==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-AUG-01 1GKD . COMPND 2 MOLECULE: 92 KDA TYPE IV COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ROWSELL,R.A.PAUPTIT . 318 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 53.1 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.4 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 1 1 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 81 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 35.3 0.6 16.3 26.0 2 111 A E + 0 0 92 82,-0.1 124,-0.1 124,-0.1 81,-0.1 -0.698 360.0 161.2-134.7 80.6 -1.7 18.5 28.0 3 112 A G - 0 0 30 -2,-0.3 80,-0.0 122,-0.1 0, 0.0 -0.071 40.8-125.2 -87.0-167.9 -0.3 19.4 31.4 4 113 A D + 0 0 151 81,-0.1 2,-0.3 2,-0.1 121,-0.0 -0.135 68.4 101.4-135.3 39.8 -1.2 22.2 33.8 5 114 A L - 0 0 116 80,-0.1 2,-0.3 119,-0.0 -2,-0.1 -0.877 45.9-161.5-124.4 155.4 2.1 24.1 34.5 6 115 A K - 0 0 93 -2,-0.3 2,-0.3 78,-0.1 118,-0.1 -0.796 37.1 -84.5-126.4 170.7 3.6 27.4 33.2 7 116 A W - 0 0 16 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.581 25.4-151.5 -78.7 140.2 7.1 28.7 33.1 8 117 A H S S+ 0 0 179 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.441 79.8 55.0 -89.6 -1.1 8.3 30.5 36.3 9 118 A H - 0 0 71 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.889 67.2-149.1-126.5 159.9 10.7 32.7 34.4 10 119 A H S S+ 0 0 77 -2,-0.3 36,-2.4 1,-0.1 2,-1.2 0.572 79.8 82.0-105.6 -11.6 10.1 35.1 31.5 11 120 A N E -a 46 0A 109 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.698 67.9-175.2 -96.6 82.4 13.5 34.9 29.8 12 121 A I E -a 47 0A 0 34,-1.8 36,-2.5 -2,-1.2 2,-0.3 -0.584 8.5-155.3 -83.3 138.0 12.9 31.7 27.8 13 122 A T E -a 48 0A 32 -2,-0.3 44,-2.7 34,-0.2 43,-0.5 -0.820 7.4-167.2-113.4 152.1 15.7 30.1 25.8 14 123 A Y E -ab 49 57A 21 34,-2.2 36,-2.6 -2,-0.3 2,-0.4 -0.987 8.1-156.6-139.3 151.1 15.6 27.8 22.8 15 124 A W E - b 0 58A 35 42,-2.5 44,-3.2 -2,-0.3 2,-1.2 -0.985 12.8-146.2-131.5 125.0 18.0 25.6 20.9 16 125 A I E - b 0 59A 8 34,-0.4 44,-0.1 -2,-0.4 42,-0.1 -0.773 20.4-176.4 -89.2 97.5 17.6 24.4 17.3 17 126 A Q - 0 0 87 42,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.890 59.1 -16.3 -63.0 -46.6 19.2 21.0 17.6 18 127 A N - 0 0 53 41,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.879 65.0-117.6-150.0-177.2 18.9 20.0 13.9 19 128 A Y - 0 0 47 -2,-0.3 2,-0.2 42,-0.1 42,-0.1 -0.815 18.0-113.2-129.2 167.2 17.3 20.9 10.6 20 129 A S - 0 0 7 -2,-0.3 3,-0.5 3,-0.1 8,-0.1 -0.638 23.8-131.1 -93.0 155.7 15.0 19.5 7.9 21 130 A E S S+ 0 0 183 -2,-0.2 -1,-0.1 1,-0.2 4,-0.0 0.513 94.7 76.7 -85.2 -4.1 16.4 18.9 4.4 22 131 A D S S+ 0 0 30 1,-0.1 -1,-0.2 2,-0.1 78,-0.0 0.725 97.7 30.0 -78.8 -25.1 13.5 20.8 2.7 23 132 A L S S- 0 0 14 -3,-0.5 156,-0.1 156,-0.1 -3,-0.1 -0.946 88.1 -91.8-137.3 157.4 14.6 24.4 3.4 24 133 A P >> - 0 0 29 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.328 38.2-119.2 -63.5 146.4 17.8 26.4 3.8 25 134 A R H 3> S+ 0 0 172 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 113.9 56.8 -56.9 -35.0 19.0 26.8 7.4 26 135 A A H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 106.3 48.9 -64.8 -36.9 18.6 30.6 7.2 27 136 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.875 113.0 48.4 -70.1 -37.6 15.0 30.3 6.2 28 137 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.925 110.1 49.7 -68.9 -45.7 14.3 27.8 9.1 29 138 A D H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.949 113.7 47.5 -56.9 -49.1 16.1 30.0 11.7 30 139 A D H X S+ 0 0 41 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.885 109.2 53.2 -59.7 -43.5 14.0 33.0 10.5 31 140 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.903 111.2 45.7 -61.0 -44.1 10.8 31.1 10.6 32 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 112.3 51.3 -66.0 -42.6 11.2 29.9 14.2 33 142 A A H X S+ 0 0 41 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.920 110.4 48.0 -61.3 -44.5 12.3 33.4 15.3 34 143 A R H X S+ 0 0 48 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.832 108.8 56.4 -66.2 -29.1 9.2 35.0 13.7 35 144 A A H >X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.2 3,-0.6 0.929 108.6 44.8 -68.1 -45.1 7.0 32.3 15.3 36 145 A F H >X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 3,-0.7 0.847 104.7 64.5 -65.9 -33.4 8.3 33.2 18.8 37 146 A A H 3X S+ 0 0 48 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.795 91.4 65.1 -59.8 -30.7 7.8 36.9 18.0 38 147 A L H << S+ 0 0 36 -4,-0.9 4,-0.5 -3,-0.6 -1,-0.2 0.915 109.5 37.2 -57.9 -45.1 4.1 36.4 17.7 39 148 A W H X< S+ 0 0 0 -4,-0.7 3,-0.7 -3,-0.7 6,-0.3 0.840 112.5 53.6 -80.3 -36.1 3.9 35.5 21.4 40 149 A S H >< S+ 0 0 42 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.759 99.5 67.5 -71.8 -19.6 6.4 37.9 22.9 41 150 A A T 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.830 108.9 34.4 -67.6 -31.2 4.5 40.7 21.2 42 151 A V T < S+ 0 0 31 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.188 121.5 42.7-110.0 16.8 1.5 40.2 23.4 43 152 A T S < S- 0 0 22 -3,-0.8 113,-0.1 2,-0.2 109,-0.0 -0.893 85.0-105.6-148.3 176.3 3.2 39.2 26.7 44 153 A P S S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.334 82.0 115.2 -89.5 6.8 6.2 40.1 28.9 45 154 A L - 0 0 3 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.368 46.2-166.2 -75.7 154.9 8.1 37.0 27.7 46 155 A T E -a 11 0A 59 -36,-2.4 -34,-1.8 -2,-0.1 2,-0.4 -0.948 9.5-142.4-137.0 157.2 11.3 37.1 25.7 47 156 A F E -a 12 0A 35 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.986 12.0-169.8-130.2 128.8 13.1 34.4 23.7 48 157 A T E -a 13 0A 69 -36,-2.5 -34,-2.2 -2,-0.4 2,-0.4 -0.961 18.6-134.5-121.3 126.5 16.8 33.9 23.4 49 158 A R E +a 14 0A 68 -2,-0.5 2,-0.2 -36,-0.2 -34,-0.2 -0.639 32.1 171.4 -80.7 127.9 18.6 31.5 21.1 50 159 A V - 0 0 36 -36,-2.6 -34,-0.4 -2,-0.4 5,-0.0 -0.703 32.8-136.7-124.6 177.4 21.3 29.4 22.7 51 160 A Y S S+ 0 0 160 -2,-0.2 2,-0.3 -36,-0.1 -36,-0.1 0.122 70.5 83.9-126.9 22.4 23.4 26.4 21.5 52 161 A S S > S- 0 0 39 -38,-0.1 3,-1.2 1,-0.0 -2,-0.1 -0.807 84.4-112.0-121.5 165.1 23.5 24.0 24.5 53 162 A R T 3 S+ 0 0 194 -2,-0.3 -38,-0.1 1,-0.3 5,-0.1 0.519 105.2 84.4 -71.2 -4.2 21.1 21.3 25.7 54 163 A D T 3 + 0 0 143 -40,-0.1 -1,-0.3 3,-0.0 -41,-0.1 0.411 63.5 117.5 -79.1 2.1 20.5 23.6 28.7 55 164 A A < - 0 0 10 -3,-1.2 3,-0.2 1,-0.1 -41,-0.2 -0.300 69.0-132.5 -66.8 154.3 17.9 25.5 26.7 56 165 A D S S+ 0 0 36 -43,-0.5 2,-0.6 1,-0.2 -42,-0.2 0.934 96.9 39.8 -72.9 -47.5 14.3 25.5 28.0 57 166 A I E S-b 14 0A 1 -44,-2.7 -42,-2.5 35,-0.1 2,-0.5 -0.891 72.9-167.7-109.4 109.0 12.8 24.7 24.5 58 167 A V E -b 15 0A 13 -2,-0.6 35,-2.1 -44,-0.2 2,-0.4 -0.838 9.2-152.9 -97.7 127.6 14.8 22.2 22.4 59 168 A I E +bc 16 93A 0 -44,-3.2 -42,-2.0 -2,-0.5 -41,-0.7 -0.844 19.6 171.1-103.4 132.1 13.7 22.0 18.7 60 169 A Q E - c 0 94A 31 33,-2.0 35,-2.5 -2,-0.4 2,-0.5 -0.999 27.7-147.0-145.1 142.3 14.2 18.8 16.7 61 170 A F E + c 0 95A 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.926 34.8 171.2-105.7 126.3 13.2 17.3 13.4 62 171 A G E - c 0 96A 8 33,-2.4 35,-2.7 -2,-0.5 2,-0.4 -0.888 30.2-135.7-137.5 168.8 12.7 13.6 13.4 63 172 A V - 0 0 79 -2,-0.3 33,-0.1 2,-0.2 10,-0.0 -0.975 66.5 -44.0-123.8 134.4 11.5 10.5 11.5 64 173 A A S S+ 0 0 44 -2,-0.4 8,-1.9 7,-0.1 2,-0.5 -0.153 127.5 13.5 46.3-130.4 9.2 7.7 12.9 65 174 A E S S+ 0 0 159 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.640 73.2 165.9 -75.6 124.6 10.5 6.8 16.4 66 175 A H - 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0 0 46 -2,-0.5 -5,-0.4 240,-0.2 240,-0.2 -0.511 65.9-174.9 -67.0 117.2 0.3 14.0 12.8 79 188 A L - 0 0 0 238,-3.3 17,-2.1 -2,-0.5 2,-0.3 0.873 57.8 -41.2 -82.7 -37.9 2.4 17.0 11.7 80 189 A A E -D 95 0A 0 237,-0.6 2,-0.3 15,-0.2 -1,-0.3 -0.968 51.5-145.8-175.2 173.5 4.3 17.6 15.0 81 190 A H E -D 94 0A 10 13,-1.9 13,-2.6 -2,-0.3 2,-0.3 -0.992 6.3-165.8-156.0 156.3 3.9 17.7 18.8 82 191 A A E -D 93 0A 2 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.912 18.5-120.9-140.0 167.7 5.3 19.5 21.9 83 192 A F - 0 0 14 9,-1.9 3,-0.1 -2,-0.3 41,-0.1 -0.869 30.4-104.1-115.7 148.0 5.3 19.1 25.6 84 193 A P - 0 0 14 0, 0.0 7,-0.6 0, 0.0 8,-0.2 -0.114 59.5 -66.5 -60.5 161.0 4.0 21.4 28.4 85 194 A P S S+ 0 0 2 0, 0.0 6,-0.2 0, 0.0 -80,-0.1 -0.099 85.9 92.4 -50.7 144.9 6.4 23.5 30.5 86 195 A G S S- 0 0 19 4,-0.4 2,-0.1 -3,-0.1 -3,-0.1 -0.935 70.8 -50.6 155.4-176.5 8.8 21.7 32.8 87 196 A P S > S+ 0 0 114 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.369 95.6 0.6 -85.9 167.2 12.3 20.2 33.0 88 197 A G T 3 S- 0 0 68 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.371 136.9 -0.0 62.8-128.8 14.0 17.8 30.6 89 198 A I T > S+ 0 0 64 -2,-0.1 3,-2.0 2,-0.1 -1,-0.3 0.746 107.6 109.1 -67.2 -21.3 12.0 16.8 27.6 90 199 A Q T < S+ 0 0 67 -3,-1.7 -4,-0.4 1,-0.3 3,-0.1 -0.279 81.1 21.3 -56.2 134.0 9.1 19.0 28.9 91 200 A G T 3 S+ 0 0 0 -7,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.172 93.7 129.2 93.4 -18.8 8.7 22.2 26.8 92 201 A D < - 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