==== 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 21-SEP-12 4H82 . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANTONI,E.A.STURA,L.VERA,E.CASSAR-LAJEUNESSE,E.NUTI,V.DIVE, . 640 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 0.2 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 . 53 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 1 6 0 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 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 63 0, 0.0 3,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 161.5 -8.9 6.7 16.2 2 111 A E T 3 + 0 0 189 1,-0.3 3,-0.1 2,-0.2 0, 0.0 -0.417 360.0 10.9 -61.5 118.8 -12.5 7.3 17.5 3 112 A G T 3 S- 0 0 74 -2,-0.3 -1,-0.3 1,-0.1 0, 0.0 0.660 123.9 -84.3 81.8 15.9 -14.5 8.4 14.5 4 113 A D < - 0 0 85 -3,-2.4 -2,-0.2 1,-0.1 -1,-0.1 0.881 54.0-152.9 60.5 51.4 -11.7 7.3 12.1 5 114 A L + 0 0 72 -3,-0.1 2,-0.3 119,-0.1 -1,-0.1 -0.255 28.1 153.7 -57.9 138.3 -9.5 10.5 12.1 6 115 A K - 0 0 71 79,-0.2 118,-0.1 78,-0.1 117,-0.1 -0.975 46.0 -85.8-161.6 157.8 -7.5 10.9 8.9 7 116 A W - 0 0 19 116,-0.4 116,-0.0 -2,-0.3 3,-0.0 -0.379 22.4-156.0 -70.1 149.3 -5.9 13.7 6.8 8 117 A H S S+ 0 0 158 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.093 76.6 50.9-115.6 19.2 -8.0 15.6 4.3 9 118 A H S S- 0 0 77 1,-0.0 3,-0.1 0, 0.0 -2,-0.1 -0.963 72.0-137.2-146.7 163.3 -5.1 16.7 2.1 10 119 A H S S+ 0 0 104 -2,-0.3 36,-4.0 1,-0.2 2,-1.0 0.613 83.8 74.3-102.3 -14.5 -2.2 14.8 0.5 11 120 A N E -a 46 0A 76 34,-0.2 2,-0.6 36,-0.1 36,-0.2 -0.617 63.6-174.5-101.5 77.1 0.8 17.0 1.1 12 121 A I E -a 47 0A 1 34,-1.6 36,-1.9 -2,-1.0 2,-0.3 -0.578 10.0-157.7 -74.4 115.3 1.5 16.5 4.8 13 122 A T E -a 48 0A 24 -2,-0.6 44,-2.4 34,-0.2 2,-0.4 -0.646 3.8-156.3 -95.5 151.1 4.3 18.9 5.8 14 123 A Y E -ab 49 57A 22 34,-2.2 36,-2.9 -2,-0.3 2,-0.4 -0.970 6.0-164.0-128.7 145.0 6.6 18.4 8.8 15 124 A W E - b 0 58A 48 42,-1.5 44,-3.6 -2,-0.4 2,-0.8 -0.990 12.8-147.1-124.3 133.2 8.6 20.9 10.8 16 125 A I E - b 0 59A 11 34,-0.4 44,-0.2 -2,-0.4 42,-0.1 -0.879 11.4-172.0-100.9 104.9 11.4 19.9 13.2 17 126 A Q - 0 0 94 42,-2.9 2,-0.3 -2,-0.8 43,-0.2 0.818 66.2 -13.8 -68.8 -31.4 11.3 22.4 16.0 18 127 A N - 0 0 57 41,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.959 62.1-121.1-160.0 178.8 14.6 21.0 17.5 19 128 A Y - 0 0 26 -2,-0.3 6,-0.1 41,-0.1 2,-0.1 -0.949 23.0-118.4-132.7 147.4 17.1 18.2 17.6 20 129 A S - 0 0 3 -2,-0.3 3,-0.2 4,-0.1 8,-0.1 -0.380 19.9-132.5 -76.3 162.4 18.4 15.9 20.2 21 130 A E S S+ 0 0 175 1,-0.2 -1,-0.1 76,-0.1 4,-0.1 0.319 92.8 81.4-100.8 8.0 22.1 16.0 21.1 22 131 A D S S+ 0 0 68 2,-0.1 -1,-0.2 80,-0.0 78,-0.0 0.857 99.4 30.0 -76.5 -39.6 22.5 12.2 20.9 23 132 A L S S- 0 0 28 -3,-0.2 2,-0.1 1,-0.1 79,-0.1 -0.731 98.1 -90.3-115.1 164.4 22.8 12.2 17.1 24 133 A P > - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.433 43.8-110.5 -69.2 158.4 24.1 14.7 14.6 25 134 A R H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -5,-0.1 0.854 116.5 47.4 -57.5 -37.2 21.4 17.1 13.3 26 135 A A H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.727 103.7 58.5 -84.3 -23.1 21.5 15.5 9.9 27 136 A V H > S+ 0 0 43 -3,-0.4 4,-3.4 2,-0.2 -1,-0.2 0.955 109.6 46.4 -64.5 -47.9 21.4 11.9 10.9 28 137 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.880 107.9 58.2 -60.1 -39.9 18.1 12.8 12.7 29 138 A D H X S+ 0 0 28 -4,-1.5 4,-1.8 2,-0.2 3,-0.4 0.952 112.7 38.2 -51.1 -55.8 17.0 14.6 9.5 30 139 A D H X S+ 0 0 86 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.922 108.8 63.0 -63.5 -47.4 17.4 11.4 7.5 31 140 A A H < S+ 0 0 0 -4,-3.4 4,-0.5 1,-0.3 -1,-0.2 0.791 110.1 40.6 -48.8 -34.7 16.1 9.2 10.3 32 141 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.3 0.846 110.7 57.4 -81.1 -39.9 12.7 11.1 9.9 33 142 A A H X S+ 0 0 37 -4,-1.8 4,-2.3 1,-0.2 3,-0.5 0.943 107.3 47.1 -56.2 -51.6 12.8 11.2 6.2 34 143 A R H X S+ 0 0 92 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.760 106.8 59.3 -62.0 -27.5 13.0 7.4 5.9 35 144 A A H 4 S+ 0 0 0 -4,-0.5 4,-0.4 -5,-0.3 -1,-0.2 0.869 108.6 43.6 -72.9 -36.1 10.2 7.0 8.4 36 145 A F H >X S+ 0 0 6 -4,-1.7 4,-3.2 -3,-0.5 3,-2.3 0.900 107.4 59.1 -70.3 -45.4 7.8 9.0 6.2 37 146 A A H 3X S+ 0 0 51 -4,-2.3 4,-1.3 1,-0.3 -2,-0.2 0.780 96.9 63.1 -57.4 -28.6 9.0 7.2 3.1 38 147 A L H 3< S+ 0 0 33 -4,-1.1 -1,-0.3 -5,-0.2 4,-0.2 0.814 116.1 30.3 -58.4 -32.2 7.8 4.1 4.9 39 148 A W H <> S+ 0 0 1 -3,-2.3 4,-0.9 -4,-0.4 3,-0.4 0.731 110.2 63.6-102.8 -29.7 4.4 5.6 4.7 40 149 A S H >< S+ 0 0 49 -4,-3.2 3,-0.6 1,-0.2 -3,-0.2 0.891 100.4 57.7 -59.6 -38.4 4.5 7.7 1.5 41 150 A A T 3< S+ 0 0 82 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.803 113.8 35.2 -63.5 -32.2 5.0 4.4 -0.3 42 151 A V T 34 S+ 0 0 36 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.429 113.4 66.0-107.5 2.3 1.8 2.9 0.9 43 152 A T S << S- 0 0 17 -4,-0.9 113,-0.1 -3,-0.6 117,-0.1 -0.793 78.1-125.0-119.5 159.8 -0.4 6.0 1.0 44 153 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.155 88.2 99.0 -81.2 20.7 -1.9 8.6 -1.4 45 154 A L - 0 0 3 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.3 -0.763 59.8-155.3-109.0 154.0 -0.0 11.1 0.8 46 155 A T E -a 11 0A 73 -36,-4.0 -34,-1.6 -2,-0.3 2,-0.5 -0.917 13.4-134.9-124.4 153.0 3.3 12.8 0.2 47 156 A F E -a 12 0A 34 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.939 18.0-171.6-121.8 122.1 5.5 14.2 2.9 48 157 A T E -a 13 0A 49 -36,-1.9 -34,-2.2 -2,-0.5 2,-0.2 -0.920 17.8-139.6-118.6 115.8 7.2 17.6 2.7 49 158 A R E +a 14 0A 66 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.544 34.5 171.7 -69.6 135.2 9.8 19.0 5.0 50 159 A V - 0 0 34 -36,-2.9 -34,-0.4 -2,-0.2 2,-0.4 -0.861 39.3-131.3-137.1 173.2 9.2 22.7 5.7 51 160 A Y S S+ 0 0 162 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 -0.762 70.8 94.2-129.1 81.0 10.4 25.4 8.0 52 161 A S S > S- 0 0 54 -2,-0.4 3,-1.4 -38,-0.0 -2,-0.1 -0.897 71.1-130.8-172.6 132.6 7.2 26.9 9.3 53 162 A R T 3 S+ 0 0 203 -2,-0.3 5,-0.1 1,-0.3 -38,-0.1 0.364 102.6 74.3 -77.1 7.6 5.1 26.4 12.4 54 163 A D T 3 S+ 0 0 149 3,-0.0 -1,-0.3 0, 0.0 -41,-0.1 0.274 72.5 128.5 -96.4 10.8 2.0 26.1 10.3 55 164 A A < - 0 0 10 -3,-1.4 3,-0.2 1,-0.1 -41,-0.1 -0.308 64.0-131.0 -62.4 147.4 3.3 22.6 9.3 56 165 A D S S+ 0 0 35 -43,-0.3 2,-0.9 1,-0.2 -42,-0.2 0.995 97.7 34.8 -63.5 -66.9 0.9 19.7 9.7 57 166 A I E S-b 14 0A 1 -44,-2.4 -42,-1.5 34,-0.1 2,-0.4 -0.806 78.2-168.3 -93.3 102.3 3.1 17.3 11.7 58 167 A V E -b 15 0A 14 -2,-0.9 35,-1.7 -44,-0.2 2,-0.4 -0.780 9.0-156.5 -91.2 135.3 5.3 19.4 14.0 59 168 A I E +bc 16 93A 0 -44,-3.6 -42,-2.9 -2,-0.4 -41,-0.6 -0.925 19.1 158.5-120.8 135.8 8.1 17.4 15.5 60 169 A Q E - c 0 94A 32 33,-2.0 35,-1.6 -2,-0.4 2,-0.3 -0.989 31.9-132.3-148.5 158.6 10.1 18.0 18.7 61 170 A F E + c 0 95A 5 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.791 37.7 160.9-101.2 155.4 12.3 16.4 21.4 62 171 A G E - c 0 96A 10 33,-2.5 35,-1.1 -2,-0.3 36,-0.4 -0.909 33.9-130.1-176.8 143.9 11.6 17.1 25.0 63 172 A V - 0 0 71 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.819 67.2 -42.8-105.2 141.2 12.1 16.0 28.6 64 173 A A S S+ 0 0 26 -2,-0.4 8,-1.5 7,-0.1 2,-0.2 -0.082 124.5 22.6 46.9-134.3 9.3 15.6 31.2 65 174 A E S S+ 0 0 148 6,-0.3 -2,-0.2 1,-0.1 8,-0.0 -0.443 71.0 157.3 -57.9 124.8 6.7 18.4 31.1 66 175 A H - 0 0 38 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.403 62.6 -69.6-140.2 0.9 7.0 19.9 27.6 67 176 A G S S+ 0 0 74 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.278 113.0 72.7 147.9 -56.2 3.8 21.7 26.7 68 177 A D S S- 0 0 35 2,-0.2 -3,-0.1 1,-0.1 21,-0.0 0.453 98.6-114.8 -75.3 0.5 0.7 19.5 26.1 69 178 A G S S+ 0 0 61 1,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.600 91.9 110.3 72.1 10.8 0.4 18.7 29.8 70 179 A Y - 0 0 144 -6,-0.1 -2,-0.2 0, 0.0 -1,-0.1 -0.693 59.8-164.1-111.4 73.5 1.2 15.1 28.9 71 180 A P - 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