==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-AUG-01 1GKC . COMPND 2 MOLECULE: 92 KDA TYPE IV COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ROWSELL,R.A.PAUPTIT . 317 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 110 A F 0 0 72 0, 0.0 2,-0.4 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 31.1 68.2 27.5 105.5 2 111 A E + 0 0 112 82,-0.1 2,-0.3 81,-0.1 124,-0.1 -0.995 360.0 159.9-128.1 130.9 66.1 29.7 103.3 3 112 A G - 0 0 19 -2,-0.4 0, 0.0 121,-0.2 0, 0.0 -0.903 41.2-134.4-143.5 171.9 64.6 28.6 100.0 4 113 A D + 0 0 153 -2,-0.3 2,-0.3 81,-0.1 121,-0.0 -0.203 69.4 104.0-123.7 41.5 61.9 29.5 97.6 5 114 A L - 0 0 116 80,-0.1 2,-0.2 119,-0.0 -2,-0.1 -0.899 45.1-168.2-122.1 150.7 60.3 26.0 97.0 6 115 A K - 0 0 89 -2,-0.3 2,-0.3 78,-0.1 118,-0.1 -0.754 37.5 -84.4-126.5 174.4 57.1 24.6 98.3 7 116 A W - 0 0 13 116,-0.3 5,-0.0 -2,-0.2 116,-0.0 -0.613 25.3-152.6 -81.9 143.9 55.7 21.0 98.3 8 117 A H S S+ 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.528 79.7 57.8 -92.2 -7.2 54.0 19.9 95.2 9 118 A H - 0 0 64 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.829 67.0-151.8-117.7 160.1 51.8 17.4 97.0 10 119 A H S S+ 0 0 77 -2,-0.3 36,-2.4 1,-0.1 2,-1.3 0.628 78.7 79.3-105.9 -18.6 49.4 18.0 99.9 11 120 A N E S-a 46 0A 106 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.730 72.0-172.0 -92.6 87.5 49.4 14.7 101.7 12 121 A I E -a 47 0A 0 34,-2.0 36,-2.6 -2,-1.3 2,-0.3 -0.560 8.5-151.0 -85.0 144.5 52.7 15.2 103.6 13 122 A T E -a 48 0A 31 -2,-0.2 44,-3.2 34,-0.2 43,-0.6 -0.846 9.5-169.4-116.8 152.6 54.4 12.5 105.6 14 123 A Y E -ab 49 57A 18 34,-2.3 36,-2.5 -2,-0.3 2,-0.4 -0.995 9.2-156.5-142.2 148.1 56.7 12.7 108.6 15 124 A W E - b 0 58A 35 42,-2.3 44,-3.2 -2,-0.3 2,-1.1 -0.987 12.0-148.3-126.4 123.6 58.9 10.3 110.5 16 125 A I E - b 0 59A 8 -2,-0.4 44,-0.1 34,-0.4 3,-0.1 -0.816 22.5-178.4 -89.5 100.6 60.0 10.8 114.1 17 126 A Q - 0 0 83 42,-2.3 2,-0.3 -2,-1.1 -1,-0.2 0.916 57.8 -8.5 -69.7 -48.2 63.4 9.1 113.9 18 127 A N - 0 0 49 41,-0.7 2,-0.2 -3,-0.1 -1,-0.1 -0.906 68.1-119.5-145.2 173.9 64.5 9.4 117.5 19 128 A Y - 0 0 48 -2,-0.3 2,-0.2 41,-0.1 42,-0.1 -0.736 16.7-114.7-120.7 165.4 63.5 11.0 120.8 20 129 A S - 0 0 7 -2,-0.2 3,-0.4 1,-0.1 8,-0.1 -0.580 23.6-132.6 -88.5 158.1 64.7 13.4 123.5 21 130 A E S S+ 0 0 178 -2,-0.2 -1,-0.1 1,-0.2 4,-0.0 0.692 94.6 73.5 -86.4 -16.1 65.5 12.1 126.9 22 131 A D S S+ 0 0 34 75,-0.1 -1,-0.2 2,-0.0 78,-0.0 0.672 98.0 38.9 -71.4 -22.2 63.5 14.9 128.7 23 132 A L S S- 0 0 12 -3,-0.4 157,-0.1 157,-0.1 -3,-0.1 -0.944 87.2-100.6-133.5 153.5 60.0 13.7 127.9 24 133 A P >> - 0 0 28 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.393 37.9-118.0 -66.0 149.7 58.1 10.5 127.6 25 134 A R H 3> S+ 0 0 166 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.839 114.5 57.2 -60.0 -33.4 57.7 9.3 124.0 26 135 A A H 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.859 107.6 48.9 -65.4 -33.8 53.9 9.6 124.2 27 136 A V H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.898 112.6 47.4 -71.3 -40.1 54.2 13.2 125.2 28 137 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.943 109.8 51.7 -66.9 -48.4 56.6 13.9 122.3 29 138 A D H X S+ 0 0 40 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.944 112.7 47.0 -52.4 -50.3 54.5 12.2 119.7 30 139 A D H X S+ 0 0 47 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.842 108.8 53.7 -61.4 -38.9 51.5 14.2 120.8 31 140 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.917 111.4 45.3 -64.1 -44.8 53.4 17.5 120.8 32 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 112.3 52.0 -64.6 -42.5 54.5 17.0 117.2 33 142 A A H X S+ 0 0 42 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.887 111.6 46.1 -61.4 -41.4 51.0 15.9 116.2 34 143 A R H X S+ 0 0 51 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.815 108.9 56.2 -72.4 -29.6 49.5 19.1 117.7 35 144 A A H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 3,-0.2 0.905 110.4 44.7 -68.3 -38.9 52.2 21.2 116.1 36 145 A F H >X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 3,-0.6 0.864 105.2 62.0 -71.1 -37.0 51.2 19.8 112.6 37 146 A A H 3X S+ 0 0 50 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.809 93.9 64.4 -59.9 -30.2 47.5 20.2 113.3 38 147 A L H 3< S+ 0 0 37 -4,-1.1 4,-0.4 -3,-0.2 -1,-0.2 0.919 110.4 36.8 -58.7 -43.5 48.0 24.0 113.7 39 148 A W H X< S+ 0 0 0 -4,-0.7 3,-1.3 -3,-0.6 4,-0.3 0.893 112.3 54.8 -78.3 -42.0 49.0 24.2 110.0 40 149 A S H 3< S+ 0 0 43 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.657 99.9 67.2 -67.5 -12.3 46.6 21.6 108.5 41 150 A A T 3< S+ 0 0 79 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.756 107.5 34.9 -79.3 -24.3 43.9 23.6 110.2 42 151 A V S < S+ 0 0 29 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.212 121.3 43.2-113.6 14.4 44.4 26.7 107.9 43 152 A T S S- 0 0 20 -3,-0.3 113,-0.1 -4,-0.3 112,-0.0 -0.909 85.5-106.6-148.1 173.2 45.3 24.9 104.7 44 153 A P S S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.369 82.0 117.3 -85.3 4.9 44.4 21.9 102.5 45 154 A L - 0 0 3 -6,-0.2 2,-0.3 -34,-0.1 -2,-0.2 -0.376 46.3-165.6 -73.1 150.6 47.5 20.1 103.8 46 155 A T E -a 11 0A 71 -36,-2.4 -34,-2.0 -2,-0.1 2,-0.4 -0.935 9.0-142.4-133.0 156.2 47.4 16.9 105.8 47 156 A F E -a 12 0A 35 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.981 13.3-172.7-129.9 125.8 50.0 15.1 107.8 48 157 A T E -a 13 0A 72 -36,-2.6 -34,-2.3 -2,-0.4 2,-0.5 -0.951 19.2-134.9-119.5 133.3 50.6 11.4 108.1 49 158 A R E +a 14 0A 71 -2,-0.4 2,-0.2 -36,-0.2 -34,-0.2 -0.736 31.0 171.7 -87.9 128.9 53.0 9.7 110.4 50 159 A V - 0 0 37 -36,-2.5 -34,-0.4 -2,-0.5 5,-0.0 -0.764 32.9-133.0-127.8 174.0 55.1 6.9 108.8 51 160 A Y S S+ 0 0 157 -2,-0.2 2,-0.3 -36,-0.1 -36,-0.1 0.110 71.5 77.1-121.7 26.0 58.0 4.8 110.0 52 161 A S S > S- 0 0 38 -38,-0.1 3,-1.3 1,-0.0 -2,-0.1 -0.825 86.8-104.9-129.4 169.2 60.6 4.8 107.2 53 162 A R T 3 S+ 0 0 189 -2,-0.3 -38,-0.1 1,-0.3 5,-0.1 0.470 105.5 84.5 -69.8 -2.2 63.2 7.2 105.7 54 163 A D T 3 + 0 0 137 -40,-0.1 -1,-0.3 3,-0.0 -41,-0.1 0.563 62.6 112.5 -78.9 -10.1 60.7 7.8 102.9 55 164 A A S < S- 0 0 11 -3,-1.3 -41,-0.2 1,-0.1 3,-0.2 -0.160 70.4-131.3 -60.0 157.6 58.8 10.5 104.7 56 165 A D S S+ 0 0 36 -43,-0.6 2,-0.7 1,-0.2 -42,-0.2 0.911 97.8 42.8 -76.4 -45.3 58.9 14.1 103.5 57 166 A I E S-b 14 0A 0 -44,-3.2 -42,-2.3 35,-0.1 2,-0.5 -0.889 72.8-169.5-109.0 109.3 59.6 15.5 106.9 58 167 A V E -b 15 0A 12 -2,-0.7 35,-2.1 -44,-0.2 2,-0.4 -0.857 8.5-158.1 -98.9 128.3 62.2 13.6 109.0 59 168 A I E +bc 16 93A 0 -44,-3.2 -42,-2.3 -2,-0.5 -41,-0.7 -0.867 19.0 159.2-108.8 135.4 62.4 14.6 112.6 60 169 A Q E - c 0 94A 32 33,-1.8 35,-2.3 -2,-0.4 2,-0.4 -0.999 32.9-135.0-155.0 154.7 65.4 14.0 114.9 61 170 A F E + c 0 95A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.889 34.8 165.6-106.8 137.1 67.1 15.2 118.1 62 171 A G E - c 0 96A 10 33,-2.3 35,-2.2 -2,-0.4 2,-0.4 -0.964 29.0-136.6-148.5 164.9 70.9 15.7 118.0 63 172 A V - 0 0 71 2,-0.3 33,-0.1 -2,-0.3 10,-0.0 -0.992 66.6 -41.1-127.9 133.6 73.8 17.2 120.0 64 173 A A S S+ 0 0 39 -2,-0.4 8,-1.5 2,-0.1 2,-0.3 -0.267 128.8 23.4 52.1-129.2 76.6 19.2 118.4 65 174 A E S S+ 0 0 144 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.482 71.6 159.2 -64.6 124.4 77.7 17.4 115.2 66 175 A H - 0 0 27 -2,-0.3 2,-0.2 2,-0.3 -1,-0.1 0.112 63.4 -70.7-141.5 29.0 74.7 15.4 114.0 67 176 A G S S+ 0 0 78 1,-0.5 -2,-0.1 -5,-0.0 -5,-0.0 -0.446 107.2 68.5 122.2 -65.7 75.0 14.6 110.3 68 177 A D S S- 0 0 36 -2,-0.2 -1,-0.5 2,-0.1 -2,-0.3 0.047 96.1 -95.7 -74.7-164.8 74.5 17.7 108.2 69 178 A G S S+ 0 0 63 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.1 0.151 102.4 80.7-104.9 22.3 77.0 20.5 108.3 70 179 A Y - 0 0 130 -6,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.615 64.2-167.9-127.6 73.5 75.3 22.7 110.9 71 180 A P - 0 0 55 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.123 24.7-110.1 -57.3 154.3 76.2 21.4 114.4 72 181 A F - 0 0 12 -8,-1.5 3,-0.1 23,-0.1 7,-0.1 -0.376 17.3-127.3 -83.2 168.5 74.3 22.7 117.4 73 182 A D - 0 0 89 1,-0.3 -1,-0.1 5,-0.3 -10,-0.0 -0.050 40.0-116.2-109.3 31.9 75.8 25.0 120.0 74 183 A G S S+ 0 0 19 3,-0.0 -1,-0.3 25,-0.0 24,-0.2 -0.226 79.0 14.9 68.6-162.1 75.1 23.2 123.3 75 184 A K S S- 0 0 131 23,-0.1 24,-0.1 -3,-0.1 3,-0.1 -0.110 119.2 -20.4 -48.4 135.5 72.9 24.8 126.0 76 185 A D S S+ 0 0 73 1,-0.2 2,-0.6 20,-0.1 -3,-0.2 0.162 97.0 80.3 55.5-173.1 70.8 27.8 124.8 77 186 A G S S+ 0 0 27 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.720 98.5 28.5 82.5-119.9 71.4 29.9 121.7 78 187 A L - 0 0 48 -2,-0.6 -5,-0.3 1,-0.2 3,-0.1 -0.638 65.9-173.8 -76.4 125.5 70.2 28.1 118.6 79 188 A L - 0 0 0 239,-3.2 17,-2.3 -2,-0.4 2,-0.3 0.801 59.4 -38.0 -91.1 -31.1 67.3 25.8 119.7 80 189 A A E -D 95 0A 0 238,-0.5 -1,-0.3 15,-0.2 2,-0.3 -0.957 51.3-143.4-174.4 179.6 66.7 24.0 116.4 81 190 A H E -D 94 0A 10 13,-2.1 13,-2.8 -2,-0.3 2,-0.3 -0.964 7.4-162.3-162.3 149.3 66.7 24.4 112.6 82 191 A A E -D 93 0A 1 -2,-0.3 11,-0.2 11,-0.2 8,-0.1 -0.914 17.1-124.1-133.4 161.0 64.7 23.0 109.7 83 192 A F - 0 0 15 9,-2.3 41,-0.1 -2,-0.3 3,-0.1 -0.848 29.2-106.8-110.8 145.4 65.2 22.8 105.9 84 193 A P - 0 0 14 0, 0.0 7,-0.7 0, 0.0 8,-0.2 -0.122 57.1 -66.2 -61.5 160.0 62.9 24.2 103.1 85 194 A P S S+ 0 0 2 0, 0.0 6,-0.2 0, 0.0 -80,-0.1 -0.046 86.8 89.0 -48.1 146.4 60.7 21.9 100.9 86 195 A G S S- 0 0 19 4,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.921 73.1 -48.5 151.2-175.4 62.6 19.5 98.6 87 196 A P S > S+ 0 0 117 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.368 95.1 1.9 -85.8 167.2 64.2 16.0 98.4 88 197 A G T 3 S- 0 0 67 1,-0.3 -2,-0.1 -2,-0.1 4,-0.0 -0.316 135.9 -1.9 62.5-134.6 66.6 14.4 100.9 89 198 A I T > S+ 0 0 64 2,-0.1 3,-2.1 -2,-0.1 -1,-0.3 0.705 109.1 110.9 -62.9 -17.4 67.5 16.3 104.0 90 199 A Q T < S+ 0 0 68 -3,-1.7 -4,-0.3 1,-0.3 3,-0.1 -0.324 79.7 21.6 -59.0 135.5 65.3 19.1 102.6 91 200 A G T 3 S+ 0 0 0 -7,-0.7 -1,-0.3 1,-0.3 2,-0.1 0.407 95.4 132.2 86.0 -4.0 62.1 19.5 104.6 92 201 A D < - 0 0 16 -3,-2.1 -9,-2.3 -8,-0.2 2,-0.4 -0.462 45.3-147.2 -82.9 155.9 63.7 17.9 107.7 93 202 A A E -cD 59 82A 0 -35,-2.1 -33,-1.8 -11,-0.2 2,-0.4 -0.983 11.5-169.6-128.6 123.7 63.6 19.3 111.2 94 203 A H E -cD 60 81A 3 -13,-2.8 -13,-2.1 -2,-0.4 2,-0.4 -0.924 4.9-158.2-116.3 135.6 66.3 18.9 113.8 95 204 A F E -cD 61 80A 0 -35,-2.3 -33,-2.3 -2,-0.4 2,-0.7 -0.926 22.2-122.3-115.4 134.7 66.1 19.8 117.6 96 205 A D E > -c 62 0A 0 -17,-2.3 3,-1.3 -2,-0.4 -33,-0.2 -0.616 18.9-164.0 -74.0 112.4 69.1 20.5 119.8 97 206 A D T 3 S+ 0 0 27 -35,-2.2 -76,-0.2 -2,-0.7 -34,-0.1 0.230 79.4 79.2 -84.1 15.9 68.9 18.0 122.7 98 207 A D T 3 S+ 0 0 73 -36,-0.3 -1,-0.3 -24,-0.2 2,-0.2 0.495 82.5 85.2 -93.0 -7.2 71.3 20.0 124.8 99 208 A E S < S- 0 0 4 -3,-1.3 2,-0.8 -20,-0.2 -24,-0.1 -0.561 93.3-110.8 -88.6 156.3 68.3 22.2 125.6 100 209 A L - 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