==== 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 2OW2 . 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 . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 20.3 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 1 1 0 0 1 1 0 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 1 113 A D 0 0 203 0, 0.0 2,-0.3 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 25.5 27.1 7.4 30.9 2 114 A L - 0 0 116 80,-0.3 2,-0.3 119,-0.0 81,-0.0 -0.769 360.0-156.7-120.7 167.1 30.2 5.2 30.4 3 115 A K - 0 0 95 -2,-0.3 2,-0.3 78,-0.1 118,-0.1 -0.883 36.5 -85.7-135.4 165.7 31.4 1.8 31.8 4 116 A W - 0 0 21 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.581 26.7-153.9 -75.8 135.6 34.8 0.1 32.1 5 117 A H S S+ 0 0 177 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.570 79.8 55.7 -84.6 -10.0 35.8 -1.7 28.9 6 118 A H - 0 0 51 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.852 67.8-149.4-120.1 157.0 38.0 -4.0 31.0 7 119 A H S S+ 0 0 69 -2,-0.3 36,-2.6 1,-0.2 2,-0.9 0.376 81.8 84.9-104.2 0.6 37.1 -6.3 33.9 8 120 A N E -a 43 0A 102 34,-0.2 -1,-0.2 36,-0.1 36,-0.1 -0.586 65.3-179.9-103.0 68.6 40.5 -6.0 35.5 9 121 A I E -a 44 0A 0 34,-1.3 36,-2.0 -2,-0.9 2,-0.3 -0.373 10.3-156.7 -70.9 147.8 40.1 -2.8 37.4 10 122 A T E -a 45 0A 32 34,-0.2 44,-2.7 41,-0.1 43,-0.7 -0.925 5.9-165.4-124.1 150.0 42.9 -1.5 39.5 11 123 A Y E -ab 46 54A 20 34,-2.0 36,-3.1 -2,-0.3 2,-0.4 -0.978 6.4-157.8-136.9 150.7 42.8 0.9 42.5 12 124 A W E - b 0 55A 16 42,-2.3 44,-2.7 -2,-0.3 2,-1.0 -0.986 14.4-141.6-132.9 121.8 45.4 2.9 44.3 13 125 A I E - b 0 56A 7 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.728 21.4-176.1 -83.0 102.4 45.0 4.1 47.9 14 126 A Q - 0 0 11 42,-2.5 2,-0.3 -2,-1.0 43,-0.2 0.975 59.4 -15.8 -65.2 -62.0 46.6 7.6 47.8 15 127 A N - 0 0 3 41,-0.8 2,-0.2 156,-0.1 -1,-0.1 -0.820 69.3-118.1-136.9 177.7 46.4 8.7 51.4 16 128 A Y - 0 0 39 -2,-0.3 2,-0.3 41,-0.1 6,-0.1 -0.750 18.0-108.4-122.8 170.3 44.7 7.6 54.6 17 129 A S > - 0 0 6 -2,-0.2 3,-0.7 1,-0.1 8,-0.1 -0.691 20.8-134.5 -92.4 145.8 42.2 8.8 57.2 18 130 A E T 3 S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.514 97.0 73.0 -77.1 -3.4 43.4 9.6 60.7 19 131 A D T 3 S+ 0 0 61 77,-0.1 -1,-0.2 1,-0.1 78,-0.0 0.771 99.9 33.7 -82.9 -27.7 40.5 7.7 62.2 20 132 A L S < S- 0 0 29 -3,-0.7 -3,-0.1 79,-0.1 -1,-0.1 -0.928 85.8 -98.6-133.1 155.9 41.7 4.2 61.4 21 133 A P > - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.333 40.2-114.6 -64.1 150.1 45.0 2.2 61.2 22 134 A R H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.914 116.2 48.6 -54.8 -47.7 46.3 1.7 57.6 23 135 A A H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.781 109.1 54.6 -64.6 -27.2 45.8 -2.0 57.6 24 136 A V H > S+ 0 0 48 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.932 111.4 44.8 -69.6 -45.2 42.3 -1.6 58.9 25 137 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 110.2 53.0 -63.7 -48.1 41.5 0.8 56.0 26 138 A D H X S+ 0 0 35 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.932 111.5 46.8 -54.2 -49.1 43.2 -1.5 53.4 27 139 A D H X S+ 0 0 84 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.913 109.0 55.3 -58.9 -46.1 41.0 -4.4 54.5 28 140 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.949 112.4 42.2 -51.9 -54.8 37.9 -2.2 54.5 29 141 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.923 113.0 52.7 -59.8 -47.4 38.5 -1.3 50.9 30 142 A A H X S+ 0 0 38 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.929 112.3 45.3 -55.5 -47.0 39.5 -4.8 49.9 31 143 A R H X S+ 0 0 82 -4,-3.3 4,-1.1 2,-0.2 -1,-0.2 0.867 110.8 54.8 -65.5 -35.9 36.3 -6.2 51.4 32 144 A A H >X S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.3 4,-0.7 0.975 113.3 40.6 -59.7 -56.3 34.3 -3.3 49.8 33 145 A F H >X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 3,-1.3 0.931 106.0 64.9 -56.3 -49.9 35.6 -4.2 46.3 34 146 A A H 3X S+ 0 0 48 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.773 92.9 65.7 -44.8 -32.2 35.2 -7.9 47.0 35 147 A L H << S+ 0 0 28 -4,-1.1 4,-0.5 -3,-1.0 -1,-0.3 0.929 108.3 35.5 -59.3 -48.4 31.5 -7.4 47.2 36 148 A W H X< S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.7 4,-0.5 0.934 113.8 55.1 -74.0 -46.4 31.2 -6.4 43.5 37 149 A S H >< S+ 0 0 40 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.762 100.7 66.1 -57.7 -22.9 33.8 -8.8 42.2 38 150 A A T 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.787 109.6 32.4 -71.0 -29.2 31.8 -11.5 43.9 39 151 A V T < S+ 0 0 31 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.214 122.5 46.4-112.4 12.9 28.7 -11.1 41.7 40 152 A T S < S- 0 0 17 -3,-0.5 113,-0.1 -4,-0.5 112,-0.0 -0.960 86.6-108.3-148.3 164.0 30.5 -10.1 38.5 41 153 A P S S+ 0 0 77 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.337 82.6 119.8 -75.3 8.6 33.5 -11.2 36.4 42 154 A L - 0 0 4 -6,-0.2 2,-0.3 -34,-0.1 -2,-0.2 -0.403 45.9-165.0 -75.9 151.6 35.2 -8.0 37.6 43 155 A T E -a 8 0A 68 -36,-2.6 -34,-1.3 -2,-0.1 2,-0.4 -0.950 7.7-148.5-134.2 154.3 38.4 -8.2 39.6 44 156 A F E -a 9 0A 31 -2,-0.3 2,-0.5 -36,-0.1 -34,-0.2 -0.983 12.4-174.7-131.3 122.5 40.1 -5.5 41.7 45 157 A T E -a 10 0A 79 -36,-2.0 -34,-2.0 -2,-0.4 2,-0.4 -0.969 23.0-130.7-121.9 126.3 43.9 -5.2 42.1 46 158 A R E +a 11 0A 63 -2,-0.5 -34,-0.2 -36,-0.2 2,-0.2 -0.589 34.7 174.9 -75.1 123.0 45.6 -2.8 44.4 47 159 A V - 0 0 34 -36,-3.1 -34,-0.5 -2,-0.4 -1,-0.0 -0.605 33.1-133.0-118.6-178.8 48.4 -0.9 42.6 48 160 A Y S S+ 0 0 162 -2,-0.2 2,-0.3 -36,-0.1 -36,-0.1 -0.157 70.9 82.1-132.1 41.2 50.8 1.9 43.5 49 161 A S S > S- 0 0 42 -38,-0.1 3,-2.0 1,-0.0 -2,-0.1 -0.965 82.6-113.7-143.0 157.8 50.6 4.4 40.6 50 162 A R T 3 S+ 0 0 79 -2,-0.3 -38,-0.1 1,-0.3 -1,-0.0 0.696 107.6 81.1 -63.0 -17.3 48.4 7.2 39.4 51 163 A D T 3 + 0 0 141 -40,-0.1 -1,-0.3 3,-0.0 -41,-0.1 0.626 65.8 121.3 -64.8 -13.4 47.7 4.8 36.5 52 164 A A < - 0 0 9 -3,-2.0 -41,-0.2 1,-0.1 3,-0.2 -0.098 69.0-131.4 -50.8 149.3 45.2 3.0 38.7 53 165 A D S S+ 0 0 29 -43,-0.7 2,-0.5 1,-0.3 -42,-0.2 0.959 97.3 30.4 -67.4 -51.7 41.6 2.9 37.5 54 166 A I E S-b 11 0A 0 -44,-2.7 -42,-2.3 35,-0.1 2,-0.5 -0.947 73.9-162.7-115.7 121.7 40.2 4.1 40.8 55 167 A V E -b 12 0A 7 -2,-0.5 35,-1.4 -44,-0.2 2,-0.6 -0.914 10.2-148.5-106.1 124.7 42.2 6.3 43.0 56 168 A I E +bc 13 90A 0 -44,-2.7 -42,-2.5 -2,-0.5 -41,-0.8 -0.824 24.4 167.6 -96.9 121.5 41.2 6.5 46.6 57 169 A Q E - c 0 91A 13 33,-2.1 35,-2.4 -2,-0.6 2,-0.4 -0.997 26.1-148.6-137.7 137.6 41.7 9.8 48.4 58 170 A F E + c 0 92A 0 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.818 32.7 166.9 -98.8 142.7 40.6 11.3 51.7 59 171 A G E - c 0 93A 3 33,-2.8 35,-1.6 -2,-0.4 36,-0.4 -0.940 31.2-134.1-150.6 173.4 40.2 15.0 51.8 60 172 A V - 0 0 42 2,-0.4 10,-0.1 -2,-0.3 33,-0.0 -0.997 66.8 -39.7-134.4 136.8 38.9 18.1 53.6 61 173 A A S S+ 0 0 29 -2,-0.4 8,-2.0 8,-0.1 2,-0.2 -0.189 126.9 20.6 48.3-131.0 36.9 21.0 52.1 62 174 A E + 0 0 129 6,-0.3 -2,-0.4 1,-0.1 4,-0.1 -0.461 69.4 164.0 -64.7 133.4 38.4 21.9 48.7 63 175 A H - 0 0 3 2,-0.4 2,-0.5 -2,-0.2 -1,-0.1 -0.016 65.9 -70.9-146.0 36.1 40.4 18.9 47.4 64 176 A G S S+ 0 0 51 1,-0.4 140,-0.1 141,-0.0 -2,-0.1 -0.544 110.0 74.8 111.6 -67.2 41.0 19.4 43.8 65 177 A D S S- 0 0 29 -2,-0.5 -1,-0.4 2,-0.1 -2,-0.4 0.082 92.6-104.0 -68.2-172.9 37.6 19.0 42.1 66 178 A G S S+ 0 0 67 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.0 0.304 104.2 79.5 -98.2 8.5 34.9 21.6 42.3 67 179 A Y - 0 0 152 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.1 -0.650 66.7-174.3-116.7 74.1 32.9 19.6 44.9 68 180 A P - 0 0 63 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.285 30.2 -99.9 -65.8 152.0 34.6 20.4 48.2 69 181 A F - 0 0 12 -8,-2.0 -8,-0.1 1,-0.1 3,-0.1 -0.439 17.8-132.4 -78.1 149.0 33.5 18.6 51.4 70 182 A D - 0 0 85 1,-0.3 -1,-0.1 5,-0.2 -10,-0.0 -0.011 40.3-122.6 -89.3 29.9 31.1 20.1 54.0 71 183 A G S S+ 0 0 16 3,-0.0 -1,-0.3 25,-0.0 24,-0.1 -0.197 77.6 19.9 61.8-160.1 33.1 19.2 57.1 72 184 A K S S- 0 0 112 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.001 123.6 -17.3 -44.5 137.7 31.3 17.1 59.8 73 185 A D S S+ 0 0 79 1,-0.1 2,-0.2 22,-0.1 -3,-0.1 0.059 103.5 75.2 54.2-170.7 28.3 15.2 58.6 74 186 A G S S+ 0 0 50 -5,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.493 96.4 29.5 73.1-143.3 26.6 16.1 55.3 75 187 A L - 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0 0 20 -3,-2.6 -9,-2.3 -35,-0.2 2,-0.5 -0.364 48.7-142.5 -68.6 142.4 38.3 8.0 41.5 90 202 A A E -cD 56 79A 0 -35,-1.4 -33,-2.1 -11,-0.2 2,-0.4 -0.914 12.5-162.0-110.4 126.6 36.6 7.8 45.0 91 203 A H E -cD 57 78A 10 -13,-3.2 -13,-2.2 -2,-0.5 2,-0.4 -0.869 0.9-162.0-110.4 138.8 36.9 10.7 47.5 92 204 A F E -cD 58 77A 0 -35,-2.4 -33,-2.8 -2,-0.4 2,-1.4 -0.969 24.2-123.6-122.5 131.9 36.2 10.4 51.2 93 205 A D E > -c 59 0A 0 -17,-2.6 3,-2.7 -2,-0.4 -33,-0.2 -0.570 20.4-167.7 -74.7 93.6 35.5 13.4 53.6 94 206 A D T 3 S+ 0 0 15 -35,-1.6 -76,-0.2 -2,-1.4 -1,-0.2 0.324 80.7 78.2 -65.5 12.3 38.2 12.9 56.2 95 207 A D T 3 S+ 0 0 73 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.505 83.3 80.1 -95.3 -6.9 36.3 15.4 58.2 96 208 A E S < S- 0 0 3 -3,-2.7 2,-0.9 -20,-0.2 -77,-0.1 -0.483 94.5-105.6 -91.4 166.2 33.8 12.7 59.1 97 209 A L - 0 0 57 -2,-0.2 9,-2.2 -78,-0.0 2,-0.4 -0.838 39.5-159.1 -94.5 107.8 34.3 10.1 61.8 98 210 A W E +e 106 0B 2 -2,-0.9 2,-0.2 7,-0.2 9,-0.2 -0.742 29.6 128.5 -92.9 135.6 35.1 6.9 60.0 99 211 A S E -e 107 0B 37 7,-2.4 9,-2.5 -2,-0.4 10,-0.5 -0.780 43.2-105.7-155.2-160.1 34.7 3.5 61.7 100 212 A L - 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