -2,-0.3 2,-0.3 -0.927 7.7-178.2-129.0 156.2 6.0 24.4 163.6 82 247 A I E -H 89 0D 7 -2,-0.3 7,-0.2 7,-0.2 -77,-0.1 -0.849 20.5-134.5-156.9 121.0 5.8 24.9 159.9 83 248 A N > - 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