==== 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 31-OCT-95 1UMT . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.R.VAN DOREN,A.V.KUROCHKIN,W.HU,E.R.P.ZUIDERWEG . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.4 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 . 1 0.6 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 . 15 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 20.4 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 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 129 0, 0.0 126,-0.1 0, 0.0 125,-0.0 0.000 360.0 360.0 360.0-155.7 -15.7 -0.6 7.5 2 84 A R + 0 0 101 124,-0.4 124,-0.2 126,-0.1 123,-0.1 0.237 360.0 59.2 -70.8-161.5 -14.7 -0.7 3.8 3 85 A T + 0 0 11 122,-1.1 123,-0.1 121,-0.2 157,-0.1 0.277 60.1 101.1 61.6 173.4 -14.0 -3.9 1.7 4 86 A F + 0 0 105 155,-0.5 159,-0.1 0, 0.0 158,-0.1 0.703 36.8 41.1 47.9 159.5 -16.1 -7.0 0.9 5 87 A P S S- 0 0 101 0, 0.0 158,-0.1 0, 0.0 157,-0.1 0.828 115.1 -8.9-103.9 168.2 -18.0 -8.9 -0.7 6 88 A G S S- 0 0 36 156,-0.7 157,-0.2 -2,-0.0 4,-0.1 0.555 124.1 -76.7 66.6 4.3 -17.6 -9.7 -4.4 7 89 A I - 0 0 10 155,-0.2 4,-0.1 152,-0.1 156,-0.1 0.360 53.7 -90.8 83.2 148.2 -14.9 -6.9 -4.0 8 90 A P S S- 0 0 36 0, 0.0 2,-1.5 0, 0.0 117,-0.1 0.710 93.5 -14.8 -43.1-141.8 -15.6 -3.1 -3.8 9 91 A K S S+ 0 0 146 1,-0.2 2,-0.1 116,-0.1 -2,-0.1 -0.140 133.1 50.2 -75.0 41.1 -15.7 -0.9 -7.0 10 92 A W - 0 0 42 -2,-1.5 2,-0.5 -4,-0.1 -1,-0.2 -0.404 63.9-165.5-178.0 90.7 -14.0 -3.5 -9.3 11 93 A R + 0 0 171 -4,-0.1 2,-0.4 -2,-0.1 -2,-0.1 0.047 56.3 107.2 -75.0 26.8 -15.6 -7.0 -9.3 12 94 A K - 0 0 115 -2,-0.5 2,-0.5 2,-0.0 153,-0.1 -0.887 64.9-146.2-111.2 138.9 -12.5 -8.6 -11.1 13 95 A T S S+ 0 0 24 -2,-0.4 2,-0.1 1,-0.2 -2,-0.1 -0.313 90.8 75.9 -92.2 48.2 -9.8 -10.8 -9.6 14 96 A H + 0 0 120 -2,-0.5 36,-0.2 34,-0.2 -1,-0.2 -0.568 66.4 157.2-158.4 76.4 -7.4 -9.2 -12.0 15 97 A L - 0 0 16 34,-1.3 36,-0.5 -2,-0.1 2,-0.3 -0.440 22.6-145.1-109.7 178.7 -6.5 -5.6 -10.8 16 98 A T - 0 0 7 34,-0.2 43,-2.0 -2,-0.1 44,-0.8 -0.887 8.2-164.4-141.7 168.7 -3.7 -3.2 -11.4 17 99 A Y E -ab 52 60A 3 34,-2.0 36,-1.3 -2,-0.3 2,-0.3 -0.906 6.0-162.2-143.4 169.4 -1.5 -0.5 -9.8 18 100 A R E - b 0 61A 98 42,-1.3 44,-2.2 -2,-0.3 2,-1.0 -0.799 24.5-134.3-164.1 124.8 0.8 2.3 -11.1 19 101 A I E - b 0 62A 2 -2,-0.3 44,-0.2 42,-0.2 42,-0.1 -0.703 25.3-166.2 -74.8 105.8 3.5 4.4 -9.6 20 102 A V S S- 0 0 43 42,-1.9 43,-0.2 -2,-1.0 -1,-0.2 0.995 75.6 -7.3 -54.0 -71.2 2.3 7.7 -11.1 21 103 A N S S- 0 0 73 41,-0.5 2,-0.2 -3,-0.1 41,-0.1 0.007 76.4-138.4 -97.7-151.8 5.6 9.3 -10.2 22 104 A Y - 0 0 66 -2,-0.1 42,-0.1 42,-0.1 6,-0.1 -0.734 18.1-122.4-171.4 127.4 8.4 7.8 -8.1 23 105 A T - 0 0 0 -2,-0.2 2,-1.3 40,-0.2 3,-0.3 -0.710 26.8-135.1 -78.6 129.7 10.5 9.7 -5.4 24 106 A P S S+ 0 0 100 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.198 78.3 100.5 -86.0 46.5 14.1 9.3 -6.7 25 107 A D S S+ 0 0 68 -2,-1.3 3,-0.1 1,-0.2 78,-0.1 0.897 93.9 22.5 -90.0 -69.9 15.6 8.4 -3.3 26 108 A L S S- 0 0 41 -3,-0.3 5,-0.2 1,-0.2 -1,-0.2 -0.513 126.1 -69.2 -77.9 167.5 15.8 4.6 -3.8 27 109 A P >> - 0 0 86 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.189 42.2-118.7 -45.5 147.2 15.8 3.9 -7.6 28 110 A K H 3> S+ 0 0 131 1,-0.3 4,-2.2 2,-0.2 3,-0.1 0.914 122.9 51.7 -51.0 -45.7 12.5 4.7 -9.3 29 111 A D H 3> S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.645 108.5 49.9 -60.8 -26.6 12.6 0.9 -10.0 30 112 A A H <> S+ 0 0 29 -3,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.759 111.1 47.1 -90.3 -29.9 13.3 0.2 -6.3 31 113 A V H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.805 115.4 47.4 -75.1 -36.4 10.3 2.4 -5.1 32 114 A D H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.924 112.0 49.5 -68.1 -46.2 8.3 0.5 -7.8 33 115 A S H X S+ 0 0 30 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.794 105.5 57.7 -61.3 -30.2 9.8 -2.7 -6.5 34 116 A A H X S+ 0 0 4 -4,-1.0 4,-1.6 2,-0.2 3,-0.4 0.995 116.3 34.3 -65.0 -55.4 8.8 -1.6 -3.0 35 117 A V H >X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 3,-1.0 0.976 114.8 56.6 -52.8 -76.3 5.1 -1.3 -4.2 36 118 A E H 3X S+ 0 0 87 -4,-2.4 4,-1.3 1,-0.3 -1,-0.2 0.641 106.6 51.7 -28.3 -36.1 5.2 -4.4 -6.7 37 119 A K H 3X S+ 0 0 96 -4,-1.4 4,-1.3 -3,-0.4 3,-0.4 0.964 105.4 53.8 -72.2 -53.1 6.3 -6.6 -3.8 38 120 A A H XX S+ 0 0 0 -4,-1.6 4,-2.4 -3,-1.0 3,-0.6 0.926 111.1 47.9 -37.7 -61.4 3.3 -5.4 -1.7 39 121 A L H 3X S+ 0 0 4 -4,-1.3 4,-1.7 1,-0.2 11,-0.3 0.843 100.7 68.5 -41.5 -50.3 1.1 -6.5 -4.6 40 122 A K H 3X S+ 0 0 125 -4,-1.3 4,-0.6 -3,-0.4 -1,-0.2 0.880 110.9 28.4 -49.2 -52.9 2.9 -9.8 -4.9 41 123 A V H XX S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.6 3,-1.1 0.890 110.7 67.0 -84.2 -34.2 1.6 -11.2 -1.6 42 124 A W H 3X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 6,-0.2 0.814 105.3 48.8 -44.5 -28.8 -1.7 -9.2 -1.7 43 125 A E H 3< S+ 0 0 74 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.750 104.3 56.8 -85.4 -26.3 -2.3 -11.5 -4.7 44 126 A E H << S+ 0 0 105 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.914 112.8 41.8 -64.3 -45.8 -1.3 -14.7 -2.8 45 127 A V H < S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.996 119.0 39.2 -72.4 -66.7 -4.0 -14.0 -0.2 46 128 A T S < S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 115,-0.1 -0.833 88.2-120.3 -85.8 123.4 -7.0 -12.8 -2.4 47 129 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.411 83.1 115.1 -1.6 -27.4 -7.5 -14.6 -5.7 48 130 A L - 0 0 1 -6,-0.2 2,-0.4 112,-0.2 -34,-0.2 -0.124 60.0-146.4 -59.7 165.6 -6.9 -11.2 -7.2 49 131 A T - 0 0 41 2,-0.0 -34,-1.3 -5,-0.0 2,-0.3 -0.941 13.4-165.6-140.9 113.5 -3.9 -10.6 -9.3 50 132 A F + 0 0 9 -2,-0.4 2,-0.3 -11,-0.3 -34,-0.2 -0.700 17.8 151.3 -98.4 154.9 -2.3 -7.3 -9.2 51 133 A S - 0 0 55 -36,-0.5 -34,-2.0 -2,-0.3 3,-0.2 -0.950 50.7 -64.3-167.8 164.0 0.2 -5.9 -11.7 52 134 A R B S-a 17 0A 74 -2,-0.3 -34,-0.2 -36,-0.2 0, 0.0 -0.113 86.2 -49.9 -52.8 159.9 1.4 -2.5 -13.1 53 135 A L - 0 0 60 -36,-1.3 -1,-0.2 1,-0.1 3,-0.1 0.013 45.9-176.3 -42.4 125.7 -1.2 -0.5 -15.2 54 136 A Y - 0 0 122 1,-0.4 2,-0.2 3,-0.2 -1,-0.1 0.849 68.1 -46.0 -83.4 -44.7 -2.9 -2.5 -17.9 55 137 A E S S+ 0 0 171 2,-0.3 -1,-0.4 0, 0.0 -39,-0.0 -0.907 101.7 3.6 179.5 163.8 -4.8 0.6 -19.2 56 138 A G S S- 0 0 69 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.136 109.3 -8.6 53.7-135.1 -6.8 3.6 -18.0 57 139 A E - 0 0 144 1,-0.1 -2,-0.3 -4,-0.0 -3,-0.2 -0.326 69.4-146.5 -84.7 168.7 -7.2 4.0 -14.3 58 140 A A - 0 0 6 35,-0.2 3,-0.2 -2,-0.1 -41,-0.2 -0.600 27.0-103.8-129.1-173.7 -6.1 1.5 -11.6 59 141 A D S S+ 0 0 0 -43,-2.0 2,-0.4 1,-0.4 -42,-0.2 0.940 110.0 4.3 -75.6 -56.5 -7.0 0.2 -8.2 60 142 A I E S-b 17 0A 0 -44,-0.8 -42,-1.3 -3,-0.1 2,-0.4 -0.988 70.5-176.0-136.8 114.3 -4.2 2.1 -6.4 61 143 A M E -bc 18 95A 26 33,-1.3 35,-1.3 32,-0.4 2,-0.5 -0.946 15.8-150.5-120.6 136.5 -2.0 4.5 -8.2 62 144 A I E +bc 19 96A 0 -44,-2.2 -42,-1.9 -2,-0.4 -41,-0.5 -0.950 17.0 177.6-121.5 125.1 0.7 6.1 -6.3 63 145 A S E - c 0 97A 17 33,-1.8 35,-1.4 -2,-0.5 2,-0.4 -0.237 27.9-112.1-103.7-170.8 2.4 9.4 -6.6 64 146 A F E + c 0 98A 54 33,-0.3 2,-0.3 -42,-0.1 35,-0.2 -0.995 54.9 99.8-140.9 132.7 5.1 11.0 -4.5 65 147 A A + 0 0 11 33,-1.4 35,-0.4 -2,-0.4 19,-0.2 -0.881 7.7 145.7-179.2 177.7 5.1 14.0 -2.2 66 148 A V > + 0 0 0 33,-0.3 3,-1.1 -2,-0.3 2,-1.1 -0.083 36.0 120.3 173.1 -45.5 4.8 14.8 1.6 67 149 A R T 3 S- 0 0 154 1,-0.3 -1,-0.1 7,-0.1 9,-0.0 -0.251 108.8 -47.3 -57.7 87.2 6.9 17.9 2.3 68 150 A E T 3 S+ 0 0 166 -2,-1.1 -1,-0.3 -3,-0.1 0, 0.0 0.880 89.9 147.2 32.3 76.0 3.9 19.9 3.7 69 151 A H < - 0 0 93 -3,-1.1 -2,-0.1 0, 0.0 -1,-0.1 0.783 56.0-121.4 -91.0 -44.0 1.5 19.1 0.9 70 152 A G + 0 0 63 -4,-0.3 -3,-0.0 0, 0.0 3,-0.0 0.899 67.9 107.1 90.0 84.2 -1.7 19.2 3.0 71 153 A D S S- 0 0 57 -5,-0.1 14,-0.1 1,-0.0 -5,-0.0 0.259 79.3 -40.2-144.4 -94.9 -3.5 15.8 2.7 72 154 A F S S- 0 0 66 14,-0.0 12,-0.1 0, 0.0 14,-0.1 0.639 117.0 -12.3-120.9 -84.8 -3.8 12.8 5.2 73 155 A Y S S+ 0 0 72 10,-0.1 3,-0.4 9,-0.1 8,-0.1 -0.275 94.9 156.8-114.2 42.6 -0.7 11.9 7.4 74 156 A P + 0 0 18 0, 0.0 -7,-0.1 0, 0.0 -8,-0.1 0.226 34.5 20.6 -72.3-170.4 1.9 14.0 5.5 75 157 A F + 0 0 122 -9,-0.7 -9,-0.1 1,-0.2 7,-0.1 0.352 54.1 137.3 34.2 28.4 5.3 15.5 5.9 76 158 A D - 0 0 55 -3,-0.4 -1,-0.2 5,-0.2 6,-0.1 0.563 59.2-145.2 -74.3 5.5 6.9 13.8 8.9 77 159 A G + 0 0 9 5,-0.1 25,-0.2 3,-0.0 -1,-0.1 0.062 48.8 0.4 59.5 180.0 10.1 13.9 6.7 78 160 A P S S+ 0 0 83 0, 0.0 3,-0.1 0, 0.0 24,-0.1 -0.034 118.3 25.6 -57.9 138.0 12.9 11.1 6.5 79 161 A G S S+ 0 0 17 1,-0.2 2,-0.3 30,-0.1 32,-0.2 0.464 96.5 55.1 80.2 137.2 12.3 8.3 8.7 80 162 A N S S- 0 0 74 30,-1.1 2,-0.2 61,-0.0 -1,-0.2 -0.876 94.5 -54.9 119.1-140.0 8.9 7.2 9.9 81 163 A V + 0 0 1 -2,-0.3 -5,-0.2 30,-0.1 32,-0.1 -0.618 49.8 165.9-124.7-179.8 6.0 6.4 7.8 82 164 A L + 0 0 1 -2,-0.2 2,-0.5 -7,-0.1 17,-0.3 0.504 22.3 135.1-179.9 8.1 4.5 8.5 5.2 83 165 A A - 0 0 2 15,-0.2 2,-0.8 16,-0.1 15,-0.2 -0.719 37.2-164.0 -72.4 128.7 2.0 7.2 2.6 84 166 A H E +D 97 0A 0 13,-2.2 13,-0.7 -2,-0.5 2,-0.1 -0.905 34.7 154.0-123.9 87.9 -0.5 10.1 2.9 85 167 A A E -D 96 0A 0 -2,-0.8 2,-0.3 11,-0.2 11,-0.2 -0.387 43.8-130.2-107.3-179.6 -3.3 8.4 1.1 86 168 A Y E -D 95 0A 55 9,-2.2 9,-0.9 4,-0.2 38,-0.1 -0.967 33.8-102.3-143.3 148.0 -7.0 7.9 0.5 87 169 A A - 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