==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-06 2CLT . COMPND 2 MOLECULE: INTERSTITIAL COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.IYER,R.VISSE,H.NAGASE,K.R.ACHARYA . 734 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 14 1.9 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 . 59 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 4 1 0 0 0 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 . 3 7 2 6 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 81 A F 0 0 96 0, 0.0 2,-0.4 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 158.3 75.1 13.7 0.8 2 82 A V - 0 0 54 126,-0.4 126,-2.7 3,-0.0 2,-0.4 -0.986 360.0-139.5-135.2 123.2 78.0 11.4 1.8 3 83 A L B -A 127 0A 44 -2,-0.4 124,-0.2 124,-0.2 4,-0.1 -0.664 37.0 -96.2 -86.1 135.2 81.5 11.5 0.3 4 84 A T > - 0 0 8 122,-1.9 3,-2.5 -2,-0.4 -1,-0.1 -0.161 49.0 -98.6 -49.4 131.6 83.2 8.2 -0.5 5 85 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.271 113.6 29.4 -53.8 133.9 85.5 7.2 2.4 6 86 A G T 3 S- 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.208 110.2-113.0 95.7 -14.3 89.0 8.1 1.6 7 87 A N < - 0 0 115 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.1 0.928 39.8-163.1 50.9 56.2 87.8 11.0 -0.5 8 88 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.481 14.8 176.0 -69.4 140.9 88.9 9.6 -3.9 9 89 A R - 0 0 123 -2,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.997 34.3-110.4-149.9 141.5 88.9 12.4 -6.5 10 90 A W - 0 0 22 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.534 20.6-153.0 -72.0 135.0 89.9 12.8 -10.2 11 91 A E S S+ 0 0 179 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.823 76.4 63.4 -79.7 -31.8 93.0 14.9 -10.6 12 92 A Q - 0 0 135 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 -0.558 67.0-152.4 -89.3 157.0 92.2 16.2 -14.1 13 93 A T S S+ 0 0 60 1,-0.2 36,-2.2 -2,-0.2 2,-0.7 0.535 85.9 68.4-104.0 -9.0 89.1 18.3 -14.8 14 94 A H E S-b 49 0B 126 34,-0.2 2,-0.2 36,-0.0 -1,-0.2 -0.860 74.5-176.7-112.8 96.4 88.9 17.1 -18.4 15 95 A L E -b 50 0B 0 34,-2.6 36,-2.8 -2,-0.7 2,-0.3 -0.572 16.8-143.5 -96.2 155.6 87.9 13.4 -18.3 16 96 A T E -b 51 0B 47 34,-0.2 44,-2.4 -2,-0.2 43,-0.4 -0.882 14.7-173.0-116.6 147.8 87.4 10.8 -21.0 17 97 A Y E -bc 52 60B 11 34,-2.3 36,-2.0 -2,-0.3 2,-0.4 -0.999 3.0-165.1-143.8 143.3 84.8 8.0 -21.1 18 98 A R E - c 0 61B 58 42,-2.6 44,-3.6 -2,-0.3 2,-0.9 -0.986 18.3-141.5-136.0 137.7 84.2 5.0 -23.4 19 99 A I E - c 0 62B 9 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.833 19.5-172.6 -98.5 100.7 81.4 2.7 -24.0 20 100 A E + 0 0 88 42,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.960 64.5 0.1 -58.3 -61.1 83.0 -0.8 -24.5 21 101 A N S S- 0 0 62 41,-0.5 2,-0.4 0, 0.0 -1,-0.1 -0.812 71.8-123.6-127.5 169.9 80.0 -2.8 -25.6 22 102 A Y - 0 0 44 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.921 20.7-115.5-120.6 145.1 76.3 -2.1 -26.1 23 103 A T > - 0 0 2 -2,-0.4 3,-1.1 1,-0.1 8,-0.1 -0.492 15.9-137.4 -74.5 140.6 73.1 -3.7 -24.6 24 104 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 600,-0.1 0.732 95.6 77.7 -67.1 -22.2 70.8 -5.6 -27.0 25 105 A D T 3 S+ 0 0 4 77,-0.2 596,-0.1 597,-0.1 599,-0.1 0.738 101.6 31.3 -63.0 -24.5 67.8 -4.0 -25.2 26 106 A L S < S- 0 0 13 -3,-1.1 2,-0.2 79,-0.1 79,-0.0 -0.929 86.5 -98.5-138.1 160.5 68.4 -0.7 -27.0 27 107 A P >> - 0 0 61 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.508 43.0-114.5 -72.3 141.9 69.6 0.8 -30.3 28 108 A R H 3> S+ 0 0 171 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.839 117.1 59.7 -46.3 -37.9 73.2 2.1 -30.0 29 109 A A H 3> S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.947 105.2 47.1 -56.6 -52.0 71.9 5.6 -30.5 30 110 A D H <> S+ 0 0 58 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.811 112.5 48.8 -61.6 -33.8 69.6 5.3 -27.5 31 111 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.974 111.2 50.3 -69.1 -52.8 72.4 3.9 -25.3 32 112 A D H X S+ 0 0 49 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.870 111.1 49.5 -49.5 -44.6 74.8 6.7 -26.4 33 113 A H H X S+ 0 0 117 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.942 108.2 52.5 -63.9 -46.9 72.2 9.3 -25.6 34 114 A A H X S+ 0 0 9 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.920 113.0 43.7 -54.6 -49.4 71.5 8.0 -22.1 35 115 A I H >X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 3,-0.5 0.968 112.5 52.1 -62.1 -53.3 75.2 8.0 -21.1 36 116 A E H 3X S+ 0 0 95 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.905 112.0 44.9 -49.0 -52.6 75.9 11.5 -22.6 37 117 A K H 3X S+ 0 0 20 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.770 109.3 58.6 -66.1 -25.2 73.0 13.1 -20.8 38 118 A A H < S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.4 4,-0.3 0.864 112.3 53.6 -78.0 -39.6 77.2 16.3 -13.5 43 123 A S H 3< S+ 0 0 35 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.736 100.3 66.4 -69.2 -17.7 79.2 18.6 -15.9 44 124 A N T 3< S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.722 109.5 33.3 -73.2 -22.5 76.4 21.2 -15.5 45 125 A V S < S+ 0 0 5 -3,-1.0 119,-0.4 -4,-0.3 -1,-0.2 0.226 120.3 45.2-118.9 11.5 77.1 21.8 -11.8 46 126 A T S S- 0 0 4 -3,-0.5 119,-0.4 -4,-0.3 117,-0.1 -0.920 84.2-109.8-145.0 170.0 80.9 21.4 -11.7 47 127 A P S S+ 0 0 28 0, 0.0 -4,-0.1 0, 0.0 116,-0.1 0.610 80.9 115.2 -80.5 -7.4 83.9 22.4 -13.7 48 128 A L - 0 0 3 -6,-0.2 2,-0.3 -34,-0.1 -2,-0.2 -0.248 47.6-163.3 -64.0 146.5 84.4 18.8 -14.9 49 129 A T E -b 14 0B 49 -36,-2.2 -34,-2.6 -5,-0.0 2,-0.5 -0.974 5.8-149.7-131.1 146.2 84.0 17.9 -18.6 50 130 A F E -b 15 0B 32 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.970 7.6-166.7-123.3 126.7 83.6 14.5 -20.2 51 131 A T E -b 16 0B 83 -36,-2.8 -34,-2.3 -2,-0.5 2,-0.3 -0.947 18.8-133.0-115.3 125.2 84.8 13.5 -23.7 52 132 A K E -b 17 0B 80 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.576 25.6-171.7 -76.8 130.6 83.6 10.3 -25.4 53 133 A V - 0 0 47 -36,-2.0 -34,-0.4 -2,-0.3 3,-0.1 -0.868 15.8-161.1-120.5 155.7 86.4 8.3 -26.9 54 134 A S S S+ 0 0 100 -2,-0.3 2,-0.2 -36,-0.1 -1,-0.1 0.856 70.7 33.7-101.9 -55.0 86.2 5.2 -29.2 55 135 A E S S+ 0 0 50 2,-0.1 -1,-0.1 -37,-0.0 -35,-0.0 -0.556 100.3 21.6-100.6 168.5 89.5 3.3 -29.1 56 136 A G S S- 0 0 51 -2,-0.2 -3,-0.1 -3,-0.1 0, 0.0 0.236 96.9 -43.0 65.1 168.5 92.0 2.9 -26.3 57 137 A Q - 0 0 151 4,-0.0 2,-0.3 1,-0.0 3,-0.1 -0.189 54.1-169.2 -65.5 158.1 91.5 3.2 -22.6 58 138 A A - 0 0 16 1,-0.1 3,-0.2 -40,-0.1 -41,-0.2 -0.936 36.4-108.0-144.6 162.6 89.5 6.0 -20.9 59 139 A D S S+ 0 0 48 -43,-0.4 2,-0.7 -2,-0.3 -42,-0.2 0.979 113.6 36.6 -57.7 -55.0 89.1 7.3 -17.4 60 140 A I E S-c 17 0B 0 -44,-2.4 -42,-2.6 -3,-0.1 2,-0.7 -0.860 74.4-168.0-107.4 106.7 85.6 5.9 -17.3 61 141 A M E -c 18 0B 4 -2,-0.7 35,-1.3 32,-0.2 2,-0.4 -0.830 9.8-161.5 -93.4 115.2 85.1 2.6 -19.0 62 142 A I E +cd 19 96B 1 -44,-3.6 -42,-2.6 -2,-0.7 -41,-0.5 -0.807 18.3 160.0-100.7 136.4 81.4 1.7 -19.4 63 143 A S E - d 0 97B 7 33,-1.7 35,-2.3 -2,-0.4 2,-0.6 -0.997 39.1-130.7-154.7 157.5 80.2 -1.8 -20.1 64 144 A F E + d 0 98B 6 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.953 40.0 171.0-110.3 115.8 77.2 -4.2 -20.0 65 145 A V E - d 0 99B 29 33,-2.0 35,-2.4 -2,-0.6 2,-0.4 -0.856 24.1-136.8-128.8 159.9 78.3 -7.5 -18.4 66 146 A R - 0 0 76 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.920 57.6 -38.1-122.6 144.0 76.5 -10.7 -17.2 67 147 A G S S+ 0 0 21 -2,-0.4 8,-0.6 7,-0.1 2,-0.2 0.085 123.0 5.0 37.1-154.7 77.1 -12.7 -14.0 68 148 A D S S+ 0 0 116 6,-0.3 -2,-0.1 7,-0.2 8,-0.0 -0.361 74.4 173.3 -54.9 122.6 80.7 -13.0 -12.9 69 149 A H - 0 0 21 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.050 54.8 -77.7-141.9 22.2 82.5 -10.7 -15.3 70 150 A R S S+ 0 0 228 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.788 106.9 76.0 110.3 37.0 86.1 -10.5 -14.2 71 151 A D S S- 0 0 32 21,-0.0 -3,-0.0 0, 0.0 21,-0.0 0.326 99.1 -98.0-161.5 -0.7 86.4 -8.0 -11.4 72 152 A N S S+ 0 0 153 1,-0.0 -4,-0.1 0, 0.0 0, 0.0 0.640 101.2 93.3 76.9 16.0 85.2 -9.6 -8.1 73 153 A S - 0 0 45 -6,-0.1 -1,-0.0 11,-0.0 -6,-0.0 -0.366 62.9-167.9-134.2 54.5 81.7 -8.0 -8.2 74 154 A P - 0 0 71 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.058 18.6-121.7 -46.7 136.2 79.6 -10.8 -9.9 75 155 A F - 0 0 14 -8,-0.6 -7,-0.2 1,-0.1 7,-0.1 -0.427 10.2-133.8 -81.0 159.8 76.2 -9.9 -11.1 76 156 A D - 0 0 74 5,-0.3 -1,-0.1 1,-0.3 -10,-0.0 -0.051 37.1-118.5-105.5 30.3 73.0 -11.7 -9.8 77 157 A G S S+ 0 0 10 3,-0.1 -1,-0.3 4,-0.0 4,-0.2 -0.063 76.7 5.7 62.3-171.5 71.0 -12.4 -13.0 78 158 A P S S- 0 0 16 0, 0.0 24,-0.2 0, 0.0 511,-0.1 0.011 124.6 -1.5 -41.3 136.2 67.5 -10.9 -13.5 79 159 A G S S+ 0 0 27 22,-0.5 2,-0.5 509,-0.2 -3,-0.2 -0.147 98.0 72.5 72.0-179.3 66.6 -8.6 -10.7 80 160 A G S S+ 0 0 61 -5,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.558 97.8 24.9 85.5-117.8 68.7 -7.7 -7.7 81 161 A N - 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