==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-OCT-12 4HMA . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,C.ANTONI,L.VERA,E.NUTI,L.CARAFA,E.CASSAR-LAJEUNESS . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.6 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 . 1 0.3 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 21.9 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 1 1 0 0 0 1 1 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 1 110 A F 0 0 177 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.4 -5.9 20.4 -3.2 2 111 A E - 0 0 189 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.750 360.0 -23.1-127.8 78.6 -6.0 17.2 -5.3 3 112 A G - 0 0 67 1,-0.2 3,-0.0 -2,-0.1 121,-0.0 -0.748 65.2-113.5 167.0-125.7 -7.1 15.2 -2.3 4 113 A D - 0 0 71 -2,-0.2 2,-0.4 120,-0.1 -1,-0.2 0.176 43.2-168.1 -92.7 118.1 -6.7 15.9 0.6 5 114 A L + 0 0 87 -3,-0.3 2,-0.3 119,-0.2 81,-0.1 -0.543 22.5 150.9 -71.5 128.1 -4.4 13.0 1.2 6 115 A K - 0 0 64 -2,-0.4 2,-0.2 78,-0.1 118,-0.1 -0.959 50.5 -90.0-145.9 162.0 -3.7 12.5 4.9 7 116 A W - 0 0 16 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.529 27.1-151.4 -72.1 145.9 -2.9 9.7 7.3 8 117 A H S S+ 0 0 162 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.063 76.0 51.6-111.8 23.3 -6.0 8.0 8.7 9 118 A H S S- 0 0 76 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.959 73.4-135.2-149.7 160.7 -4.4 7.0 12.0 10 119 A H S S+ 0 0 106 -2,-0.3 36,-2.4 1,-0.2 2,-1.3 0.768 85.1 72.1 -90.7 -29.2 -2.4 8.9 14.6 11 120 A N E -a 46 0A 106 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.713 67.8-170.9 -97.6 94.3 0.6 6.7 15.4 12 121 A I E -a 47 0A 0 34,-2.7 36,-2.3 -2,-1.3 2,-0.3 -0.614 5.2-154.6 -84.6 136.1 2.7 6.9 12.4 13 122 A T E -a 48 0A 34 -2,-0.3 44,-2.6 34,-0.2 43,-0.5 -0.854 7.5-165.3-111.2 151.8 5.7 4.6 12.2 14 123 A Y E -ab 49 57A 17 34,-2.4 36,-3.2 -2,-0.3 2,-0.4 -0.991 8.6-160.3-135.8 149.0 8.9 5.0 10.3 15 124 A W E - b 0 58A 50 42,-1.9 44,-3.3 -2,-0.4 2,-1.2 -0.991 14.4-146.2-123.8 123.1 11.8 2.8 9.2 16 125 A I E - b 0 59A 6 -2,-0.4 44,-0.2 34,-0.4 42,-0.1 -0.755 21.6-174.7 -84.3 96.2 15.3 4.0 8.3 17 126 A Q - 0 0 88 42,-2.4 2,-0.3 -2,-1.2 -1,-0.2 0.914 59.0 -5.5 -63.2 -44.2 16.0 1.4 5.7 18 127 A N - 0 0 62 41,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.888 68.0-121.1-148.8 169.0 19.6 2.4 4.9 19 128 A Y - 0 0 42 -2,-0.3 2,-0.3 41,-0.1 6,-0.1 -0.899 12.4-127.2-121.5 149.3 22.2 5.1 5.7 20 129 A S > - 0 0 3 -2,-0.3 3,-0.6 1,-0.1 8,-0.1 -0.704 19.6-135.9 -79.1 147.3 24.3 7.7 3.9 21 130 A E T 3 S+ 0 0 168 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.609 89.9 86.5 -75.1 -16.0 28.1 7.6 4.6 22 131 A D T 3 S+ 0 0 58 75,-0.1 -1,-0.2 2,-0.0 78,-0.0 0.812 97.3 21.3 -57.1 -34.6 28.1 11.4 5.0 23 132 A L S < S- 0 0 30 -3,-0.6 79,-0.0 79,-0.1 78,-0.0 -0.922 94.8 -86.1-131.6 160.5 27.2 11.4 8.7 24 133 A P > - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.360 39.9-117.3 -60.3 147.7 27.4 8.9 11.6 25 134 A R H > S+ 0 0 151 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 116.1 52.1 -51.3 -48.3 24.3 6.6 11.8 26 135 A A H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.827 108.6 49.7 -58.1 -39.3 23.5 8.1 15.3 27 136 A V H > S+ 0 0 49 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.906 112.3 48.3 -67.8 -42.9 23.6 11.7 13.9 28 137 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.930 109.9 50.7 -61.3 -51.0 21.3 10.6 11.0 29 138 A D H X S+ 0 0 33 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.906 113.1 47.2 -54.9 -44.5 18.9 8.9 13.4 30 139 A D H X S+ 0 0 82 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.885 108.5 53.9 -63.8 -41.3 18.8 12.1 15.5 31 140 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 113.0 44.6 -61.7 -45.0 18.3 14.5 12.5 32 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.898 112.9 51.0 -66.6 -40.1 15.3 12.4 11.4 33 142 A A H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.876 110.7 48.2 -67.1 -39.0 14.0 12.2 15.0 34 143 A R H X S+ 0 0 88 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.914 108.6 54.7 -65.0 -40.0 14.3 16.0 15.4 35 144 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.882 110.4 44.7 -60.5 -41.4 12.5 16.6 12.1 36 145 A F H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.884 105.8 63.1 -68.0 -38.2 9.5 14.4 13.2 37 146 A A H X S+ 0 0 57 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.838 97.3 58.1 -54.8 -35.1 9.5 16.2 16.6 38 147 A L H X S+ 0 0 37 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.936 114.6 35.3 -64.6 -43.5 8.8 19.5 14.7 39 148 A W H X S+ 0 0 0 -4,-1.0 4,-0.8 -3,-0.3 3,-0.5 0.792 110.9 62.5 -76.7 -35.3 5.6 18.0 13.3 40 149 A S H >< S+ 0 0 46 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.910 101.3 53.9 -51.7 -42.6 4.8 15.9 16.3 41 150 A A H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.6 40.9 -66.9 -30.7 4.4 19.1 18.4 42 151 A V H 3< S+ 0 0 48 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.457 114.7 47.9-104.8 1.5 1.9 20.8 16.1 43 152 A T S << S- 0 0 19 -4,-0.8 117,-0.1 -3,-0.8 113,-0.1 -0.847 84.2-109.8-130.9 166.2 -0.3 17.8 15.2 44 153 A P S S+ 0 0 62 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.400 85.8 110.1 -75.3 9.5 -2.2 14.9 16.9 45 154 A L - 0 0 3 -6,-0.3 2,-0.3 -5,-0.1 -2,-0.2 -0.534 51.7-161.2 -86.7 154.1 0.4 12.6 15.3 46 155 A T E -a 11 0A 56 -36,-2.4 -34,-2.7 -2,-0.2 2,-0.4 -0.904 9.7-147.0-122.0 151.4 3.1 10.6 17.0 47 156 A F E -a 12 0A 31 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.997 13.8-172.8-122.6 122.9 6.1 9.1 15.1 48 157 A T E -a 13 0A 76 -36,-2.3 -34,-2.4 -2,-0.4 2,-0.4 -0.981 22.6-132.3-123.3 125.0 7.7 5.8 16.3 49 158 A R E +a 14 0A 65 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.636 36.4 174.9 -75.4 126.7 10.9 4.5 14.8 50 159 A V - 0 0 37 -36,-3.2 2,-0.5 -2,-0.4 -34,-0.4 -0.812 36.3-130.7-129.3 169.2 10.3 0.8 14.0 51 160 A Y + 0 0 165 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 -0.710 67.8 107.7-125.4 75.8 12.4 -1.8 12.3 52 161 A S S > S- 0 0 48 -2,-0.5 3,-1.9 1,-0.0 -2,-0.1 -0.958 70.2-134.9-156.4 131.7 9.8 -3.2 9.9 53 162 A R T 3 S+ 0 0 212 -2,-0.3 -38,-0.1 1,-0.3 5,-0.1 0.668 107.0 67.6 -51.5 -20.3 9.1 -3.1 6.1 54 163 A D T 3 S+ 0 0 144 -40,-0.1 -1,-0.3 3,-0.0 -41,-0.1 0.316 71.4 125.7 -92.8 8.0 5.5 -2.5 7.2 55 164 A A < - 0 0 9 -3,-1.9 3,-0.2 1,-0.1 -41,-0.2 -0.297 66.2-127.1 -61.3 147.3 6.3 1.1 8.6 56 165 A D S S+ 0 0 31 -43,-0.5 2,-0.6 1,-0.2 -42,-0.2 0.952 99.6 36.7 -63.3 -49.1 4.1 4.0 7.2 57 166 A I E S-b 14 0A 0 -44,-2.6 -42,-1.9 35,-0.1 2,-0.5 -0.911 73.6-169.5-112.1 111.3 7.1 6.1 6.3 58 167 A V E -b 15 0A 11 -2,-0.6 35,-2.1 -44,-0.2 2,-0.4 -0.869 10.9-154.5 -99.4 131.7 10.2 4.2 4.9 59 168 A I E +bc 16 93A 0 -44,-3.3 -42,-2.4 -2,-0.5 -41,-0.7 -0.848 19.9 164.6-110.8 131.9 13.3 6.3 4.6 60 169 A Q E - c 0 94A 36 33,-1.9 35,-2.5 -2,-0.4 2,-0.4 -0.992 32.4-139.1-143.1 154.4 16.1 5.6 2.2 61 170 A F E + c 0 95A 5 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.870 35.8 167.0-102.1 140.2 19.1 7.2 0.7 62 171 A G E - c 0 96A 11 33,-2.3 35,-1.4 -2,-0.4 2,-0.4 -0.979 28.5-140.7-159.6 144.0 19.5 6.3 -3.0 63 172 A V - 0 0 72 -2,-0.3 2,-0.1 2,-0.2 33,-0.0 -0.920 68.8 -34.9-113.5 139.3 21.5 7.6 -5.9 64 173 A A S S+ 0 0 27 -2,-0.4 8,-3.0 7,-0.1 2,-0.6 -0.290 128.5 19.2 49.5-119.3 20.0 7.8 -9.4 65 174 A E + 0 0 162 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.747 59.5 164.5 -89.6 120.6 17.5 5.0 -9.9 66 175 A H - 0 0 31 -2,-0.6 -1,-0.1 -4,-0.1 -2,-0.1 -0.090 61.7 -95.8-126.1 30.8 16.4 3.4 -6.7 67 176 A G S S+ 0 0 80 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.778 99.8 97.8 61.4 40.1 13.4 1.5 -8.1 68 177 A D S S- 0 0 31 21,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.284 98.2-105.6-124.6 -1.7 10.4 3.7 -7.5 69 178 A G S S+ 0 0 62 1,-0.0 -4,-0.1 0, 0.0 -2,-0.0 0.491 95.2 97.3 95.9 4.9 10.4 5.0 -11.0 70 179 A Y - 0 0 142 -6,-0.1 -4,-0.1 0, 0.0 -1,-0.0 -0.737 62.6-153.2-135.6 78.6 11.7 8.5 -10.1 71 180 A P - 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