==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUL-99 1C8T . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.L.STEELE,O.EL-KABBANI,P.DUNTEN,R.L.CROWTHER . 336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 26 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 19.9 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 0 2 0 2 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 86 A F 0 0 86 0, 0.0 2,-0.1 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 -62.2 -5.9 -4.4 2.2 2 87 A P + 0 0 21 0, 0.0 247,-0.0 0, 0.0 248,-0.0 -0.325 360.0 58.4 -82.3 174.5 -6.4 -8.2 2.7 3 88 A G S S- 0 0 43 -2,-0.1 235,-0.0 2,-0.0 246,-0.0 0.780 93.5 -75.6 71.1 123.2 -3.6 -10.7 1.8 4 89 A I - 0 0 107 1,-0.1 2,-1.5 156,-0.0 -1,-0.0 -0.189 44.2-146.2 -52.7 113.9 0.1 -11.0 3.0 5 90 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.534 51.8 115.4 -95.6 76.7 1.9 -8.2 1.2 6 91 A K S S- 0 0 60 -2,-1.5 2,-0.3 78,-0.1 117,-0.1 -0.852 72.5 -92.9-132.4 165.2 5.4 -9.7 0.6 7 92 A W - 0 0 13 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.615 28.2-150.3 -78.8 146.5 7.5 -10.7 -2.4 8 93 A R S S+ 0 0 142 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.565 80.2 59.1 -93.5 -15.0 6.9 -14.4 -3.2 9 94 A K S S- 0 0 97 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.808 71.3-148.3-110.2 154.2 10.4 -14.8 -4.6 10 95 A T S S+ 0 0 80 -2,-0.3 2,-1.9 1,-0.1 36,-1.7 0.770 82.2 79.2 -94.2 -39.0 13.6 -14.2 -2.7 11 96 A H E +a 46 0A 103 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.466 66.9 178.4 -72.9 81.7 15.7 -13.0 -5.6 12 97 A L E -a 47 0A 0 -2,-1.9 36,-1.1 34,-1.2 2,-0.3 -0.567 13.2-150.0 -87.9 149.0 14.5 -9.4 -5.9 13 98 A T E -a 48 0A 23 34,-0.2 44,-2.1 -2,-0.2 2,-0.3 -0.787 13.2-173.1-112.5 165.0 16.0 -7.0 -8.5 14 99 A Y E -ab 49 57A 16 34,-1.4 36,-1.8 -2,-0.3 2,-0.4 -0.989 10.5-155.3-162.8 154.6 16.5 -3.2 -8.5 15 100 A R E - b 0 58A 55 42,-1.9 44,-3.9 -2,-0.3 2,-0.7 -0.976 16.1-143.9-142.0 124.7 17.5 -0.2 -10.6 16 101 A I E - b 0 59A 14 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.717 21.3-175.2 -82.2 111.9 18.8 3.2 -10.0 17 102 A V - 0 0 70 42,-3.4 2,-0.3 -2,-0.7 43,-0.2 0.776 61.7 -17.2 -77.6 -30.0 17.1 5.2 -12.7 18 103 A N - 0 0 62 41,-0.7 -1,-0.3 -3,-0.1 2,-0.2 -0.977 65.4-116.9-168.9 167.5 18.8 8.5 -12.0 19 104 A Y - 0 0 63 -2,-0.3 6,-0.1 41,-0.1 41,-0.0 -0.704 20.2-109.5-121.9 170.4 20.8 10.4 -9.5 20 105 A T > - 0 0 6 -2,-0.2 3,-0.9 3,-0.1 8,-0.1 -0.685 15.0-137.7 -98.8 143.7 20.8 13.5 -7.3 21 106 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 79,-0.0 0.788 95.7 78.7 -65.6 -27.5 22.9 16.6 -7.8 22 107 A D T 3 S+ 0 0 35 77,-0.1 78,-0.0 75,-0.1 75,-0.0 0.783 100.7 19.4 -53.8 -36.6 23.5 16.6 -4.0 23 108 A L S < S- 0 0 18 -3,-0.9 -3,-0.1 79,-0.1 5,-0.1 -0.987 89.0 -85.8-141.8 153.5 26.1 13.9 -3.9 24 109 A P > - 0 0 75 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.063 43.7-117.4 -51.0 152.6 28.6 12.1 -6.1 25 110 A K H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.980 114.6 54.3 -63.1 -50.6 27.1 9.1 -8.0 26 111 A D H > S+ 0 0 116 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.817 104.3 58.7 -57.2 -21.0 29.3 6.5 -6.2 27 112 A A H > S+ 0 0 16 -3,-0.3 4,-2.4 2,-0.2 3,-0.4 0.997 108.5 42.9 -65.0 -53.3 28.0 8.0 -3.0 28 113 A V H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.3 -2,-0.2 0.841 111.6 53.9 -57.2 -42.2 24.4 7.2 -3.9 29 114 A D H X S+ 0 0 19 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.874 112.6 44.7 -62.6 -44.0 25.2 3.8 -5.3 30 115 A S H X S+ 0 0 48 -4,-1.7 4,-2.4 -3,-0.4 -2,-0.2 0.858 108.8 53.7 -70.6 -39.3 26.9 2.9 -2.0 31 116 A A H X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.771 113.2 48.0 -64.2 -24.0 24.1 4.3 0.3 32 117 A V H X S+ 0 0 6 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.883 107.9 50.5 -84.8 -43.8 21.8 2.1 -1.7 33 118 A E H X S+ 0 0 71 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.933 113.9 46.5 -64.0 -40.2 23.8 -1.1 -1.6 34 119 A K H X S+ 0 0 93 -4,-2.4 4,-2.7 2,-0.2 3,-0.5 0.944 108.1 56.8 -64.0 -44.9 24.1 -0.7 2.2 35 120 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.3 3,-0.4 0.953 110.0 45.8 -48.0 -49.0 20.3 0.1 2.4 36 121 A L H X S+ 0 0 6 -4,-2.5 4,-1.0 1,-0.2 -1,-0.3 0.764 111.4 51.3 -63.0 -31.8 19.8 -3.3 0.7 37 122 A K H X S+ 0 0 108 -4,-1.5 4,-2.4 -3,-0.5 -1,-0.2 0.774 92.8 71.0 -78.6 -34.2 22.2 -5.1 2.9 38 123 A V H < S+ 0 0 5 -4,-2.7 -1,-0.2 -3,-0.4 -2,-0.2 0.915 111.6 35.3 -52.1 -31.9 20.6 -3.8 6.1 39 124 A W H >< S+ 0 0 0 -4,-0.8 3,-0.6 -5,-0.2 -2,-0.3 0.720 109.9 62.2 -97.7 -20.1 17.8 -6.2 4.9 40 125 A E H >< S+ 0 0 72 -4,-1.0 3,-2.0 1,-0.2 -2,-0.2 0.984 100.8 54.4 -65.4 -50.4 20.1 -8.9 3.5 41 126 A E T 3< S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.595 112.5 42.3 -57.5 -12.7 21.7 -9.5 6.9 42 127 A V T < S+ 0 0 17 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.264 119.7 24.8-123.5 13.0 18.4 -10.1 8.7 43 128 A T S < S- 0 0 4 -3,-2.0 123,-0.1 -4,-0.3 119,-0.1 -0.908 81.8 -98.6-154.8-175.0 16.5 -12.3 6.1 44 129 A P S S+ 0 0 38 0, 0.0 -4,-0.1 0, 0.0 -34,-0.1 0.705 77.2 119.8 -83.3 -28.0 16.9 -14.7 3.2 45 130 A L - 0 0 4 -6,-0.2 2,-0.4 -36,-0.1 -34,-0.2 0.022 44.1-161.9 -43.9 146.3 16.4 -12.1 0.5 46 131 A T E -a 11 0A 56 -36,-1.7 -34,-1.2 2,-0.0 2,-0.3 -0.998 2.9-151.4-135.2 139.4 19.0 -11.3 -2.2 47 132 A F E -a 12 0A 25 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.802 10.7-177.9-112.7 145.8 19.3 -8.3 -4.5 48 133 A S E -a 13 0A 41 -36,-1.1 -34,-1.4 -2,-0.3 2,-0.1 -0.998 24.7-129.0-140.2 126.7 20.9 -7.9 -8.0 49 134 A R E -a 14 0A 44 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.440 16.0-157.4 -81.2 154.6 21.1 -4.6 -9.8 50 135 A L - 0 0 44 -36,-1.8 -34,-0.4 -2,-0.1 3,-0.1 -0.919 14.2-160.6-125.8 154.6 19.9 -3.9 -13.3 51 136 A Y S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.127 80.3 14.7-119.7 14.6 21.0 -1.1 -15.7 52 137 A E S S+ 0 0 146 1,-0.1 -1,-0.2 2,-0.0 -35,-0.0 -0.960 96.4 43.6-170.8 163.5 18.0 -1.4 -18.0 53 138 A G S S- 0 0 48 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.098 94.5 -49.3 75.8 163.9 14.5 -3.0 -18.2 54 139 A E - 0 0 128 4,-0.0 2,-0.2 -40,-0.0 3,-0.1 -0.605 58.8-170.3 -83.4 127.6 11.9 -3.0 -15.4 55 140 A A - 0 0 6 -2,-0.4 -41,-0.2 1,-0.1 3,-0.2 -0.679 33.7-111.2-110.4 159.2 13.1 -4.1 -12.0 56 141 A D S S+ 0 0 20 -43,-0.2 2,-0.8 1,-0.2 -42,-0.2 0.983 111.5 35.5 -55.3 -62.0 11.2 -4.9 -8.8 57 142 A I E S-b 14 0A 0 -44,-2.1 -42,-1.9 35,-0.1 2,-0.6 -0.896 77.4-164.4-101.6 106.5 12.5 -1.9 -6.9 58 143 A M E -b 15 0A 19 -2,-0.8 35,-2.4 -44,-0.2 2,-0.5 -0.893 10.6-159.9 -90.4 116.4 12.8 1.0 -9.3 59 144 A I E +bc 16 93A 3 -44,-3.9 -42,-3.4 -2,-0.6 -41,-0.7 -0.924 22.7 149.3-105.8 122.9 15.0 3.7 -7.5 60 145 A S E - c 0 94A 20 33,-1.4 35,-2.1 -2,-0.5 2,-0.4 -0.988 40.5-123.7-149.0 160.3 14.9 7.3 -8.6 61 146 A F E + c 0 95A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.844 41.9 156.8-105.8 131.3 15.2 10.9 -7.4 62 147 A A E - c 0 96A 20 33,-2.6 35,-3.8 -2,-0.4 36,-0.4 -0.909 31.1-140.1-143.2-178.2 12.4 13.4 -8.1 63 148 A V - 0 0 68 -2,-0.3 33,-0.1 33,-0.3 10,-0.0 -0.994 60.4 -31.5-142.8 136.5 10.5 16.6 -7.2 64 149 A R S S+ 0 0 139 -2,-0.3 8,-1.5 7,-0.1 9,-0.1 -0.081 120.2 13.5 53.1-150.9 6.8 17.6 -7.1 65 150 A E S S+ 0 0 112 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.424 74.2 156.5 -58.7 121.3 4.4 15.8 -9.4 66 151 A H - 0 0 48 2,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.316 66.6 -60.3-139.1 22.7 6.5 12.9 -10.8 67 152 A G S S+ 0 0 67 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.527 103.1 71.0 117.0 14.6 4.3 10.0 -12.1 68 153 A D S S- 0 0 13 186,-0.0 -1,-0.4 1,-0.0 -2,-0.3 -0.903 92.1 -86.3-151.8 174.6 2.2 8.8 -9.2 69 154 A F S S+ 0 0 32 -2,-0.3 -4,-0.0 1,-0.2 185,-0.0 0.710 112.4 59.8 -63.7 -11.0 -0.7 9.6 -6.9 70 155 A Y - 0 0 53 -6,-0.0 -1,-0.2 103,-0.0 -6,-0.0 -0.595 66.6-166.9-130.3 85.1 1.7 11.4 -4.6 71 156 A P - 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0 0 41 9,-2.0 8,-0.7 -2,-0.3 3,-0.1 -0.914 27.4-106.2-115.9 144.1 5.4 0.9 -2.2 84 169 A A - 0 0 30 -2,-0.4 7,-1.9 6,-0.2 8,-0.2 -0.058 56.4 -74.0 -58.1 162.7 4.7 -2.6 -1.0 85 170 A P S S+ 0 0 2 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.018 85.6 81.1 -51.3 155.4 5.8 -5.5 -3.2 86 171 A G S S- 0 0 6 4,-0.2 -3,-0.0 -3,-0.1 -79,-0.0 -0.845 77.8 -28.0 138.2-159.8 3.8 -6.5 -6.4 87 172 A P S > S- 0 0 74 0, 0.0 3,-2.6 0, 0.0 150,-0.0 -0.071 96.9 -13.0 -83.2 173.0 3.8 -5.2 -10.0 88 173 A G T 3 S+ 0 0 47 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.064 136.2 9.8 42.2-126.3 4.6 -1.9 -11.7 89 174 A I T > S+ 0 0 60 2,-0.1 3,-2.2 -32,-0.1 -1,-0.3 0.787 108.0 105.6 -46.7 -33.3 4.8 1.0 -9.2 90 175 A N T < S+ 0 0 50 -3,-2.6 -4,-0.2 1,-0.3 -6,-0.2 -0.182 84.9 18.0 -52.4 143.4 4.7 -1.7 -6.5 91 176 A G T 3 S+ 0 0 0 -7,-1.9 -1,-0.3 -8,-0.7 30,-0.1 0.269 95.7 125.4 78.3 -14.3 8.2 -2.1 -4.9 92 177 A D < - 0 0 11 -3,-2.2 -9,-2.0 -35,-0.3 2,-0.3 -0.360 45.6-152.8 -77.1 168.4 9.6 1.2 -6.3 93 178 A A E -cD 59 82A 0 -35,-2.4 -33,-1.4 -11,-0.2 2,-0.4 -0.984 7.1-160.0-140.2 140.7 11.1 3.9 -4.0 94 179 A H E -cD 60 81A 14 -13,-2.2 -13,-1.1 -2,-0.3 2,-0.5 -0.972 4.2-153.4-128.4 143.1 11.2 7.6 -4.6 95 180 A F E -cD 61 80A 4 -35,-2.1 -33,-2.6 -2,-0.4 2,-0.3 -0.922 17.1-132.8-124.8 121.7 13.4 10.4 -3.2 96 181 A D E > -c 62 0A 0 -17,-1.4 3,-1.2 -2,-0.5 -33,-0.3 -0.407 13.3-161.5 -62.1 110.2 12.4 14.0 -3.0 97 182 A D T 3 S+ 0 0 30 -35,-3.8 -1,-0.2 -2,-0.3 -34,-0.2 0.558 81.7 82.4 -80.9 2.9 15.3 16.0 -4.4 98 183 A D T 3 S+ 0 0 59 -36,-0.4 -1,-0.2 -24,-0.1 2,-0.2 0.680 85.0 75.9 -74.5 -12.5 14.0 19.1 -2.7 99 184 A E S < S- 0 0 14 -3,-1.2 2,-0.8 -20,-0.2 -77,-0.1 -0.551 92.9-119.1 -88.3 157.6 15.8 17.5 0.3 100 185 A Q - 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