==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-11 3SHI . COMPND 2 MOLECULE: INTERSTITIAL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,L.CEROFOLINI,M.FRAGAI,C.F.G.C.GERALDES . 468 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 3 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 6 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 3 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 3 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 1 106 A N 0 0 152 0, 0.0 2,-0.2 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 92.0 17.5 -44.1 2.9 2 107 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.565 360.0-158.5 -87.6 152.3 20.7 -43.4 0.9 3 108 A R - 0 0 88 -2,-0.2 2,-0.3 78,-0.1 117,-0.1 -0.827 28.2-105.4-116.6 154.6 23.6 -41.2 2.1 4 109 A W - 0 0 19 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.687 24.8-150.3 -75.6 142.8 26.3 -39.4 0.0 5 110 A E S S+ 0 0 167 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.704 78.6 57.6 -89.6 -15.7 29.6 -41.4 0.4 6 111 A Q S S- 0 0 84 1,-0.1 -2,-0.0 2,-0.1 -1,-0.0 -0.895 70.3-148.9-113.8 138.1 31.8 -38.3 -0.1 7 112 A T S S+ 0 0 74 -2,-0.4 36,-2.2 35,-0.1 2,-0.7 0.523 80.5 78.1 -88.0 -1.5 31.6 -35.3 2.1 8 113 A H E -a 43 0A 108 34,-0.2 2,-0.3 36,-0.0 36,-0.2 -0.911 69.1-173.1-110.6 109.5 32.7 -32.7 -0.5 9 114 A L E -a 44 0A 0 34,-3.4 36,-2.5 -2,-0.7 2,-0.4 -0.719 15.3-143.6-111.5 157.4 29.7 -32.1 -2.8 10 115 A T E -a 45 0A 43 -2,-0.3 44,-2.9 34,-0.2 2,-0.4 -0.878 17.5-178.6-113.6 144.1 29.2 -30.1 -6.0 11 116 A Y E -ab 46 54A 13 34,-2.2 36,-2.6 -2,-0.4 2,-0.4 -0.994 7.8-169.8-144.2 153.9 26.2 -28.1 -7.1 12 117 A R E - b 0 55A 51 42,-2.3 44,-3.1 -2,-0.4 2,-1.0 -0.992 22.3-138.3-139.7 136.9 25.2 -26.1 -10.1 13 118 A I E - b 0 56A 10 -2,-0.4 44,-0.2 34,-0.3 42,-0.1 -0.784 19.5-170.3 -88.2 101.4 22.3 -23.7 -10.7 14 119 A E - 0 0 89 42,-2.5 2,-0.3 -2,-1.0 43,-0.2 0.824 67.1 -3.7 -62.6 -33.0 21.2 -24.7 -14.3 15 120 A N - 0 0 62 41,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.944 67.6-123.3-158.6 169.8 18.9 -21.7 -14.7 16 121 A Y - 0 0 48 -2,-0.3 6,-0.1 41,-0.1 42,-0.0 -0.931 21.7-121.0-127.9 137.8 17.5 -18.8 -12.9 17 122 A T - 0 0 4 -2,-0.4 3,-0.5 1,-0.1 8,-0.1 -0.492 15.0-140.4 -69.7 150.8 14.0 -17.7 -12.2 18 123 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 334,-0.1 0.517 90.2 85.6 -88.8 -4.2 13.1 -14.3 -13.6 19 124 A D S S+ 0 0 14 77,-0.1 78,-0.0 1,-0.1 -2,-0.0 0.679 98.8 28.4 -58.4 -27.7 11.1 -13.6 -10.3 20 125 A L S S- 0 0 17 -3,-0.5 5,-0.1 79,-0.1 -1,-0.1 -0.982 96.0 -93.6-137.2 146.9 14.3 -12.4 -8.6 21 126 A P >> - 0 0 79 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.285 43.0-111.3 -60.0 148.0 17.5 -10.8 -9.7 22 127 A R H >> S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.879 115.0 57.8 -43.2 -52.8 20.3 -13.3 -10.4 23 128 A A H 3> S+ 0 0 67 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.862 105.9 51.7 -56.4 -33.7 22.5 -12.3 -7.4 24 129 A D H <> S+ 0 0 52 -3,-1.0 4,-2.1 1,-0.2 -1,-0.3 0.858 106.5 52.0 -75.8 -36.1 19.6 -13.0 -5.1 25 130 A V H X S+ 0 0 4 -4,-2.3 4,-2.6 -3,-0.4 3,-0.7 0.897 108.0 60.8 -62.4 -36.8 23.8 -25.0 1.6 34 139 A Q H 3X S+ 0 0 82 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.833 93.9 60.5 -57.6 -37.6 25.4 -23.1 4.5 35 140 A L H 3< S+ 0 0 19 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.898 113.7 38.2 -55.6 -38.8 22.7 -24.1 7.0 36 141 A W H X< S+ 0 0 0 -4,-0.8 3,-0.8 -3,-0.7 4,-0.3 0.883 115.9 48.2 -86.1 -43.3 23.6 -27.7 6.3 37 142 A S H >< S+ 0 0 28 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.818 102.6 66.0 -67.8 -30.8 27.4 -27.4 6.1 38 143 A N T 3< S+ 0 0 40 -4,-2.4 217,-0.3 -5,-0.2 -1,-0.2 0.788 110.0 35.0 -57.3 -27.8 27.6 -25.3 9.3 39 144 A V T < S+ 0 0 6 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.316 122.1 40.2-116.9 8.2 26.4 -28.2 11.4 40 145 A T S < S- 0 0 5 -3,-0.9 116,-0.1 -4,-0.3 112,-0.1 -0.860 88.0-103.4-139.4 176.4 28.0 -31.2 9.6 41 146 A P S S+ 0 0 65 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.313 79.6 121.7 -87.0 12.3 31.4 -31.9 7.9 42 147 A L - 0 0 2 -6,-0.3 2,-0.3 -34,-0.1 -34,-0.2 -0.413 43.0-167.1 -68.9 145.2 29.8 -31.5 4.4 43 148 A T E -a 8 0A 73 -36,-2.2 -34,-3.4 -2,-0.1 2,-0.4 -0.978 4.9-152.4-131.9 150.6 31.3 -28.8 2.1 44 149 A F E -a 9 0A 34 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.971 6.4-166.7-126.9 133.3 29.7 -27.6 -1.1 45 150 A T E -a 10 0A 62 -36,-2.5 -34,-2.2 -2,-0.4 2,-0.3 -0.978 16.3-140.5-119.7 122.8 31.4 -26.1 -4.2 46 151 A K E -a 11 0A 83 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.596 20.2-171.7 -74.4 136.0 29.3 -24.3 -6.9 47 152 A V - 0 0 43 -36,-2.6 -34,-0.3 -2,-0.3 5,-0.1 -0.967 22.0-154.8-125.8 147.1 30.2 -24.9 -10.5 48 153 A S S S+ 0 0 93 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.474 75.4 44.3 -94.1 -4.5 29.0 -23.1 -13.7 49 154 A E S S+ 0 0 164 2,-0.1 -1,-0.0 0, 0.0 -35,-0.0 -0.979 94.8 4.8-141.1 156.7 29.6 -26.0 -16.2 50 155 A G S S- 0 0 46 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.048 99.0 -29.8 69.6-173.0 29.1 -29.7 -16.6 51 156 A Q - 0 0 162 4,-0.0 2,-0.3 -40,-0.0 -2,-0.1 -0.559 56.7-169.8 -79.8 132.8 27.3 -32.1 -14.2 52 157 A A - 0 0 14 -2,-0.3 3,-0.2 1,-0.1 -41,-0.2 -0.764 36.7-110.8-112.1 167.0 27.3 -31.4 -10.4 53 158 A D S S+ 0 0 39 1,-0.3 2,-0.7 -2,-0.3 -42,-0.2 0.986 113.8 37.1 -55.8 -51.5 26.2 -33.7 -7.6 54 159 A I E S-b 11 0A 0 -44,-2.9 -42,-2.3 35,-0.1 2,-0.6 -0.865 76.2-167.4-107.2 105.9 23.2 -31.4 -7.0 55 160 A M E -b 12 0A 7 -2,-0.7 35,-2.1 -3,-0.2 2,-0.5 -0.842 9.5-160.8 -92.0 121.9 21.7 -29.9 -10.1 56 161 A I E +bc 13 90A 0 -44,-3.1 -42,-2.5 -2,-0.6 -41,-0.7 -0.905 18.9 159.5-107.9 130.1 19.3 -27.0 -9.3 57 162 A S E - c 0 91A 9 33,-2.0 35,-2.9 -2,-0.5 2,-0.5 -0.989 38.2-128.8-146.7 162.0 16.7 -25.8 -11.7 58 163 A F E + c 0 92A 8 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.960 42.1 157.2-109.3 123.8 13.4 -23.9 -12.2 59 164 A V E - c 0 93A 31 33,-2.3 35,-3.2 -2,-0.5 36,-0.4 -0.896 27.3-141.4-140.7 161.2 10.8 -25.8 -14.3 60 165 A R - 0 0 135 -2,-0.3 33,-0.0 33,-0.2 32,-0.0 -0.883 57.9 -27.9-129.2 162.6 7.1 -26.0 -14.8 61 166 A G S S+ 0 0 27 -2,-0.3 8,-2.5 7,-0.1 2,-0.4 0.038 123.0 13.7 30.9-121.9 4.4 -28.7 -15.4 62 167 A D + 0 0 116 6,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.602 62.8 163.5 -86.0 125.8 6.1 -31.8 -17.1 63 168 A H - 0 0 30 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.017 61.7 -94.5-136.4 26.7 9.8 -31.6 -16.9 64 169 A R S S+ 0 0 232 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.621 96.1 95.6 79.3 17.8 10.8 -35.2 -17.7 65 170 A D S S- 0 0 14 2,-0.0 -1,-0.3 21,-0.0 -2,-0.2 -0.616 92.7 -97.3-113.9-171.8 11.2 -36.6 -14.3 66 171 A N S S+ 0 0 162 -2,-0.2 -4,-0.0 1,-0.2 -2,-0.0 0.397 104.9 70.9 -99.0 23.5 8.3 -38.4 -12.9 67 172 A S - 0 0 50 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.0 -0.751 67.5-163.1-126.0 84.0 6.8 -35.6 -10.7 68 173 A P - 0 0 71 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.305 22.1-116.8 -65.3 151.2 5.3 -33.0 -12.9 69 174 A F - 0 0 12 -8,-2.5 -9,-0.1 23,-0.1 7,-0.1 -0.272 15.4-139.8 -80.0 175.9 4.6 -29.6 -11.3 70 175 A D - 0 0 79 1,-0.5 -1,-0.1 5,-0.5 -10,-0.0 0.119 38.4 -97.8-135.9 22.9 1.1 -28.2 -10.9 71 176 A G S S- 0 0 13 4,-0.1 -1,-0.5 3,-0.0 24,-0.1 -0.318 81.6 -8.8 85.6-179.6 0.9 -24.4 -11.5 72 177 A P S S+ 0 0 106 0, 0.0 24,-0.2 0, 0.0 2,-0.1 -0.170 120.3 0.5 -56.1 139.6 1.0 -21.8 -8.8 73 178 A G S S+ 0 0 17 1,-0.1 -3,-0.3 20,-0.1 2,-0.1 -0.447 96.3 73.4 82.1-162.2 0.6 -23.2 -5.2 74 179 A G S S+ 0 0 72 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.1 -0.303 105.9 22.0 49.1-120.8 0.3 -26.9 -4.3 75 180 A N - 0 0 107 1,-0.2 -5,-0.5 -2,-0.1 3,-0.1 -0.658 68.3-178.7 -74.3 130.2 3.7 -28.5 -4.8 76 181 A L - 0 0 20 -2,-0.4 17,-2.4 1,-0.4 2,-0.3 0.711 61.2 -23.7 -98.8 -34.3 6.4 -25.7 -4.7 77 182 A A E -D 92 0A 11 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.953 56.0-155.6-169.3 162.5 9.5 -27.7 -5.2 78 183 A H E -D 91 0A 32 13,-2.3 13,-3.6 -2,-0.3 2,-0.3 -0.982 4.5-160.4-149.4 162.2 10.9 -31.2 -4.9 79 184 A A E -D 90 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.967 17.8-121.6-139.2 148.9 14.3 -32.8 -4.4 80 185 A F - 0 0 50 9,-2.8 40,-0.1 -2,-0.3 3,-0.1 -0.788 31.8-107.3 -94.0 147.6 15.7 -36.3 -5.0 81 186 A Q - 0 0 63 -2,-0.3 7,-2.0 1,-0.2 8,-0.2 -0.207 57.7 -66.7 -58.4 154.1 17.4 -38.3 -2.3 82 187 A P S S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.065 86.7 83.6 -45.7 142.0 21.3 -38.8 -2.4 83 188 A G S S- 0 0 19 4,-0.2 2,-0.1 35,-0.1 -3,-0.1 -0.893 75.2 -40.4 147.4-179.9 22.7 -40.7 -5.3 84 189 A P S > S- 0 0 129 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.360 101.2 -3.0 -76.3 156.1 23.9 -40.7 -8.9 85 190 A G T 3 S+ 0 0 65 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.450 142.1 2.9 65.4-124.6 22.1 -38.8 -11.8 86 191 A I T > S+ 0 0 86 -2,-0.2 3,-3.1 2,-0.1 -6,-0.3 0.751 105.6 116.9 -67.2 -18.3 18.8 -37.1 -10.7 87 192 A G T < S+ 0 0 9 -3,-1.6 -4,-0.2 1,-0.3 -6,-0.1 -0.196 85.4 11.6 -48.1 137.7 19.8 -38.4 -7.2 88 193 A G T 3 S+ 0 0 0 -7,-2.0 -1,-0.3 1,-0.2 30,-0.1 0.241 96.8 134.1 75.2 -17.7 20.4 -35.2 -5.2 89 194 A D < - 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