==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN, BLOOD CLOTTING 05-SEP-12 4GYX . COMPND 2 MOLECULE: TYPE III COLLAGEN FRAGMENT IN A HOST PEPTIDE STAB . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.P.BOUDKO,H.P.BACHINGER . 82 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 1.2 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+3), 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 . 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 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G 0 0 88 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.4 -21.5 -0.9 42.9 2 2 A P - 0 0 100 0, 0.0 31,-0.1 0, 0.0 2,-0.0 -0.184 360.0 -85.3 -71.0 166.5 -20.4 -2.2 39.5 3 3 A X - 0 0 101 27,-0.1 29,-0.2 1,-0.1 30,-0.1 -0.347 49.2-108.9 -67.2 155.7 -16.9 -1.9 38.1 4 4 A G - 0 0 11 27,-1.4 57,-0.2 56,-0.5 -1,-0.1 -0.129 45.3 -72.5 -78.1 178.9 -16.0 1.3 36.3 5 5 A P - 0 0 66 0, 0.0 57,-2.6 0, 0.0 28,-0.5 -0.282 60.0 -90.0 -67.1 158.6 -15.4 1.8 32.6 6 6 A X - 0 0 95 55,-0.2 29,-0.2 27,-0.1 30,-0.2 -0.300 51.9 -98.3 -65.1 156.9 -12.3 0.3 31.0 7 7 A G - 0 0 7 27,-1.5 57,-0.1 56,-0.6 -1,-0.1 -0.060 48.7 -74.9 -71.6 174.8 -9.3 2.5 30.9 8 8 A P - 0 0 73 0, 0.0 57,-2.0 0, 0.0 28,-0.3 -0.196 62.6 -83.2 -62.8 162.2 -8.1 4.6 27.9 9 9 A R - 0 0 131 55,-0.2 29,-0.2 27,-0.2 30,-0.1 -0.387 54.3-100.4 -66.6 147.4 -6.5 3.0 24.9 10 10 A G - 0 0 9 27,-2.8 30,-0.4 56,-0.3 57,-0.2 -0.047 42.8 -85.8 -62.5 167.2 -2.8 2.2 25.3 11 11 A Q - 0 0 124 54,-0.4 57,-2.5 28,-0.2 28,-0.3 -0.314 53.5 -91.8 -69.1 156.0 0.0 4.3 23.8 12 12 A X - 0 0 85 55,-0.2 29,-0.2 27,-0.2 30,-0.1 -0.404 49.5 -99.6 -67.2 149.6 1.1 3.6 20.2 13 13 A G - 0 0 10 27,-2.7 30,-0.4 56,-0.3 56,-0.2 -0.130 45.0 -87.4 -61.7 163.5 3.9 1.1 19.8 14 14 A V - 0 0 66 54,-0.4 57,-3.0 28,-0.2 28,-0.3 -0.353 54.1 -88.1 -67.4 154.5 7.5 2.2 19.2 15 15 A M - 0 0 78 55,-0.2 29,-0.2 27,-0.2 -1,-0.1 -0.346 50.5-102.2 -63.3 142.6 8.7 2.9 15.6 16 16 A G - 0 0 7 27,-2.9 30,-0.4 56,-0.3 56,-0.2 -0.112 42.8 -88.5 -61.2 162.1 10.0 -0.1 13.7 17 17 A F - 0 0 153 54,-0.4 57,-2.8 28,-0.2 28,-0.3 -0.318 50.3 -95.6 -65.6 153.6 13.8 -0.8 13.2 18 18 A X - 0 0 89 55,-0.2 29,-0.2 27,-0.2 30,-0.1 -0.373 45.4-104.5 -64.9 152.8 15.4 0.7 10.2 19 19 A G - 0 0 7 27,-2.4 56,-0.2 56,-0.4 57,-0.2 -0.200 42.7 -92.3 -71.0 168.8 15.7 -1.5 7.2 20 20 A P - 0 0 52 0, 0.0 57,-2.3 0, 0.0 28,-0.4 -0.259 56.3 -69.0 -76.3 169.8 19.1 -3.1 6.2 21 21 A X - 0 0 104 55,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.242 58.2-108.2 -57.3 146.5 21.6 -1.7 3.9 22 22 A G - 0 0 8 27,-2.2 57,-0.2 56,-0.3 -1,-0.1 -0.072 39.1 -84.1 -69.8 175.7 20.7 -1.6 0.2 23 23 A P - 0 0 58 0, 0.0 57,-2.2 0, 0.0 28,-0.4 -0.266 58.0 -75.9 -77.0 164.1 22.0 -3.7 -2.6 24 24 A X - 0 0 99 55,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.235 58.1 -99.5 -57.7 148.8 25.2 -3.0 -4.6 25 25 A G - 0 0 5 27,-2.2 57,-0.2 56,-0.3 -1,-0.1 -0.172 43.2 -95.5 -67.2 166.6 25.0 -0.3 -7.1 26 26 A P - 0 0 66 0, 0.0 57,-2.6 0, 0.0 28,-0.3 -0.171 45.6 -82.9 -77.6 171.0 24.5 -1.0 -10.8 27 27 A a 0 0 72 55,-0.2 29,-0.1 1,-0.1 55,-0.1 -0.371 360.0 360.0 -66.8 155.3 27.2 -1.2 -13.5 28 28 A C 0 0 95 56,-0.5 -1,-0.1 27,-0.4 29,-0.0 -0.166 360.0 360.0 -58.4 360.0 28.3 2.1 -15.0 29 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 1 B G 0 0 52 0, 0.0 -27,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 172.3 -17.3 -0.6 43.0 31 2 B P - 0 0 68 0, 0.0 -27,-1.4 0, 0.0 0, 0.0 -0.199 360.0 -83.4 -69.3 163.9 -13.8 -1.8 41.9 32 3 B X - 0 0 100 -29,-0.2 29,-0.2 27,-0.2 30,-0.1 -0.252 51.5-101.4 -64.4 157.7 -11.9 -0.1 39.0 33 4 B G - 0 0 6 27,-1.6 -27,-0.1 -28,-0.5 -1,-0.1 -0.157 44.6 -81.4 -75.3 172.8 -12.6 -1.2 35.5 34 5 B P - 0 0 63 0, 0.0 -27,-1.5 0, 0.0 28,-0.2 -0.150 61.6 -75.3 -66.8 166.8 -10.5 -3.6 33.4 35 6 B X - 0 0 102 -29,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.305 56.8-106.5 -60.4 150.4 -7.4 -2.4 31.5 36 7 B G - 0 0 8 27,-2.5 -27,-0.2 -28,-0.3 -1,-0.1 -0.072 47.1 -71.5 -71.6 176.5 -8.1 -0.4 28.4 37 8 B P - 0 0 73 0, 0.0 -27,-2.8 0, 0.0 28,-0.4 -0.323 59.0 -90.8 -70.0 153.4 -7.6 -1.7 24.8 38 9 B R - 0 0 81 -29,-0.2 29,-0.2 27,-0.1 30,-0.1 -0.318 47.5-108.0 -64.3 144.0 -4.1 -2.2 23.4 39 10 B G - 0 0 4 27,-2.4 30,-0.4 -28,-0.3 -28,-0.2 -0.130 40.7 -83.3 -66.5 166.4 -2.6 0.8 21.6 40 11 B Q - 0 0 96 -30,-0.4 -27,-2.7 28,-0.2 28,-0.3 -0.339 53.5 -96.1 -64.2 151.3 -2.0 1.0 17.9 41 12 B X - 0 0 99 -29,-0.2 29,-0.2 27,-0.2 30,-0.1 -0.305 47.9 -98.8 -62.4 155.6 1.0 -0.6 16.4 42 13 B G - 0 0 14 27,-2.4 30,-0.4 -28,-0.3 -28,-0.2 -0.188 44.9 -87.7 -71.5 168.6 4.0 1.6 15.8 43 14 B V - 0 0 96 -30,-0.4 -27,-2.9 28,-0.2 28,-0.2 -0.374 51.5 -87.5 -76.4 157.2 4.9 3.2 12.5 44 15 B M - 0 0 82 -29,-0.2 29,-0.2 27,-0.2 -1,-0.1 -0.311 50.4-107.4 -60.1 143.0 7.1 1.4 10.0 45 16 B G - 0 0 3 27,-2.8 30,-0.4 -28,-0.3 -28,-0.2 -0.169 39.0 -87.8 -67.3 166.6 10.8 2.0 10.3 46 17 B F - 0 0 131 -30,-0.4 -27,-2.4 28,-0.2 28,-0.3 -0.312 50.1 -93.9 -65.7 154.4 12.9 4.1 8.1 47 18 B X - 0 0 83 -29,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.333 48.4-102.3 -59.7 155.1 14.5 2.6 4.9 48 19 B G - 0 0 7 27,-2.2 -27,-0.2 -28,-0.4 -1,-0.1 -0.174 44.3 -86.8 -68.4 172.2 18.0 1.3 5.4 49 20 B P - 0 0 69 0, 0.0 -27,-2.2 0, 0.0 28,-0.3 -0.307 60.2 -75.6 -75.1 165.3 21.0 3.3 4.1 50 21 B X - 0 0 91 -29,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.178 49.6-108.3 -61.2 156.2 22.3 2.9 0.6 51 22 B G - 0 0 8 27,-2.0 -27,-0.2 -28,-0.4 -1,-0.1 -0.062 44.5 -78.7 -73.7-179.9 24.2 -0.1 -0.6 52 23 B P - 0 0 60 0, 0.0 -27,-2.2 0, 0.0 28,-0.4 -0.334 61.3 -74.2 -76.7 165.9 27.9 -0.2 -1.5 53 24 B X - 0 0 102 -29,-0.2 29,-0.2 27,-0.2 30,-0.2 -0.209 56.3-105.1 -56.7 146.8 29.3 1.1 -4.8 54 25 B G - 0 0 8 27,-2.3 -1,-0.1 -28,-0.3 -27,-0.1 -0.151 37.8-105.2 -67.6 168.7 28.7 -1.1 -7.8 55 26 B P - 0 0 74 0, 0.0 2,-1.0 0, 0.0 -27,-0.4 -0.264 34.1 -93.4 -84.7 175.8 31.5 -3.2 -9.3 56 27 B C 0 0 103 27,-0.1 -29,-0.1 -29,-0.1 0, 0.0 -0.842 360.0 360.0 -89.5 101.6 33.5 -2.8 -12.4 57 28 B a 0 0 104 -2,-1.0 -29,-0.0 27,-0.3 -3,-0.0 -0.051 360.0 360.0 -83.5 360.0 31.4 -4.8 -14.8 58 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 1 C G 0 0 54 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 174.5 -16.2 2.7 40.1 60 2 C P - 0 0 59 0, 0.0 -27,-1.6 0, 0.0 -56,-0.5 -0.324 360.0 -86.0 -76.0 162.0 -13.2 4.5 38.6 61 3 C X - 0 0 107 -29,-0.2 -55,-0.2 -57,-0.2 -54,-0.2 -0.364 51.9-105.6 -66.3 149.8 -12.0 4.0 35.1 62 4 C G - 0 0 8 -57,-2.6 -27,-0.2 -28,-0.2 -1,-0.1 0.037 42.6 -77.9 -70.1 178.9 -9.6 1.2 34.5 63 5 C P - 0 0 58 0, 0.0 -27,-2.5 0, 0.0 -56,-0.6 -0.427 58.9 -87.7 -75.1 156.1 -5.9 1.4 33.8 64 6 C X - 0 0 106 -29,-0.2 -55,-0.2 -57,-0.1 -54,-0.1 -0.257 52.0-101.8 -60.3 151.0 -4.6 2.4 30.4 65 7 C G - 0 0 10 -57,-2.0 -54,-0.4 -28,-0.4 -27,-0.1 -0.171 46.8 -78.8 -71.6 168.4 -4.2 -0.5 28.0 66 8 C P - 0 0 73 0, 0.0 -27,-2.4 0, 0.0 -56,-0.3 -0.289 57.7 -89.3 -65.3 152.6 -0.8 -2.0 27.1 67 9 C R - 0 0 111 -29,-0.2 -55,-0.2 -57,-0.2 -54,-0.1 -0.271 51.2-100.6 -58.9 146.5 1.4 -0.3 24.6 68 10 C G - 0 0 4 -57,-2.5 -54,-0.4 -28,-0.3 -28,-0.2 -0.178 46.2 -83.7 -64.1 162.5 0.9 -1.2 21.0 69 11 C Q - 0 0 44 -30,-0.4 -27,-2.4 -56,-0.2 -56,-0.3 -0.263 55.4 -90.3 -61.2 153.1 3.2 -3.6 19.1 70 12 C X - 0 0 105 -29,-0.2 -55,-0.2 -57,-0.2 -1,-0.1 -0.320 48.2-101.8 -62.7 149.0 6.4 -2.3 17.7 71 13 C G - 0 0 12 -57,-3.0 -54,-0.4 -28,-0.2 -28,-0.2 -0.218 44.7 -92.1 -65.2 161.8 6.2 -1.1 14.1 72 14 C V - 0 0 101 -30,-0.4 -27,-2.8 -56,-0.2 -56,-0.3 -0.414 49.2 -89.3 -75.3 153.4 7.5 -3.3 11.3 73 15 C M - 0 0 104 -29,-0.2 -55,-0.2 -57,-0.2 -1,-0.1 -0.263 49.0-107.8 -57.0 145.9 11.1 -3.0 10.1 74 16 C G - 0 0 5 -57,-2.8 -28,-0.2 -28,-0.3 -27,-0.2 -0.175 41.2 -83.1 -71.5 168.4 11.7 -0.5 7.3 75 17 C F - 0 0 123 -30,-0.4 -27,-2.2 -56,-0.2 -56,-0.4 -0.276 54.0 -86.2 -66.2 155.7 12.5 -1.4 3.7 76 18 C X - 0 0 100 -29,-0.2 -55,-0.2 -57,-0.2 -54,-0.2 -0.298 57.8 -97.1 -53.4 150.7 15.9 -2.3 2.5 77 19 C G - 0 0 7 -57,-2.3 -27,-0.2 -28,-0.3 -1,-0.1 -0.056 45.8 -82.6 -69.4 171.2 18.0 0.8 1.5 78 20 C P - 0 0 62 0, 0.0 -27,-2.0 0, 0.0 -56,-0.3 -0.244 59.0 -81.1 -66.3 162.7 18.4 2.2 -2.0 79 21 C X - 0 0 93 -29,-0.2 -55,-0.2 -57,-0.2 -54,-0.2 -0.265 53.4-105.8 -59.8 151.3 21.0 0.7 -4.4 80 22 C G - 0 0 7 -57,-2.2 -27,-0.2 -28,-0.4 -1,-0.1 -0.080 50.9 -65.6 -70.4 178.9 24.5 1.9 -3.9 81 23 C P - 0 0 60 0, 0.0 -27,-2.3 0, 0.0 -56,-0.3 -0.239 66.0 -88.3 -61.8 154.4 26.3 4.4 -6.2 82 24 C X - 0 0 99 -29,-0.2 -55,-0.2 -57,-0.2 -54,-0.1 -0.282 50.8-103.7 -62.0 152.9 27.0 3.2 -9.7 83 25 C G 0 0 12 -57,-2.6 -27,-0.1 -28,-0.2 -1,-0.1 -0.120 360.0 360.0 -72.3 174.6 30.3 1.3 -10.2 84 26 C P 0 0 127 0, 0.0 -56,-0.5 0, 0.0 -27,-0.3 0.154 360.0 360.0 -86.9 360.0 33.5 2.7 -11.8