==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-AUG-10 3OHL . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KOWATZ,J.H.NAISMITH . 160 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.4 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 . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 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 1 1 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 1 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 83 A F 0 0 89 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 170.3 -2.2 8.4 -3.8 2 84 A R E -A 128 0A 152 126,-0.5 126,-3.1 134,-0.0 2,-0.2 -0.995 360.0-156.9-143.6 146.7 -4.7 5.5 -3.6 3 85 A T E -A 127 0A 46 -2,-0.3 124,-0.2 124,-0.3 126,-0.1 -0.588 33.4 -86.5-110.9 178.4 -8.2 4.8 -5.0 4 86 A F > - 0 0 34 122,-0.9 3,-1.5 4,-0.3 -1,-0.1 -0.327 57.4 -69.8 -84.5 166.0 -11.0 2.5 -3.8 5 87 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.320 122.0 14.8 -55.2 131.4 -11.5 -1.3 -4.5 6 88 A G T 3 S- 0 0 74 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.701 117.4 -92.7 73.3 22.8 -12.6 -1.9 -8.1 7 89 A I < - 0 0 113 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.878 58.1-164.3 35.1 63.6 -11.5 1.6 -9.1 8 90 A P + 0 0 30 0, 0.0 -4,-0.3 0, 0.0 2,-0.3 -0.574 16.7 163.5 -79.1 136.9 -14.9 3.2 -8.6 9 91 A K - 0 0 101 -2,-0.3 2,-0.3 78,-0.1 117,-0.1 -0.967 47.2 -87.7-143.7 156.8 -15.6 6.6 -10.1 10 92 A W - 0 0 18 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.530 30.7-150.9 -64.8 128.2 -18.7 8.8 -10.9 11 93 A R S S+ 0 0 243 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.619 78.6 53.7 -78.7 -13.8 -19.8 7.8 -14.4 12 94 A K - 0 0 106 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.665 69.9-144.4-113.6 171.0 -21.2 11.3 -15.0 13 95 A T S S+ 0 0 79 -2,-0.2 36,-2.2 1,-0.1 2,-0.8 0.718 83.0 74.3-107.2 -33.9 -19.7 14.8 -14.6 14 96 A H E -b 49 0B 99 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.778 67.9-178.9 -82.3 110.0 -22.7 16.8 -13.3 15 97 A L E -b 50 0B 0 34,-2.5 36,-2.2 -2,-0.8 2,-0.3 -0.884 15.5-146.3-113.1 142.6 -23.1 15.7 -9.6 16 98 A T E -b 51 0B 23 -2,-0.4 44,-2.5 34,-0.2 43,-0.4 -0.837 12.8-170.4-106.4 144.9 -25.7 16.9 -7.1 17 99 A Y E -bc 52 60B 12 34,-2.5 36,-2.7 -2,-0.3 2,-0.4 -0.969 5.8-162.7-130.5 150.9 -25.2 17.4 -3.4 18 100 A R E -bc 53 61B 61 42,-1.9 44,-3.4 -2,-0.3 2,-0.9 -1.000 17.6-141.9-132.3 131.4 -27.6 18.1 -0.5 19 101 A I E - c 0 62B 15 34,-0.5 44,-0.2 -2,-0.4 42,-0.1 -0.847 22.6-171.8 -89.1 103.2 -26.8 19.4 2.9 20 102 A V - 0 0 60 42,-3.0 2,-0.3 -2,-0.9 43,-0.2 0.871 58.7 -15.6 -71.6 -42.2 -29.2 17.3 4.9 21 103 A N - 0 0 67 41,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.872 68.5-110.6-152.2-176.2 -28.8 19.0 8.3 22 104 A Y - 0 0 56 -2,-0.3 6,-0.1 41,-0.1 42,-0.0 -0.937 17.3-117.8-134.2 147.1 -26.5 21.3 10.3 23 105 A T > - 0 0 7 -2,-0.3 3,-0.5 1,-0.1 8,-0.1 -0.460 19.5-136.5 -70.8 147.3 -24.0 21.3 13.2 24 106 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.653 94.0 79.8 -72.3 -14.6 -24.8 23.5 16.2 25 107 A D T 3 S+ 0 0 40 75,-0.1 78,-0.0 2,-0.0 75,-0.0 0.674 99.0 23.2 -71.0 -21.7 -21.2 24.7 16.2 26 108 A L S < S- 0 0 31 -3,-0.5 2,-0.1 79,-0.1 79,-0.1 -0.889 87.8 -89.3-136.7 164.0 -21.5 27.3 13.4 27 109 A P >> - 0 0 90 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.475 45.7-112.2 -66.4 152.8 -24.0 29.5 11.6 28 110 A K H 3> S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.810 116.0 56.7 -58.1 -35.2 -25.6 27.7 8.6 29 111 A D H 3> S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.818 103.3 54.1 -68.0 -33.3 -23.8 30.1 6.1 30 112 A A H <> S+ 0 0 18 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.856 110.6 46.2 -67.0 -37.4 -20.4 29.1 7.4 31 113 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.920 113.2 49.3 -70.3 -46.3 -21.2 25.4 6.9 32 114 A D H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 112.4 49.1 -53.3 -47.2 -22.5 26.2 3.4 33 115 A S H X S+ 0 0 65 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.904 110.6 48.2 -63.7 -46.0 -19.4 28.2 2.6 34 116 A A H X S+ 0 0 11 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.864 114.1 48.1 -63.1 -37.8 -17.0 25.4 3.9 35 117 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 113.7 45.3 -68.3 -48.8 -18.9 22.8 1.8 36 118 A E H X S+ 0 0 67 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.925 115.3 47.7 -59.2 -47.3 -18.9 25.0 -1.4 37 119 A K H X S+ 0 0 117 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.814 110.6 53.1 -64.5 -32.5 -15.2 25.8 -0.9 38 120 A A H X S+ 0 0 0 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.878 110.2 47.3 -67.3 -40.7 -14.6 22.1 -0.3 39 121 A L H >X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.858 107.3 57.0 -66.7 -37.8 -16.3 21.2 -3.6 40 122 A K H 3X S+ 0 0 95 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.848 93.6 66.6 -66.3 -37.1 -14.4 23.9 -5.5 41 123 A V H 3< S+ 0 0 17 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.881 116.8 28.3 -45.3 -42.3 -11.0 22.4 -4.5 42 124 A W H << S+ 0 0 0 -4,-0.7 3,-0.4 -3,-0.6 6,-0.3 0.822 117.5 57.7 -91.3 -38.4 -12.0 19.4 -6.7 43 125 A E H >< S+ 0 0 75 -4,-2.8 3,-1.0 1,-0.2 -3,-0.2 0.838 101.2 57.9 -60.6 -37.2 -14.3 21.2 -9.2 44 126 A E T 3< S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.830 111.6 39.2 -66.6 -34.8 -11.5 23.6 -10.3 45 127 A V T 3 S+ 0 0 40 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 -0.084 116.7 49.1-111.3 32.4 -9.1 20.9 -11.4 46 128 A T S < S- 0 0 4 -3,-1.0 113,-0.1 2,-0.2 109,-0.1 -0.950 86.1-110.0-151.3 168.6 -11.6 18.5 -13.0 47 129 A P S S+ 0 0 53 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.378 79.8 122.2 -79.7 6.2 -14.4 18.6 -15.5 48 130 A L - 0 0 0 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.423 45.6-163.4 -73.3 140.4 -16.8 17.9 -12.6 49 131 A T E -b 14 0B 65 -36,-2.2 -34,-2.5 -2,-0.1 2,-0.5 -0.995 5.7-151.4-126.3 130.1 -19.6 20.4 -11.8 50 132 A F E -b 15 0B 38 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.862 11.8-175.8-106.5 129.5 -21.5 20.4 -8.5 51 133 A S E -b 16 0B 34 -36,-2.2 -34,-2.5 -2,-0.5 2,-0.3 -0.926 21.6-124.7-119.8 149.5 -25.1 21.6 -8.1 52 134 A R E -b 17 0B 49 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.713 19.3-165.2 -97.8 142.0 -27.1 21.9 -4.8 53 135 A L E -b 18 0B 61 -36,-2.7 -34,-0.5 -2,-0.3 5,-0.1 -0.929 15.6-172.8-121.9 149.5 -30.4 20.3 -3.9 54 136 A Y S S+ 0 0 167 -2,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.494 75.5 41.0-115.0 -13.5 -32.8 21.1 -1.0 55 137 A E S S+ 0 0 169 2,-0.0 -1,-0.0 0, 0.0 -35,-0.0 -0.857 100.5 1.8-124.6 164.6 -35.2 18.2 -1.5 56 138 A G S S- 0 0 40 -2,-0.3 2,-0.7 1,-0.1 -3,-0.1 0.202 99.4 -24.9 62.3-172.1 -34.9 14.5 -2.4 57 139 A E - 0 0 157 4,-0.0 2,-0.2 -40,-0.0 -1,-0.1 -0.688 56.0-173.7 -85.3 111.9 -31.8 12.3 -3.0 58 140 A A - 0 0 7 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.662 35.9-115.0 -92.6 160.0 -28.7 14.0 -4.2 59 141 A D S S+ 0 0 33 -43,-0.4 2,-0.8 1,-0.3 -42,-0.2 0.952 110.2 40.0 -58.9 -52.1 -25.6 12.0 -5.2 60 142 A I E S-c 17 0B 0 -44,-2.5 -42,-1.9 35,-0.1 2,-0.6 -0.850 77.5-167.4-103.7 96.4 -23.5 13.4 -2.3 61 143 A M E -c 18 0B 20 -2,-0.8 35,-1.9 -3,-0.2 2,-0.5 -0.779 7.7-159.1 -84.6 121.9 -25.7 13.6 0.8 62 144 A I E +cd 19 96B 3 -44,-3.4 -42,-3.0 -2,-0.6 -41,-0.7 -0.904 21.7 157.6-106.7 124.2 -23.9 15.7 3.5 63 145 A S E - d 0 97B 18 33,-2.0 35,-1.9 -2,-0.5 2,-0.4 -0.951 37.5-129.3-142.7 161.9 -24.9 15.3 7.1 64 146 A F E + d 0 98B 12 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.942 39.2 160.5-109.5 134.0 -23.8 15.8 10.7 65 147 A A E - d 0 99B 14 33,-2.6 35,-2.9 -2,-0.4 36,-0.4 -0.936 28.6-143.1-147.3 167.1 -24.2 12.8 13.1 66 148 A V - 0 0 65 -2,-0.3 33,-0.0 2,-0.2 10,-0.0 -0.980 63.4 -31.2-132.7 146.3 -23.1 11.3 16.4 67 149 A R S S+ 0 0 143 -2,-0.3 8,-2.8 7,-0.1 2,-0.4 -0.145 123.7 13.2 53.8-131.5 -22.5 7.6 17.4 68 150 A E + 0 0 120 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.637 67.8 160.0 -77.7 130.2 -24.8 5.3 15.5 69 151 A H - 0 0 47 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.013 68.4 -67.3-149.2 31.4 -26.5 7.0 12.5 70 152 A G S S+ 0 0 74 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.568 103.5 81.1 100.2 12.3 -27.7 4.4 10.0 71 153 A D S S- 0 0 15 21,-0.0 -1,-0.3 0, 0.0 -2,-0.3 -0.834 87.9 -97.7-137.6 179.7 -24.6 2.9 8.6 72 154 A F S S+ 0 0 182 -2,-0.3 -4,-0.0 1,-0.2 -2,-0.0 0.377 107.2 66.7 -81.7 4.7 -22.0 0.3 9.5 73 155 A Y - 0 0 136 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.655 69.7-167.6-130.4 74.8 -19.5 2.8 10.8 74 156 A P - 0 0 69 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.297 27.3-110.2 -63.1 146.8 -20.8 4.5 14.0 75 157 A F - 0 0 9 -8,-2.8 -9,-0.1 1,-0.1 7,-0.1 -0.248 18.7-137.8 -74.1 171.1 -18.9 7.6 15.2 76 158 A D - 0 0 55 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 -0.042 38.3-103.4-130.4 27.7 -16.8 7.5 18.4 77 159 A G S S- 0 0 1 3,-0.0 -1,-0.5 4,-0.0 24,-0.2 -0.280 79.0 -5.0 75.7-168.4 -17.3 10.7 20.4 78 160 A P S S+ 0 0 92 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.290 118.2 2.9 -59.4 139.9 -14.9 13.6 20.5 79 161 A G S S+ 0 0 30 1,-0.2 -3,-0.3 3,-0.0 2,-0.2 -0.193 98.1 65.7 75.8-171.8 -11.5 13.0 18.8 80 162 A N S S+ 0 0 124 -5,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.423 105.9 28.8 58.9-122.5 -10.4 10.0 16.7 81 163 A V + 0 0 36 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.547 63.5 176.3 -69.2 116.3 -12.7 9.7 13.6 82 164 A L - 0 0 13 -2,-0.5 17,-2.9 1,-0.3 2,-0.3 0.817 65.0 -20.9 -87.9 -37.3 -13.7 13.3 12.8 83 165 A A E -E 98 0B 0 15,-0.3 -1,-0.3 33,-0.1 2,-0.3 -0.973 55.0-162.1-159.4 166.1 -15.6 12.4 9.6 84 166 A H E -E 97 0B 26 13,-2.4 13,-3.3 -2,-0.3 2,-0.3 -0.977 4.8-168.4-151.1 162.9 -16.0 9.7 6.8 85 167 A A E -E 96 0B 15 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.929 20.2-113.4-145.6 167.5 -17.4 9.5 3.3 86 168 A Y - 0 0 34 9,-2.1 40,-0.2 -2,-0.3 3,-0.1 -0.764 29.0-104.5-112.0 151.0 -18.3 6.8 0.8 87 169 A A - 0 0 16 -2,-0.3 7,-1.2 1,-0.2 8,-0.2 -0.173 59.0 -70.3 -62.6 160.7 -16.9 5.9 -2.6 88 170 A P S S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.208 86.8 85.0 -54.9 142.9 -18.9 6.8 -5.8 89 171 A G S S- 0 0 25 4,-0.3 2,-0.1 35,-0.1 -3,-0.0 -0.947 75.1 -45.6 156.3-171.1 -22.1 4.8 -6.4 90 172 A P S > S+ 0 0 109 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.463 97.8 1.3 -85.6 161.5 -25.8 4.7 -5.6 91 173 A G T 3 S+ 0 0 65 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.459 136.9 1.0 69.4-127.7 -27.4 5.1 -2.1 92 174 A I T > S+ 0 0 62 -2,-0.2 3,-2.0 2,-0.1 -6,-0.3 0.701 108.0 108.5 -67.9 -21.7 -25.0 5.8 0.7 93 175 A N T < S+ 0 0 57 -3,-1.5 -4,-0.3 1,-0.3 -6,-0.1 -0.322 83.3 19.4 -57.3 137.6 -22.2 5.7 -1.8 94 176 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 1,-0.3 30,-0.1 0.189 96.9 128.9 84.4 -15.5 -20.8 9.2 -2.4 95 177 A D < - 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