==== 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 2OVX . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-9 (EC 3.4.24.35) (MMP-9) . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TOCHOWICZ,W.BODE,K.MASKOS,P.GOETTIG . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.0 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 20.1 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 2 0 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 87 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 33.3 27.9 12.5 39.5 2 111 A E - 0 0 106 81,-0.1 2,-0.2 82,-0.1 124,-0.1 -0.777 360.0-178.9-100.8 145.3 25.9 10.2 37.2 3 112 A G - 0 0 23 -2,-0.3 80,-0.0 121,-0.2 123,-0.0 -0.806 33.8-139.2-136.3 178.5 27.4 8.9 34.0 4 113 A D S S+ 0 0 171 -2,-0.2 2,-0.3 81,-0.1 -1,-0.0 0.294 71.3 93.1-122.6 6.9 26.6 6.8 30.9 5 114 A L - 0 0 111 80,-0.3 2,-0.3 3,-0.0 -2,-0.1 -0.778 50.4-163.5-106.4 149.7 29.9 4.9 30.4 6 115 A K - 0 0 94 -2,-0.3 2,-0.2 78,-0.1 118,-0.1 -0.804 39.3 -87.0-120.2 163.3 30.9 1.5 31.8 7 116 A W - 0 0 15 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.528 27.7-148.2 -71.7 136.1 34.5 0.1 32.0 8 117 A H S S+ 0 0 177 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.377 81.7 50.6 -86.5 6.8 35.5 -1.6 28.7 9 118 A H - 0 0 59 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.951 66.6-149.9-138.1 157.0 37.7 -4.1 30.6 10 119 A H S S+ 0 0 65 -2,-0.3 36,-2.5 1,-0.1 2,-1.5 0.562 77.9 85.6-106.0 -10.8 37.0 -6.3 33.6 11 120 A N E -a 46 0A 104 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.641 69.4-172.7 -92.1 80.0 40.4 -6.5 35.3 12 121 A I E -a 47 0A 0 34,-1.8 36,-2.5 -2,-1.5 2,-0.3 -0.478 8.9-155.8 -77.6 142.7 40.0 -3.2 37.3 13 122 A T E -a 48 0A 30 34,-0.2 44,-2.6 -2,-0.2 43,-0.7 -0.888 7.4-168.8-119.2 149.2 42.9 -1.7 39.2 14 123 A Y E -ab 49 57A 17 34,-2.0 36,-3.1 -2,-0.3 2,-0.4 -0.991 8.9-156.8-139.1 149.4 42.9 0.6 42.2 15 124 A W E - b 0 58A 17 42,-2.1 44,-3.4 -2,-0.3 2,-1.3 -0.987 14.1-144.1-128.0 122.3 45.4 2.7 44.1 16 125 A I E - b 0 59A 8 -2,-0.4 44,-0.2 34,-0.4 42,-0.1 -0.737 22.5-177.5 -85.2 96.1 45.0 3.8 47.7 17 126 A Q - 0 0 12 42,-2.4 2,-0.3 -2,-1.3 -1,-0.2 0.939 59.2 -15.9 -62.2 -52.4 46.6 7.3 47.4 18 127 A N - 0 0 8 41,-0.8 2,-0.3 -3,-0.2 -1,-0.1 -0.863 66.9-118.0-145.2-178.9 46.3 8.3 51.0 19 128 A Y - 0 0 33 -2,-0.3 2,-0.3 41,-0.1 42,-0.1 -0.798 16.7-112.7-128.3 167.2 44.6 7.4 54.3 20 129 A S > - 0 0 4 -2,-0.3 3,-0.6 3,-0.1 8,-0.1 -0.671 23.3-133.5 -92.3 150.4 42.3 8.6 57.0 21 130 A E T 3 S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.473 95.6 75.6 -82.6 -1.1 43.7 9.2 60.5 22 131 A D T 3 S+ 0 0 68 1,-0.1 -1,-0.2 2,-0.1 78,-0.0 0.737 97.7 34.9 -83.0 -23.2 40.7 7.4 62.0 23 132 A L S < S- 0 0 29 -3,-0.6 -3,-0.1 79,-0.1 -1,-0.1 -0.959 87.4 -98.3-135.4 151.1 41.8 3.8 61.2 24 133 A P > - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.275 38.3-116.8 -61.4 151.6 45.1 1.8 60.9 25 134 A R H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.873 115.7 55.6 -59.0 -36.7 46.3 1.5 57.4 26 135 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 107.9 47.9 -64.8 -37.2 45.9 -2.3 57.6 27 136 A V H > S+ 0 0 47 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.901 113.4 48.2 -70.1 -39.2 42.2 -1.9 58.5 28 137 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.955 111.0 49.6 -63.3 -52.5 41.7 0.6 55.7 29 138 A D H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.906 114.4 46.3 -52.3 -46.1 43.4 -1.6 53.1 30 139 A D H X S+ 0 0 81 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.859 108.9 53.4 -67.4 -39.4 41.2 -4.5 54.2 31 140 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 112.9 44.4 -63.0 -44.2 38.0 -2.6 54.3 32 141 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.915 113.0 51.1 -66.0 -42.9 38.5 -1.5 50.7 33 142 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.925 112.5 46.5 -60.7 -43.5 39.6 -5.0 49.6 34 143 A R H X S+ 0 0 84 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.837 109.6 54.5 -68.3 -33.2 36.5 -6.4 51.2 35 144 A A H >X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 3,-0.6 0.929 110.4 45.1 -66.5 -45.6 34.3 -3.8 49.6 36 145 A F H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-1.0 0.908 105.1 63.5 -63.7 -40.2 35.6 -4.6 46.1 37 146 A A H 3X S+ 0 0 47 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.797 93.3 63.5 -53.9 -32.2 35.2 -8.3 46.8 38 147 A L H << S+ 0 0 32 -4,-1.0 4,-0.4 -3,-0.6 -1,-0.3 0.912 109.5 38.5 -59.2 -43.5 31.4 -7.8 47.2 39 148 A W H X< S+ 0 0 0 -3,-1.0 3,-0.8 -4,-0.8 6,-0.3 0.851 114.7 51.3 -77.6 -36.9 31.2 -6.8 43.5 40 149 A S H 3< S+ 0 0 42 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.690 99.8 68.4 -73.6 -17.8 33.7 -9.3 42.1 41 150 A A T 3< S+ 0 0 78 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.777 109.8 32.1 -71.8 -25.6 31.8 -12.0 44.0 42 151 A V S < S+ 0 0 30 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.206 121.7 42.1-117.7 16.1 28.8 -11.6 41.7 43 152 A T S S- 0 0 18 -3,-0.5 113,-0.1 2,-0.2 112,-0.0 -0.920 86.4-104.3-150.0 171.5 30.4 -10.6 38.4 44 153 A P S S+ 0 0 80 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.265 81.8 120.1 -86.1 14.3 33.5 -11.5 36.2 45 154 A L - 0 0 3 -6,-0.3 2,-0.3 -34,-0.1 -2,-0.2 -0.485 45.8-164.0 -77.8 148.4 35.2 -8.3 37.5 46 155 A T E -a 11 0A 68 -36,-2.5 -34,-1.8 -2,-0.2 2,-0.4 -0.934 7.0-149.8-129.0 153.9 38.4 -8.5 39.4 47 156 A F E -a 12 0A 32 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.976 12.8-174.8-131.1 118.0 40.1 -5.8 41.5 48 157 A T E -a 13 0A 75 -36,-2.5 -34,-2.0 -2,-0.4 2,-0.3 -0.951 22.2-131.3-116.7 126.4 43.8 -5.6 41.8 49 158 A R E +a 14 0A 64 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.580 33.0 176.1 -75.8 132.1 45.6 -3.1 44.1 50 159 A V - 0 0 39 -36,-3.1 -34,-0.4 -2,-0.3 2,-0.2 -0.826 34.0-132.6-129.5 170.7 48.4 -1.2 42.4 51 160 A Y S S+ 0 0 156 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 -0.591 71.3 91.6-125.4 67.5 50.7 1.6 43.4 52 161 A S S > S- 0 0 38 -2,-0.2 3,-1.6 -38,-0.0 -2,-0.1 -0.979 77.9-122.9-158.3 146.7 50.5 3.9 40.4 53 162 A R T 3 S+ 0 0 72 -2,-0.3 5,-0.1 1,-0.3 -38,-0.1 0.492 105.3 77.3 -70.6 -0.5 48.4 6.9 39.4 54 163 A D T 3 + 0 0 132 -40,-0.1 -1,-0.3 3,-0.1 -41,-0.1 0.390 66.9 119.5 -88.9 1.7 47.5 4.8 36.3 55 164 A A S < S- 0 0 11 -3,-1.6 3,-0.2 1,-0.1 -41,-0.2 -0.281 70.6-127.9 -64.0 155.2 45.0 2.7 38.3 56 165 A D S S+ 0 0 32 -43,-0.7 2,-0.7 1,-0.3 -42,-0.2 0.932 100.1 38.8 -69.4 -46.1 41.4 2.9 37.1 57 166 A I E S-b 14 0A 0 -44,-2.6 -42,-2.1 35,-0.1 2,-0.6 -0.893 73.0-168.1-112.3 104.3 40.1 3.7 40.6 58 167 A V E -b 15 0A 14 -2,-0.7 35,-2.0 -44,-0.2 2,-0.5 -0.813 12.0-153.6 -92.1 125.0 42.3 6.2 42.6 59 168 A I E +bc 16 93A 0 -44,-3.4 -42,-2.4 -2,-0.6 -41,-0.8 -0.862 21.4 164.0-103.7 130.1 41.2 6.3 46.2 60 169 A Q E - c 0 94A 13 33,-2.1 35,-2.7 -2,-0.5 2,-0.5 -0.995 30.6-140.5-145.4 150.5 41.8 9.4 48.3 61 170 A F E + c 0 95A 10 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.924 35.7 163.2-107.5 132.7 40.7 10.9 51.6 62 171 A G E - c 0 96A 11 33,-2.8 35,-2.8 -2,-0.5 36,-0.4 -0.905 29.4-135.5-143.8 172.3 40.2 14.7 51.6 63 172 A V - 0 0 65 -2,-0.3 33,-0.0 2,-0.2 10,-0.0 -0.991 64.1 -36.6-133.6 141.7 38.6 17.6 53.5 64 173 A A S S+ 0 0 40 -2,-0.4 8,-2.2 7,-0.1 2,-0.3 -0.150 126.0 14.7 46.5-134.0 36.6 20.5 52.1 65 174 A E S S+ 0 0 143 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.537 70.3 161.9 -70.7 126.2 38.1 21.7 48.8 66 175 A H - 0 0 2 2,-0.5 2,-0.3 -2,-0.3 -1,-0.1 -0.028 64.6 -67.3-139.4 36.2 40.4 19.0 47.4 67 176 A G S S+ 0 0 52 1,-0.3 144,-0.1 143,-0.0 2,-0.1 -0.473 108.5 74.7 118.3 -66.3 41.0 19.4 43.7 68 177 A D S S- 0 0 24 -2,-0.3 -2,-0.5 2,-0.1 -1,-0.3 -0.335 95.4-100.3 -77.9 167.0 37.8 18.8 41.8 69 178 A G S S+ 0 0 69 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.1 0.078 103.7 83.2 -79.7 29.3 35.0 21.4 41.9 70 179 A Y - 0 0 131 -2,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.600 63.6-171.0-133.1 74.5 33.1 19.5 44.6 71 180 A P - 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