==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (PROTEINASE/INHIBITOR) 31-OCT-95 1UMS . 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 . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 0 0 0 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 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 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 0 134 0, 0.0 126,-0.1 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 144.5 -14.6 0.2 7.0 2 84 A R + 0 0 97 121,-0.2 124,-0.3 124,-0.1 123,-0.1 0.293 360.0 79.8 -93.8-141.2 -14.5 -0.7 3.3 3 85 A T + 0 0 13 122,-1.9 123,-0.1 121,-0.3 157,-0.1 0.437 47.7 97.4 57.1 168.9 -14.2 -4.2 1.7 4 86 A F + 0 0 118 155,-0.5 159,-0.1 0, 0.0 158,-0.1 0.745 40.3 37.0 44.2 161.1 -16.6 -7.1 0.9 5 87 A P S S- 0 0 102 0, 0.0 157,-0.1 0, 0.0 158,-0.1 0.812 117.9 -7.1-101.7 166.7 -18.5 -9.0 -0.6 6 88 A G S S- 0 0 50 156,-0.4 157,-0.2 -2,-0.0 4,-0.1 0.668 127.4 -72.0 62.5 14.0 -17.9 -9.8 -4.3 7 89 A I - 0 0 17 155,-0.4 156,-0.1 152,-0.1 153,-0.1 0.275 57.8 -75.2 91.1 154.4 -15.2 -7.1 -3.8 8 90 A P S S- 0 0 29 0, 0.0 2,-1.5 0, 0.0 117,-0.1 0.651 94.5 -30.4 -33.5-153.3 -15.1 -3.3 -3.4 9 91 A K S S+ 0 0 118 116,-0.1 2,-0.3 50,-0.1 -2,-0.1 -0.221 114.6 92.0 -83.2 48.4 -15.7 -1.0 -6.3 10 92 A W - 0 0 30 -2,-1.5 5,-0.0 -4,-0.1 49,-0.0 -0.994 55.9-161.4-142.3 135.8 -14.2 -3.4 -8.9 11 93 A R S S+ 0 0 195 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.112 74.5 81.6-104.1 31.5 -16.0 -6.1 -11.0 12 94 A K - 0 0 96 0, 0.0 3,-0.1 0, 0.0 36,-0.1 -0.971 60.6-158.2-133.2 148.6 -12.6 -7.8 -11.7 13 95 A T S S+ 0 0 41 -2,-0.3 2,-0.1 1,-0.1 37,-0.0 -0.480 88.6 70.6-117.8 50.9 -10.5 -10.3 -9.6 14 96 A H S S+ 0 0 100 34,-0.2 36,-0.2 2,-0.0 -1,-0.1 -0.571 71.5 161.8-168.9 84.2 -7.5 -9.2 -11.7 15 97 A L - 0 0 12 34,-0.4 36,-0.4 -2,-0.1 2,-0.3 -0.409 21.9-144.1-114.5-175.4 -6.5 -5.6 -10.7 16 98 A T - 0 0 7 34,-0.2 43,-1.6 -2,-0.1 44,-0.7 -0.939 2.7-146.5-146.0 166.1 -3.6 -3.2 -11.0 17 99 A Y E -ab 52 60A 0 34,-2.2 36,-1.6 -2,-0.3 2,-0.3 -0.791 10.8-152.4-124.9 171.6 -1.6 -0.4 -9.3 18 100 A R E - b 0 61A 114 42,-1.4 44,-2.7 -2,-0.3 2,-1.5 -0.816 15.2-152.1-152.7 115.4 0.2 2.5 -10.6 19 101 A I E - b 0 62A 3 -2,-0.3 44,-0.2 1,-0.2 42,-0.1 -0.755 21.3-167.1 -82.1 95.0 3.2 4.4 -9.2 20 102 A V S S- 0 0 50 42,-2.6 -1,-0.2 -2,-1.5 43,-0.2 0.969 78.5 -0.4 -43.0 -70.8 2.0 7.6 -11.0 21 103 A N S S- 0 0 77 41,-0.4 2,-0.2 -3,-0.2 41,-0.1 -0.492 75.8-149.9-104.3-178.3 5.5 9.0 -10.1 22 104 A Y - 0 0 93 -2,-0.2 6,-0.1 41,-0.1 10,-0.1 -0.780 21.3-125.3-157.7 107.5 8.2 7.0 -8.1 23 105 A T > - 0 0 0 -2,-0.2 2,-1.0 1,-0.2 3,-0.7 -0.386 23.4-131.6 -64.0 128.9 10.6 9.1 -5.9 24 106 A P T 3 S+ 0 0 79 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.030 81.2 94.0 -82.9 34.6 14.1 8.0 -7.2 25 107 A D T 3 S+ 0 0 56 -2,-1.0 3,-0.1 2,-0.3 78,-0.1 0.891 84.4 37.9 -93.2 -48.1 15.5 7.4 -3.7 26 108 A L S < S- 0 0 33 -3,-0.7 2,-0.2 1,-0.4 -1,-0.1 0.834 143.9 -83.3 -58.4 -38.7 15.1 3.7 -2.8 27 109 A P > - 0 0 61 0, 0.0 4,-1.5 0, 0.0 -1,-0.4 0.192 37.4-110.2 -75.8-172.0 15.8 3.9 -6.0 28 110 A K H > S+ 0 0 94 -4,-0.3 4,-2.1 1,-0.3 3,-0.3 0.898 126.9 52.1 -51.3 -44.7 12.7 4.6 -8.1 29 111 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.811 110.3 44.4 -61.4 -37.9 13.3 1.1 -9.2 30 112 A A H > S+ 0 0 30 -3,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.593 110.5 56.3 -90.0 -6.8 13.5 -0.2 -5.6 31 113 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.817 106.7 49.2 -81.6 -42.6 10.4 1.9 -4.8 32 114 A D H X S+ 0 0 22 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.952 113.9 47.1 -59.5 -48.0 8.5 0.1 -7.6 33 115 A S H X S+ 0 0 38 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.771 106.4 57.0 -63.9 -28.7 9.9 -3.1 -6.0 34 116 A A H X S+ 0 0 4 -4,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.993 119.2 32.1 -67.4 -52.0 8.8 -1.9 -2.5 35 117 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 3,-0.4 0.988 116.7 54.1 -56.7 -79.2 5.1 -1.6 -3.8 36 118 A E H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.664 110.0 50.3 -29.0 -37.2 5.1 -4.5 -6.5 37 119 A K H >X S+ 0 0 101 -4,-1.3 4,-1.2 -5,-0.3 3,-0.8 0.988 108.3 49.9 -70.2 -61.1 6.3 -6.9 -3.7 38 120 A A H >X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.4 3,-0.8 0.910 113.1 49.6 -34.9 -66.3 3.5 -5.7 -1.2 39 121 A L H 3X S+ 0 0 2 -4,-1.5 4,-1.1 1,-0.2 11,-0.3 0.804 100.4 66.4 -33.0 -54.8 1.0 -6.3 -4.1 40 122 A K H X< S+ 0 0 91 -4,-1.4 3,-0.6 -3,-0.8 4,-0.4 0.861 108.0 34.0 -50.5 -51.7 2.4 -9.7 -4.9 41 123 A V H XX S+ 0 0 3 -4,-1.2 4,-1.7 -3,-0.8 3,-1.2 0.821 108.6 66.0 -82.4 -24.3 1.3 -11.5 -1.7 42 124 A W H 3X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.783 104.0 50.1 -58.6 -20.3 -1.8 -9.4 -1.4 43 125 A E H << S+ 0 0 43 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.593 102.6 58.7 -92.9 -12.1 -2.7 -11.3 -4.6 44 126 A E H <4 S+ 0 0 121 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.865 108.6 46.0 -76.8 -39.4 -1.9 -14.7 -3.1 45 127 A V H < S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.1 1.000 116.2 40.7 -69.6 -71.1 -4.5 -14.2 -0.3 46 128 A T S < S- 0 0 0 -4,-1.2 -1,-0.1 -5,-0.1 115,-0.1 -0.662 91.1-113.2 -76.2 136.1 -7.4 -12.9 -2.5 47 129 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.425 87.3 111.9 -9.8 -26.3 -8.3 -14.4 -5.9 48 130 A L - 0 0 0 -6,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.273 60.8-148.6 -68.2 162.0 -7.2 -11.1 -7.2 49 131 A T - 0 0 46 2,-0.0 -34,-0.4 -5,-0.0 2,-0.2 -0.925 15.4-167.0-136.5 105.3 -4.2 -10.7 -9.3 50 132 A F + 0 0 4 -2,-0.4 2,-0.3 -11,-0.3 -34,-0.2 -0.599 18.6 147.7 -90.3 154.1 -2.5 -7.4 -8.8 51 133 A S - 0 0 54 -36,-0.4 -34,-2.2 -2,-0.2 3,-0.2 -0.937 51.4 -65.1-167.0 174.5 0.2 -6.0 -11.1 52 134 A R B S-a 17 0A 81 -2,-0.3 -34,-0.2 -36,-0.2 -20,-0.0 -0.385 85.5 -49.3 -72.1 158.6 1.5 -2.7 -12.4 53 135 A L - 0 0 52 -36,-1.6 -1,-0.2 1,-0.2 3,-0.1 0.043 48.4-177.1 -37.2 103.5 -0.8 -0.6 -14.7 54 136 A Y - 0 0 96 1,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.738 67.5 -56.9 -68.6 -29.7 -2.0 -2.8 -17.5 55 137 A E S S+ 0 0 156 2,-0.3 -1,-0.3 1,-0.0 -39,-0.0 -0.843 100.2 16.4 159.6 167.7 -3.8 0.3 -18.9 56 138 A G S S- 0 0 68 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.168 107.8 -11.6 55.5-130.6 -6.2 3.1 -18.2 57 139 A E - 0 0 155 1,-0.1 -2,-0.3 -3,-0.0 -3,-0.2 -0.284 67.6-152.4 -88.8 174.9 -7.0 3.6 -14.5 58 140 A A - 0 0 6 35,-0.1 -41,-0.2 -2,-0.1 3,-0.2 -0.414 26.5-103.8-133.5-154.3 -6.1 1.3 -11.6 59 141 A D S S+ 0 0 0 -43,-1.6 2,-0.4 1,-0.3 -42,-0.2 0.776 106.6 9.0-107.2 -56.7 -7.2 0.2 -8.1 60 142 A I E S-b 17 0A 0 -44,-0.7 -42,-1.4 64,-0.0 2,-0.4 -0.981 73.3-174.3-130.9 112.2 -4.6 2.1 -5.9 61 143 A M E -bc 18 95A 20 33,-1.2 35,-1.4 32,-0.7 2,-0.4 -0.848 7.9-165.0-111.6 151.8 -2.5 4.7 -7.7 62 144 A I E -bc 19 96A 1 -44,-2.7 -42,-2.6 -2,-0.4 -41,-0.4 -0.997 14.2-171.9-140.3 137.7 0.2 6.3 -5.9 63 145 A S E - c 0 97A 28 33,-1.5 35,-1.4 -2,-0.4 2,-0.2 -0.869 26.0-126.1-120.9 156.4 2.3 9.3 -6.5 64 146 A F E + c 0 98A 51 -2,-0.3 35,-0.2 33,-0.2 -43,-0.1 -0.629 55.9 115.8 -92.2 165.4 5.2 10.2 -4.3 65 147 A A + 0 0 23 33,-2.6 2,-1.2 -2,-0.2 -1,-0.1 -0.110 13.1 119.3-167.6 -82.7 5.2 13.7 -2.9 66 148 A V + 0 0 0 1,-0.2 11,-0.5 34,-0.2 35,-0.2 -0.043 17.4 138.3 -38.1 65.5 5.0 14.8 0.6 67 149 A R S S- 0 0 154 -2,-1.2 -1,-0.2 1,-0.1 32,-0.1 0.650 110.9 -37.3 -68.1 -29.3 8.2 16.7 1.2 68 150 A E S S+ 0 0 140 8,-0.0 -1,-0.1 9,-0.0 -2,-0.0 0.060 92.2 141.3 151.7 87.8 5.4 18.7 3.0 69 151 A H - 0 0 102 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.754 52.1-135.0-100.5 -49.4 2.1 18.6 1.0 70 152 A G + 0 0 52 3,-0.2 3,-0.0 -4,-0.0 14,-0.0 0.974 53.3 131.3 84.2 76.7 -0.3 18.3 4.0 71 153 A D S S- 0 0 48 2,-0.6 14,-0.1 26,-0.1 13,-0.0 0.767 78.8 -41.5-114.9 -69.4 -3.0 15.6 3.3 72 154 A F S S+ 0 0 126 1,-0.6 12,-0.1 14,-0.0 14,-0.1 0.395 118.7 34.8-135.1 -85.3 -3.5 13.1 6.1 73 155 A Y S S- 0 0 59 10,-0.2 -1,-0.6 12,-0.1 -2,-0.6 -0.206 97.5 -85.1 -82.9 174.6 -0.3 11.8 7.8 74 156 A P - 0 0 49 0, 0.0 9,-0.1 0, 0.0 10,-0.1 -0.033 21.5-128.3 -90.5 21.4 2.7 14.0 8.2 75 157 A F + 0 0 86 -2,-0.3 7,-0.1 7,-0.2 8,-0.0 0.902 43.6 174.5 39.5 44.0 5.4 14.7 5.5 76 158 A D - 0 0 41 5,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.482 31.8-126.3 -73.5 5.5 7.9 13.7 8.3 77 159 A G - 0 0 10 -11,-0.5 2,-0.4 5,-0.1 25,-0.3 -0.104 65.6 -12.5 72.7 170.8 11.1 13.8 6.1 78 160 A P S S+ 0 0 87 0, 0.0 2,-0.1 0, 0.0 24,-0.1 -0.299 124.2 40.4 -70.3 112.5 13.5 10.8 5.9 79 161 A G S S+ 0 0 14 -2,-0.4 2,-0.3 2,-0.2 32,-0.2 0.066 90.1 40.8 119.5 132.2 12.4 8.7 8.6 80 162 A N S S- 0 0 59 30,-1.5 -1,-0.2 61,-0.1 2,-0.1 -0.780 95.9 -35.4 115.6-148.3 9.1 7.8 10.0 81 163 A V + 0 0 11 -2,-0.3 -2,-0.2 30,-0.1 -5,-0.2 -0.062 52.5 179.6 -87.9-161.0 6.0 6.9 8.3 82 164 A L + 0 0 6 1,-0.2 17,-0.7 -7,-0.1 2,-0.4 0.538 35.5 105.6-170.3 -25.8 5.1 8.5 5.2 83 165 A A E -D 98 0A 2 15,-0.2 2,-0.7 16,-0.1 -1,-0.2 -0.711 36.2-170.6 -84.6 132.1 1.9 7.6 3.3 84 166 A H E +D 97 0A 0 13,-2.2 13,-0.7 -2,-0.4 2,-0.2 -0.856 36.4 159.0-121.8 84.6 -0.8 10.2 3.6 85 167 A A E -D 96 0A 3 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.647 29.4-164.8-105.5 158.9 -3.3 7.9 2.0 86 168 A Y E -D 95 0A 50 9,-2.2 9,-1.5 1,-0.3 8,-0.2 -0.878 37.3 -70.9-162.1 122.8 -7.1 7.8 1.9 87 169 A A - 0 0 14 -2,-0.3 8,-1.3 7,-0.2 7,-0.9 0.790 47.7 -86.8 15.5 178.2 -9.4 4.9 0.8 88 170 A P S S+ 0 0 2 0, 0.0 6,-2.4 0, 0.0 7,-0.4 0.755 117.4 22.9 -70.3-113.9 -10.4 3.2 -2.5 89 171 A G S S+ 0 0 15 4,-0.3 4,-0.3 5,-0.1 2,-0.1 0.691 114.1 76.2 -15.1 -67.9 -13.3 5.1 -4.1 90 172 A P S S+ 0 0 64 0, 0.0 5,-0.7 0, 0.0 4,-0.5 -0.370 101.0 8.8 -55.0 124.2 -12.4 8.4 -2.1 91 173 A G S S- 0 0 37 -2,-0.1 2,-1.0 2,-0.1 3,-0.1 -0.418 134.4 -23.0 94.0-172.9 -9.4 10.2 -3.7 92 174 A I S S- 0 0 83 1,-0.2 -31,-0.4 -2,-0.1 4,-0.1 -0.679 113.6 -77.8 -69.7 107.4 -7.8 9.2 -7.0 93 175 A N S S+ 0 0 35 -2,-1.0 -32,-0.7 -4,-0.3 -4,-0.3 0.251 121.2 7.0 -24.3 109.0 -9.4 5.8 -6.4 94 176 A G S S- 0 0 0 -6,-2.4 -33,-1.2 -7,-0.9 2,-0.5 0.983 96.1-165.7 74.5 64.5 -7.1 4.2 -3.8 95 177 A D E +cD 61 86A 11 -9,-1.5 -9,-2.2 -8,-1.3 2,-0.4 -0.757 17.9 165.2 -94.7 128.5 -5.0 7.4 -3.3 96 178 A A E -cD 62 85A 0 -35,-1.4 -33,-1.5 -2,-0.5 2,-0.5 -0.984 18.3-164.0-138.8 133.5 -1.7 7.3 -1.5 97 179 A H E -cD 63 84A 17 -13,-0.7 -13,-2.2 -2,-0.4 2,-0.4 -0.951 15.3-154.6-111.4 123.0 1.2 10.0 -1.4 98 180 A F E -cD 64 83A 1 -35,-1.4 -33,-2.6 -2,-0.5 2,-0.5 -0.872 33.6 -94.5-106.6 129.6 4.6 8.7 -0.1 99 181 A D > + 0 0 0 -17,-0.7 3,-2.2 -2,-0.4 5,-0.2 -0.123 36.7 177.9 -43.5 94.8 7.1 11.0 1.5 100 182 A D T 3 S+ 0 0 38 -2,-0.5 -1,-0.2 1,-0.3 -34,-0.2 0.611 81.5 81.6 -70.3 -0.6 9.3 12.1 -1.4 101 183 A D T 3 S+ 0 0 30 -35,-0.2 -1,-0.3 -19,-0.1 -34,-0.1 0.846 84.6 74.0 -65.1 -37.7 10.6 13.9 1.7 102 184 A E S < S- 0 0 4 -3,-2.2 2,-0.2 -25,-0.3 10,-0.0 0.108 81.3-134.9 -67.7-174.5 12.4 10.6 2.4 103 185 A Q - 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