==== 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 15-FEB-07 2OW1 . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-9 (MMP-9) (92 KDA TYPE I . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TOCHOWICZ,W.BODE,K.MASKOS,P.GOETTIG . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.7 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 2 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 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 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 1 110 A F 0 0 79 0, 0.0 2,-0.4 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 36.7 29.4 13.3 38.3 2 111 A E + 0 0 159 82,-0.1 2,-0.3 81,-0.0 81,-0.0 -0.635 360.0 153.8 -78.6 128.2 27.5 12.7 35.1 3 112 A G + 0 0 23 -2,-0.4 83,-0.1 121,-0.1 0, 0.0 -0.949 31.6 171.4-160.9 137.6 28.6 9.5 33.4 4 113 A D + 0 0 163 -2,-0.3 2,-0.3 81,-0.1 -1,-0.1 0.101 57.7 101.1-129.8 17.7 27.3 7.0 30.9 5 114 A L - 0 0 117 80,-0.3 2,-0.3 3,-0.0 3,-0.0 -0.728 50.6-158.7-107.2 155.4 30.4 5.0 30.3 6 115 A K - 0 0 89 -2,-0.3 2,-0.2 78,-0.1 118,-0.1 -0.811 36.9 -86.1-123.1 166.2 31.6 1.7 31.7 7 116 A W - 0 0 18 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.504 25.7-146.9 -73.0 142.5 35.1 0.3 31.9 8 117 A H S S+ 0 0 180 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.092 82.1 51.8 -96.8 21.7 36.3 -1.6 28.8 9 118 A H - 0 0 57 1,-0.0 -2,-0.1 0, 0.0 3,-0.1 -0.974 65.8-149.3-150.3 154.4 38.4 -3.9 30.9 10 119 A H S S+ 0 0 71 -2,-0.3 36,-2.8 1,-0.1 2,-1.5 0.527 79.0 87.5-103.0 -11.4 37.6 -6.1 33.9 11 120 A N E -a 46 0A 99 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.597 67.4-173.7 -90.3 75.2 41.1 -6.1 35.5 12 121 A I E -a 47 0A 0 34,-1.6 36,-2.6 -2,-1.5 2,-0.4 -0.464 7.8-156.6 -75.5 138.7 40.5 -2.9 37.5 13 122 A T E -a 48 0A 30 34,-0.2 44,-2.8 -2,-0.2 43,-0.5 -0.896 6.5-166.5-117.0 145.7 43.3 -1.3 39.5 14 123 A Y E -ab 49 57A 19 34,-2.2 36,-3.0 -2,-0.4 2,-0.5 -0.971 8.6-156.2-133.6 149.9 43.2 0.9 42.5 15 124 A W E - b 0 58A 16 42,-2.5 44,-3.0 -2,-0.3 2,-1.5 -0.973 12.0-148.1-128.3 118.2 45.6 3.1 44.4 16 125 A I E - b 0 59A 7 -2,-0.5 44,-0.1 34,-0.4 42,-0.1 -0.699 22.8-179.4 -82.4 93.1 45.2 4.1 48.0 17 126 A Q - 0 0 12 42,-2.0 2,-0.2 -2,-1.5 -1,-0.2 0.976 59.3 -9.2 -60.8 -57.8 46.9 7.5 47.7 18 127 A N - 0 0 6 41,-0.8 2,-0.3 -3,-0.2 -1,-0.1 -0.771 69.0-119.5-134.5-179.7 46.5 8.6 51.3 19 128 A Y - 0 0 40 -2,-0.2 2,-0.3 42,-0.1 6,-0.1 -0.818 18.6-111.8-125.8 164.1 44.8 7.6 54.6 20 129 A S > - 0 0 5 -2,-0.3 3,-0.6 1,-0.1 8,-0.1 -0.659 23.3-135.5 -87.3 148.7 42.4 8.8 57.2 21 130 A E T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.444 95.8 73.8 -84.0 -0.1 43.9 9.6 60.6 22 131 A D T 3 S+ 0 0 69 1,-0.1 -1,-0.2 2,-0.1 78,-0.0 0.728 98.0 38.1 -85.4 -23.8 41.0 7.7 62.3 23 132 A L S < S- 0 0 31 -3,-0.6 -1,-0.1 79,-0.1 -3,-0.1 -0.943 87.5 -97.4-133.2 152.5 42.0 4.1 61.4 24 133 A P > - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.296 36.9-119.5 -61.1 146.8 45.2 2.1 61.2 25 134 A R H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 115.3 55.9 -57.4 -37.1 46.5 1.7 57.6 26 135 A A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 108.3 47.6 -62.4 -39.5 46.1 -2.1 57.9 27 136 A V H > S+ 0 0 47 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.888 112.3 49.6 -68.8 -38.2 42.4 -1.6 58.8 28 137 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.948 110.3 49.0 -64.5 -50.9 41.9 0.9 55.9 29 138 A D H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 114.0 47.1 -56.7 -40.0 43.6 -1.4 53.3 30 139 A D H X S+ 0 0 83 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.852 109.4 53.2 -71.8 -36.7 41.5 -4.3 54.4 31 140 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.958 112.0 44.7 -63.6 -50.0 38.3 -2.3 54.4 32 141 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.940 113.3 50.9 -59.8 -46.7 38.8 -1.2 50.8 33 142 A A H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.901 111.8 47.2 -58.1 -43.1 39.8 -4.7 49.7 34 143 A R H X S+ 0 0 84 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.881 110.1 53.4 -67.4 -34.9 36.7 -6.1 51.3 35 144 A A H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.914 112.0 44.6 -64.7 -42.9 34.5 -3.4 49.7 36 145 A F H >X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 3,-1.0 0.896 105.1 62.7 -66.7 -40.2 35.9 -4.3 46.3 37 146 A A H 3X S+ 0 0 46 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.749 93.7 64.2 -56.9 -26.3 35.5 -8.0 47.0 38 147 A L H << S+ 0 0 36 -4,-1.0 4,-0.4 -3,-0.5 -1,-0.3 0.912 107.5 41.0 -64.3 -41.7 31.8 -7.5 47.3 39 148 A W H X< S+ 0 0 0 -3,-1.0 3,-0.9 -4,-0.7 6,-0.3 0.864 113.0 51.3 -75.5 -38.5 31.7 -6.4 43.6 40 149 A S H >< S+ 0 0 42 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.790 98.1 70.1 -70.9 -24.3 34.1 -9.1 42.3 41 150 A A T 3< S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 109.8 31.1 -64.2 -24.6 32.0 -11.8 44.0 42 151 A V T < S+ 0 0 30 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.151 121.3 43.5-120.9 20.1 29.1 -11.3 41.6 43 152 A T S < S- 0 0 21 -3,-1.1 113,-0.1 2,-0.2 109,-0.0 -0.933 85.3-105.5-151.9 172.5 30.9 -10.3 38.4 44 153 A P S S+ 0 0 71 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.314 82.4 120.0 -86.4 10.6 33.9 -11.2 36.3 45 154 A L - 0 0 3 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.458 44.8-166.8 -76.3 146.9 35.6 -8.0 37.6 46 155 A T E -a 11 0A 68 -36,-2.8 -34,-1.6 -2,-0.1 2,-0.4 -0.912 8.6-147.1-129.3 158.1 38.8 -8.1 39.6 47 156 A F E -a 12 0A 33 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.984 12.5-174.2-133.2 123.1 40.5 -5.5 41.7 48 157 A T E -a 13 0A 75 -36,-2.6 -34,-2.2 -2,-0.4 2,-0.4 -0.966 21.5-132.9-120.9 126.0 44.3 -5.1 42.0 49 158 A R E +a 14 0A 68 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.602 33.5 173.0 -77.5 129.3 46.0 -2.7 44.3 50 159 A V - 0 0 41 -36,-3.0 -34,-0.4 -2,-0.4 2,-0.3 -0.788 35.2-129.2-128.0 172.9 48.8 -0.7 42.7 51 160 A Y S S+ 0 0 161 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 -0.614 71.1 88.4-125.6 70.7 51.0 2.2 43.6 52 161 A S S > S- 0 0 31 -2,-0.3 3,-1.7 1,-0.0 -2,-0.1 -0.977 78.3-120.7-162.3 149.1 50.7 4.6 40.7 53 162 A R T 3 S+ 0 0 118 -2,-0.3 35,-0.1 1,-0.3 5,-0.1 0.567 107.3 76.5 -70.3 -5.0 48.6 7.5 39.6 54 163 A D T 3 + 0 0 129 -40,-0.1 -1,-0.3 3,-0.0 -41,-0.1 0.546 67.7 117.7 -81.2 -7.8 47.9 5.3 36.6 55 164 A A S < S- 0 0 9 -3,-1.7 3,-0.2 1,-0.1 -41,-0.2 -0.221 71.5-128.8 -57.3 150.0 45.5 3.2 38.6 56 165 A D S S+ 0 0 33 -43,-0.5 2,-0.7 1,-0.2 -42,-0.2 0.970 99.1 40.5 -65.6 -52.4 41.9 3.2 37.4 57 166 A I E S-b 14 0A 0 -44,-2.8 -42,-2.5 35,-0.1 2,-0.7 -0.852 72.7-167.1-104.1 107.7 40.5 4.1 40.8 58 167 A V E -b 15 0A 9 -2,-0.7 35,-1.7 -44,-0.2 2,-0.6 -0.852 11.8-152.3 -93.9 119.4 42.5 6.6 42.8 59 168 A I E +bc 16 93A 0 -44,-3.0 -42,-2.0 -2,-0.7 -41,-0.8 -0.832 19.7 176.0 -96.1 122.4 41.3 6.6 46.4 60 169 A Q E - c 0 94A 13 33,-2.6 35,-2.8 -2,-0.6 2,-0.6 -0.985 26.1-152.1-133.2 134.8 41.8 9.9 48.2 61 170 A F E + c 0 95A 1 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.912 35.6 168.8-100.8 120.7 40.9 11.1 51.7 62 171 A G E - c 0 96A 2 33,-2.9 35,-3.0 -2,-0.6 36,-0.5 -0.802 29.8-143.7-130.4 172.8 40.5 14.9 51.6 63 172 A V - 0 0 36 2,-0.3 10,-0.1 -2,-0.3 33,-0.0 -1.000 65.9 -35.0-137.3 135.5 39.3 17.9 53.5 64 173 A A S S+ 0 0 33 -2,-0.4 8,-2.7 7,-0.1 2,-0.4 -0.265 128.7 18.2 54.1-133.0 37.5 21.0 52.1 65 174 A E S S+ 0 0 128 6,-0.3 -2,-0.3 1,-0.1 4,-0.1 -0.549 70.8 164.0 -69.7 123.3 38.9 21.8 48.7 66 175 A H - 0 0 1 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.052 65.9 -65.1-134.0 28.5 40.7 18.7 47.4 67 176 A G S S+ 0 0 52 1,-0.4 2,-0.2 141,-0.0 140,-0.1 0.384 105.1 67.5 110.7 -6.9 41.2 19.1 43.7 68 177 A D S S- 0 0 32 21,-0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.669 91.9 -87.8-132.7-170.9 37.8 19.1 42.0 69 178 A G S S+ 0 0 65 -2,-0.2 -4,-0.0 1,-0.2 0, 0.0 0.292 110.0 66.0 -85.4 12.5 34.7 21.2 41.8 70 179 A Y - 0 0 106 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.576 69.1-170.5-134.6 74.1 33.0 19.7 44.8 71 180 A P - 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