==== 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 11-SEP-12 4H1Q . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,L.VERA,E.CASSAR-LAJEUNESSE,E.NUTI,M.P.CATALANI,V.D . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.9 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.9 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 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 0 236 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.0 20.6 7.8 46.4 2 111 A E + 0 0 148 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.521 360.0 178.1 -76.6 140.1 18.7 7.1 43.2 3 112 A G + 0 0 66 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.903 25.6 120.8-107.7 -79.2 20.7 7.7 40.0 4 113 A D - 0 0 92 1,-0.2 2,-0.2 120,-0.0 -2,-0.0 0.575 67.7-107.9 -8.9 124.0 19.7 7.1 36.4 5 114 A L + 0 0 107 119,-0.1 2,-0.3 81,-0.0 -1,-0.2 -0.457 65.5 144.8 -54.7 119.8 19.8 10.1 34.1 6 115 A K - 0 0 69 -2,-0.2 2,-0.2 -3,-0.2 118,-0.1 -0.979 55.8 -88.9-155.3 162.4 16.1 10.8 33.7 7 116 A W - 0 0 18 116,-0.4 5,-0.0 -2,-0.3 116,-0.0 -0.569 26.9-155.3 -72.3 144.4 13.5 13.5 33.3 8 117 A H S S+ 0 0 166 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.105 74.2 64.7-112.3 16.8 12.2 14.8 36.6 9 118 A H S S- 0 0 67 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.969 72.8-140.1-134.4 153.7 8.9 16.0 35.2 10 119 A H S S+ 0 0 117 -2,-0.3 36,-2.3 1,-0.2 2,-1.2 0.782 85.7 72.5 -76.6 -36.7 6.1 14.1 33.5 11 120 A N E -a 46 0A 94 34,-0.2 2,-0.3 36,-0.1 -1,-0.2 -0.655 66.5-172.8 -96.1 86.1 5.3 16.5 30.7 12 121 A I E -a 47 0A 0 34,-2.1 36,-2.4 -2,-1.2 2,-0.3 -0.597 6.7-155.6 -84.9 134.4 8.0 16.3 28.2 13 122 A T E -a 48 0A 33 -2,-0.3 44,-2.8 34,-0.2 2,-0.3 -0.745 6.9-164.8-107.1 156.2 8.0 18.7 25.3 14 123 A Y E -ab 49 57A 13 34,-2.1 36,-3.1 -2,-0.3 2,-0.4 -0.998 7.5-158.7-142.1 146.4 9.5 18.4 21.9 15 124 A W E - b 0 58A 14 42,-2.1 44,-3.4 -2,-0.3 2,-1.1 -0.986 14.3-146.6-126.8 123.5 10.4 20.8 19.0 16 125 A I E - b 0 59A 6 34,-0.5 44,-0.1 -2,-0.4 42,-0.1 -0.775 22.4-176.0 -83.7 100.4 10.9 19.8 15.4 17 126 A Q - 0 0 72 42,-2.5 2,-0.3 -2,-1.1 -1,-0.2 0.892 59.2 -8.6 -72.7 -39.5 13.5 22.4 14.6 18 127 A N - 0 0 55 41,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.905 66.4-118.0-150.8 179.2 13.9 21.6 10.9 19 128 A Y - 0 0 46 -2,-0.3 2,-0.1 42,-0.1 6,-0.1 -0.975 14.6-128.3-132.5 133.0 12.9 19.1 8.2 20 129 A S > - 0 0 3 -2,-0.4 3,-0.6 1,-0.1 8,-0.1 -0.474 23.4-133.9 -63.9 147.6 14.7 16.7 5.9 21 130 A E T 3 S+ 0 0 192 1,-0.2 -1,-0.1 -2,-0.1 4,-0.0 0.331 90.4 88.6 -86.1 6.9 13.6 17.2 2.3 22 131 A D T 3 S+ 0 0 63 1,-0.1 -1,-0.2 2,-0.1 78,-0.0 0.685 95.1 25.5 -76.7 -18.9 13.2 13.5 1.9 23 132 A L S < S- 0 0 31 -3,-0.6 -1,-0.1 79,-0.1 79,-0.1 -0.960 93.7 -88.8-140.6 156.1 9.5 13.4 3.1 24 133 A P > - 0 0 83 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.338 41.7-117.6 -58.0 149.2 6.6 15.9 3.3 25 134 A R H > S+ 0 0 168 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 114.7 54.2 -59.0 -40.3 6.6 17.9 6.5 26 135 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 107.8 50.1 -63.0 -37.3 3.3 16.4 7.6 27 136 A V H > S+ 0 0 46 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 111.7 48.2 -67.6 -37.8 4.7 12.8 7.2 28 137 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.936 111.4 50.4 -67.1 -45.6 7.8 13.8 9.3 29 138 A D H X S+ 0 0 32 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.931 112.8 46.8 -54.0 -48.0 5.5 15.3 11.9 30 139 A D H X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.861 107.9 55.6 -68.0 -36.4 3.4 12.1 12.0 31 140 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.934 111.8 43.2 -61.3 -46.8 6.5 9.8 12.2 32 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 112.7 52.4 -66.8 -40.5 7.8 11.6 15.2 33 142 A A H X S+ 0 0 40 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.904 110.7 48.8 -61.0 -41.0 4.4 11.7 16.8 34 143 A R H X S+ 0 0 87 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.909 109.0 52.4 -64.6 -40.9 4.0 8.0 16.3 35 144 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.882 111.6 46.2 -63.6 -38.7 7.4 7.3 17.8 36 145 A F H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.884 107.8 57.1 -69.4 -37.5 6.5 9.2 20.9 37 146 A A H X S+ 0 0 52 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.802 98.2 62.1 -63.7 -32.0 3.1 7.5 21.1 38 147 A L H < S+ 0 0 38 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.954 113.3 35.1 -54.0 -51.4 4.9 4.1 21.2 39 148 A W H >< S+ 0 0 0 -4,-1.0 3,-1.3 1,-0.2 4,-0.4 0.894 111.9 58.9 -72.6 -41.9 6.6 5.2 24.5 40 149 A S H >< S+ 0 0 43 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.802 95.8 64.1 -65.4 -26.3 3.8 7.2 26.0 41 150 A A T 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.783 110.6 37.0 -64.5 -28.1 1.3 4.2 26.0 42 151 A V T < S+ 0 0 42 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.337 115.0 57.1-109.3 8.1 3.5 2.3 28.4 43 152 A T S < S- 0 0 15 -3,-0.8 117,-0.1 -4,-0.4 113,-0.1 -0.953 78.7-121.6-137.7 151.2 4.7 5.2 30.7 44 153 A P S S+ 0 0 62 0, 0.0 -4,-0.1 0, 0.0 116,-0.1 0.683 83.7 107.6 -65.4 -13.0 3.2 7.9 32.9 45 154 A L - 0 0 6 -6,-0.1 2,-0.3 -34,-0.1 -2,-0.2 -0.253 56.3-156.3 -64.1 148.5 5.1 10.4 30.7 46 155 A T E -a 11 0A 70 -36,-2.3 -34,-2.1 2,-0.0 2,-0.5 -0.923 5.3-144.2-119.7 154.4 3.3 12.6 28.1 47 156 A F E -a 12 0A 33 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.978 13.5-172.8-121.8 125.7 4.8 14.2 25.0 48 157 A T E -a 13 0A 71 -36,-2.4 -34,-2.1 -2,-0.5 2,-0.3 -0.964 18.4-138.9-121.0 117.7 3.7 17.6 23.8 49 158 A R E +a 14 0A 114 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.586 31.7 175.1 -72.8 132.8 4.9 19.0 20.5 50 159 A V - 0 0 43 -36,-3.1 2,-0.7 -2,-0.3 -34,-0.5 -0.867 38.8-128.0-130.2 164.3 5.7 22.7 20.8 51 160 A Y S S+ 0 0 203 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 -0.869 70.4 106.8-109.8 92.3 7.2 25.3 18.6 52 161 A S S > S- 0 0 43 -2,-0.7 3,-1.4 1,-0.1 -2,-0.1 -0.891 70.4-135.7-169.1 134.7 9.9 26.6 20.9 53 162 A R T 3 S+ 0 0 179 -2,-0.3 -38,-0.1 1,-0.3 5,-0.1 0.680 106.0 68.4 -62.9 -18.3 13.7 26.4 21.3 54 163 A D T 3 S+ 0 0 142 -40,-0.1 -1,-0.3 -3,-0.0 -41,-0.1 0.155 70.6 125.7 -92.9 18.9 12.9 25.7 25.0 55 164 A A < - 0 0 10 -3,-1.4 3,-0.2 1,-0.1 -41,-0.2 -0.397 66.8-126.6 -66.6 154.0 11.5 22.3 24.3 56 165 A D S S+ 0 0 34 -43,-0.3 2,-0.8 1,-0.2 -42,-0.2 0.955 101.2 38.4 -64.3 -52.9 13.0 19.4 26.3 57 166 A I E S-b 14 0A 0 -44,-2.8 -42,-2.1 35,-0.1 2,-0.5 -0.877 76.0-166.7-106.3 103.7 13.7 17.3 23.3 58 167 A V E -b 15 0A 11 -2,-0.8 35,-2.2 30,-0.2 2,-0.5 -0.805 9.8-151.9 -90.5 130.1 14.9 19.4 20.3 59 168 A I E +bc 16 93A 0 -44,-3.4 -42,-2.5 -2,-0.5 -41,-0.7 -0.884 20.0 172.3-108.0 130.8 14.8 17.4 17.1 60 169 A Q E - c 0 94A 34 33,-2.1 35,-2.6 -2,-0.5 2,-0.4 -0.997 27.2-146.6-143.4 134.9 17.2 18.3 14.3 61 170 A F E + c 0 95A 8 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.875 38.5 152.3 -94.0 135.0 18.3 17.0 10.9 62 171 A G E - c 0 96A 12 33,-2.4 35,-2.4 -2,-0.4 36,-0.4 -0.970 33.6-133.3-155.8 169.3 22.0 17.6 10.1 63 172 A V - 0 0 66 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.941 63.6 -28.1-129.6 151.8 25.1 16.4 8.2 64 173 A A S S+ 0 0 47 -2,-0.3 8,-2.5 7,-0.1 2,-0.6 -0.103 127.2 7.4 49.1-134.9 28.7 15.9 9.2 65 174 A E S S+ 0 0 99 6,-0.3 -2,-0.2 1,-0.1 -1,-0.0 -0.680 70.9 165.2 -79.8 119.6 29.7 18.3 11.9 66 175 A H - 0 0 34 -2,-0.6 -1,-0.1 -4,-0.1 -2,-0.1 0.176 65.1 -71.4-127.9 12.9 26.5 20.0 13.0 67 176 A G S S+ 0 0 65 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.719 112.2 74.8 110.4 26.1 27.5 21.6 16.3 68 177 A D S S- 0 0 27 21,-0.0 -3,-0.0 0, 0.0 21,-0.0 0.300 95.4-108.4-145.8 7.4 28.0 19.0 19.0 69 178 A G S S+ 0 0 48 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.526 96.2 99.0 77.3 2.7 31.3 17.3 18.4 70 179 A Y - 0 0 118 -6,-0.1 -1,-0.1 11,-0.0 -4,-0.1 -0.704 64.3-164.3-118.2 76.9 29.6 14.1 17.3 71 180 A P - 0 0 63 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.209 17.0-121.2 -62.8 148.2 29.8 14.5 13.5 72 181 A F - 0 0 9 -8,-2.5 3,-0.1 23,-0.1 -9,-0.1 -0.415 18.0-135.0 -80.0 171.6 27.7 12.4 11.3 73 182 A D - 0 0 72 1,-0.5 -10,-0.0 5,-0.3 -1,-0.0 -0.036 36.0-106.0-126.5 27.9 29.5 10.2 8.7 74 183 A G S S+ 0 0 19 3,-0.1 -1,-0.5 25,-0.0 24,-0.2 -0.296 80.6 5.3 72.4-164.5 27.7 10.6 5.3 75 184 A K S S- 0 0 139 -3,-0.1 24,-0.2 23,-0.1 3,-0.1 -0.171 118.8 -14.3 -58.4 139.3 25.6 7.8 3.9 76 185 A D S S+ 0 0 73 1,-0.2 2,-0.3 20,-0.1 -3,-0.2 -0.054 100.7 76.7 57.9-164.1 24.9 4.7 6.0 77 186 A G S S+ 0 0 39 -5,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.543 100.4 29.0 64.2-128.9 27.0 4.0 9.1 78 187 A L + 0 0 43 -2,-0.3 -5,-0.3 1,-0.1 3,-0.1 -0.389 64.5 178.7 -60.0 134.0 25.7 6.3 11.8 79 188 A L - 0 0 28 1,-0.4 17,-2.7 -2,-0.1 2,-0.3 0.742 58.2 -28.9-107.1 -34.0 22.0 7.1 11.3 80 189 A A E -D 95 0A 10 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.966 52.1-152.6-171.1 166.4 21.1 9.3 14.3 81 190 A H E -D 94 0A 31 13,-2.3 13,-3.3 -2,-0.3 2,-0.3 -0.986 3.9-163.0-153.7 163.4 22.0 10.0 17.9 82 191 A A E -D 93 0A 21 -2,-0.3 11,-0.2 11,-0.2 8,-0.1 -0.998 17.1-127.8-149.3 146.3 20.4 11.4 21.0 83 192 A F - 0 0 29 9,-2.3 3,-0.1 6,-0.3 41,-0.1 -0.652 32.9-106.8 -95.2 147.6 21.5 12.8 24.4 84 193 A P - 0 0 45 0, 0.0 7,-1.3 0, 0.0 8,-0.2 -0.174 58.6 -62.5 -67.2 166.3 20.2 11.5 27.7 85 194 A P S S+ 0 0 8 0, 0.0 -79,-0.1 0, 0.0 6,-0.1 -0.180 87.5 96.6 -56.7 137.7 17.8 13.6 29.8 86 195 A G S S- 0 0 22 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.955 71.0 -51.8 166.6-172.2 19.2 17.0 31.0 87 196 A P S > S- 0 0 110 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.452 94.6 -8.8 -89.9 161.5 19.2 20.7 30.1 88 197 A G T 3 S+ 0 0 63 1,-0.3 -30,-0.2 -2,-0.1 -2,-0.1 -0.362 137.7 6.3 63.8-125.7 20.1 22.3 26.8 89 198 A I T > S+ 0 0 69 -2,-0.1 3,-2.1 2,-0.1 -6,-0.3 0.780 110.6 100.2 -62.4 -26.6 21.6 19.9 24.3 90 199 A Q T < S+ 0 0 61 -3,-1.9 -4,-0.2 1,-0.3 3,-0.1 -0.303 85.5 23.7 -61.7 146.3 20.9 17.1 26.7 91 200 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.278 94.9 130.7 81.0 -10.6 17.7 15.2 25.7 92 201 A D < - 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