==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-07 2JSD . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-20; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ARENDT,L.BANCI,I.BERTINI,F.CANTINI,R.COZZI,R.DEL CONTE, . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 G 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.3 -18.9 -9.3 12.6 2 114 A E - 0 0 130 155,-0.1 119,-0.0 3,-0.1 0, 0.0 -0.811 360.0-122.5 -97.9 151.4 -15.3 -9.1 11.1 3 115 A P S S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.493 81.9 101.1 -72.6 -7.1 -13.6 -5.6 11.3 4 116 A K S S- 0 0 58 1,-0.2 117,-0.1 117,-0.1 116,-0.1 0.131 83.7 -46.1 -66.4-171.8 -13.1 -5.5 7.5 5 117 A W - 0 0 15 115,-0.7 -1,-0.2 1,-0.1 -3,-0.1 -0.299 27.5-164.8 -78.3 142.0 -15.3 -3.5 5.0 6 118 A K S S+ 0 0 198 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.436 82.7 42.4 -91.1 -7.4 -19.2 -3.2 4.9 7 119 A K - 0 0 65 1,-0.0 -2,-0.0 0, 0.0 3,-0.0 -0.934 65.7-145.5-134.1 166.2 -19.0 -1.7 1.3 8 120 A N S S+ 0 0 54 -2,-0.3 36,-2.7 1,-0.1 2,-0.8 0.538 83.2 79.0-111.1 -13.5 -17.0 -2.4 -1.9 9 121 A T E -a 44 0A 95 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.860 68.2-176.0 -97.8 95.0 -16.7 1.2 -3.2 10 122 A L E -a 45 0A 1 34,-2.7 36,-3.4 -2,-0.8 2,-0.3 -0.611 16.4-130.4 -92.6 156.2 -13.8 2.6 -1.0 11 123 A T E -a 46 0A 42 34,-0.2 44,-2.4 -2,-0.2 2,-0.3 -0.828 18.9-167.4-107.4 145.3 -12.5 6.2 -1.1 12 124 A Y E +ab 47 55A 13 34,-1.9 36,-2.5 -2,-0.3 2,-0.3 -0.996 10.6 174.4-134.4 143.1 -8.9 7.5 -1.4 13 125 A R E - b 0 56A 99 42,-1.7 44,-2.1 -2,-0.3 2,-0.2 -0.980 18.1-147.3-138.2 131.1 -7.1 10.8 -0.9 14 126 A I E + b 0 57A 35 -2,-0.3 44,-0.2 42,-0.2 3,-0.1 -0.635 18.4 171.9 -83.0 146.7 -3.3 11.6 -1.0 15 127 A S + 0 0 59 42,-2.3 2,-0.3 1,-0.3 43,-0.2 0.455 65.2 14.0-127.4 -11.4 -1.8 14.3 1.2 16 128 A K - 0 0 107 41,-0.8 -1,-0.3 7,-0.0 2,-0.3 -0.969 61.1-156.1-153.0 167.6 2.0 13.9 0.7 17 129 A Y - 0 0 96 -2,-0.3 42,-0.1 42,-0.1 6,-0.0 -0.903 26.8 -96.7-142.2 172.6 4.7 12.2 -1.6 18 130 A T - 0 0 7 -2,-0.3 3,-0.4 1,-0.1 8,-0.1 -0.562 29.7-133.2 -72.2 151.5 8.3 10.8 -1.9 19 131 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.809 97.9 69.8 -73.2 -31.3 10.8 13.2 -3.6 20 132 A S S S+ 0 0 71 2,-0.0 2,-0.3 80,-0.0 78,-0.0 0.585 104.7 34.7 -66.3 -16.9 12.2 10.4 -5.9 21 133 A M S S- 0 0 23 -3,-0.4 2,-0.2 79,-0.1 78,-0.0 -0.928 86.8-109.7-131.5 154.9 9.1 10.2 -8.1 22 134 A S >> - 0 0 81 -2,-0.3 4,-2.0 1,-0.1 3,-1.5 -0.629 35.6-105.3 -87.7 156.9 6.5 12.8 -9.3 23 135 A S H 3> S+ 0 0 55 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.790 122.6 50.2 -47.5 -37.5 2.9 12.9 -8.0 24 136 A V H 3> S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.808 109.6 50.5 -73.7 -32.7 1.6 11.5 -11.3 25 137 A E H <> S+ 0 0 90 -3,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.780 110.7 49.4 -75.9 -34.9 4.2 8.6 -11.2 26 138 A V H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.935 113.7 45.1 -69.9 -46.2 3.2 7.8 -7.6 27 139 A D H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.968 115.6 48.4 -58.9 -47.5 -0.6 7.7 -8.6 28 140 A K H X S+ 0 0 103 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.795 109.6 53.2 -61.6 -31.1 0.5 5.7 -11.7 29 141 A A H < S+ 0 0 0 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.879 113.1 42.4 -72.5 -39.2 2.6 3.3 -9.3 30 142 A V H >X S+ 0 0 14 -4,-2.2 4,-2.0 -3,-0.2 3,-1.1 0.832 99.1 73.5 -74.4 -31.1 -0.5 2.7 -7.0 31 143 A E H 3X S+ 0 0 116 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.873 96.5 50.7 -52.4 -39.4 -3.0 2.3 -10.0 32 144 A M H 3X S+ 0 0 63 -4,-0.7 4,-1.2 1,-0.2 -1,-0.3 0.816 110.0 49.9 -67.4 -32.7 -1.5 -1.1 -10.8 33 145 A A H <> S+ 0 0 0 -3,-1.1 4,-1.1 -4,-0.5 -2,-0.2 0.861 108.8 51.6 -75.5 -39.4 -1.8 -2.2 -7.1 34 146 A L H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.935 108.1 52.8 -59.1 -49.5 -5.5 -1.1 -6.9 35 147 A Q H X S+ 0 0 110 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.855 100.1 61.4 -57.4 -42.1 -6.3 -3.1 -10.1 36 148 A A H >X S+ 0 0 4 -4,-1.2 4,-0.9 2,-0.2 3,-0.7 0.920 110.3 40.4 -54.7 -44.0 -4.8 -6.4 -8.7 37 149 A W H >X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.4 3,-0.6 0.915 110.6 57.0 -72.4 -38.9 -7.4 -6.3 -5.8 38 150 A S H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.535 107.3 52.5 -67.7 -5.5 -10.2 -5.2 -8.2 39 151 A S H << S+ 0 0 77 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.667 107.8 48.8 -93.3 -31.0 -9.2 -8.5 -10.1 40 152 A A H << S+ 0 0 12 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.705 128.0 4.3 -82.8 -22.5 -9.5 -10.7 -7.0 41 153 A V S < S- 0 0 8 -4,-1.6 2,-1.8 2,-0.1 -1,-0.2 -0.979 84.3 -90.7-153.2 159.2 -13.0 -9.3 -6.0 42 154 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.561 80.4 118.4 -71.6 82.3 -15.8 -6.9 -7.2 43 155 A L - 0 0 14 -2,-1.8 2,-0.3 -5,-0.1 -34,-0.2 -0.909 42.3-161.5-134.9 167.5 -14.4 -3.8 -5.4 44 156 A S E -a 9 0A 59 -36,-2.7 -34,-2.7 -2,-0.3 2,-0.6 -0.981 16.6-139.5-152.2 151.0 -13.1 -0.3 -6.4 45 157 A F E -a 10 0A 16 -2,-0.3 2,-0.6 -36,-0.2 -34,-0.2 -0.930 22.5-160.8-108.7 107.3 -11.1 2.5 -5.0 46 158 A V E -a 11 0A 80 -36,-3.4 -34,-1.9 -2,-0.6 2,-0.4 -0.822 13.7-135.0 -99.8 116.7 -12.6 6.0 -5.9 47 159 A R E -a 12 0A 171 -2,-0.6 -34,-0.2 -36,-0.2 2,-0.2 -0.564 26.3-157.8 -78.8 126.3 -10.2 8.9 -5.6 48 160 A I - 0 0 42 -36,-2.5 3,-0.1 -2,-0.4 5,-0.1 -0.509 26.8-162.9-102.5 167.2 -11.8 12.0 -3.9 49 161 A N S S+ 0 0 162 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.508 83.6 34.9-122.1 -12.1 -11.3 15.8 -3.8 50 162 A S S S+ 0 0 123 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.615 97.5 45.5-155.5 87.2 -13.3 16.7 -0.6 51 163 A G S S- 0 0 47 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.317 84.6 -85.9 147.1 130.3 -13.6 14.5 2.6 52 164 A E - 0 0 122 -2,-0.1 4,-0.1 1,-0.1 -41,-0.1 -0.343 59.9-135.2 -56.4 109.3 -11.3 12.4 4.8 53 165 A A - 0 0 2 -2,-0.3 3,-0.3 2,-0.1 -41,-0.1 0.008 17.4-114.9 -67.1 167.9 -11.2 9.1 2.9 54 166 A D S S+ 0 0 29 1,-0.3 2,-0.6 -43,-0.1 -42,-0.2 0.969 117.3 34.2 -61.2 -46.9 -11.6 5.5 4.1 55 167 A I E S+b 12 0A 2 -44,-2.4 -42,-1.7 35,-0.1 2,-0.4 -0.915 76.3 177.1-114.2 106.1 -7.9 5.2 2.8 56 168 A M E -b 13 0A 32 -2,-0.6 35,-1.5 -3,-0.3 2,-0.4 -0.898 13.9-154.4-106.8 139.7 -5.8 8.4 3.2 57 169 A I E +bc 14 91A 17 -44,-2.1 -42,-2.3 -2,-0.4 -41,-0.8 -0.948 20.9 152.0-128.2 138.9 -2.1 8.2 2.2 58 170 A S E - c 0 92A 16 33,-1.5 35,-2.5 -2,-0.4 2,-0.4 -0.967 39.9-117.2-157.7 160.6 1.0 10.1 3.3 59 171 A F E + c 0 93A 13 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.953 39.7 174.2-112.2 129.6 4.8 10.2 3.8 60 172 A E E - c 0 94A 58 33,-2.2 35,-2.3 -2,-0.4 2,-0.5 -0.897 24.6-135.7-141.6 155.6 5.9 10.5 7.4 61 173 A N - 0 0 98 2,-0.3 2,-0.1 -2,-0.3 33,-0.1 -0.961 61.1 -49.7-129.2 116.2 9.2 10.5 9.4 62 174 A G S S+ 0 0 24 -2,-0.5 8,-1.0 2,-0.1 9,-0.1 -0.415 122.0 25.7 60.2-130.3 9.7 8.6 12.7 63 175 A D + 0 0 139 6,-0.2 -2,-0.3 -2,-0.1 4,-0.1 -0.378 61.1 159.2 -60.3 137.9 6.9 9.5 15.2 64 176 A H S S- 0 0 27 2,-0.4 -1,-0.1 -4,-0.1 3,-0.1 -0.038 77.6 -67.8-152.8 26.5 3.7 10.6 13.4 65 177 A G S S+ 0 0 76 1,-0.3 2,-0.4 2,-0.0 -2,-0.1 0.688 107.0 108.6 79.7 20.6 1.0 10.1 16.1 66 178 A D S S- 0 0 15 1,-0.0 -2,-0.4 2,-0.0 -1,-0.3 -1.000 72.4-136.1-119.8 133.9 1.3 6.2 16.1 67 179 A S S S+ 0 0 124 -2,-0.4 -4,-0.0 1,-0.2 -1,-0.0 0.513 105.2 66.6 -57.7 -6.8 2.9 4.3 19.0 68 180 A Y S S- 0 0 119 -6,-0.1 -1,-0.2 -4,-0.0 -4,-0.1 -0.935 79.2-179.2-115.7 95.4 4.6 2.5 16.0 69 181 A P - 0 0 71 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.100 34.0 -81.6 -77.7-175.1 6.9 5.2 14.4 70 182 A F - 0 0 15 -8,-1.0 -7,-0.1 23,-0.1 7,-0.1 -0.601 29.2-143.3 -87.9 163.8 9.1 4.8 11.3 71 183 A D - 0 0 78 5,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.258 32.7-125.5-120.4 4.1 12.6 3.2 11.6 72 184 A G S S+ 0 0 18 1,-0.2 -1,-0.3 4,-0.1 24,-0.2 -0.644 72.5 7.9 94.1-138.1 14.8 5.1 9.1 73 185 A P S S+ 0 0 94 0, 0.0 2,-0.2 0, 0.0 25,-0.2 0.373 122.9 10.8 -74.5 -0.2 17.0 3.8 6.2 74 186 A R S S+ 0 0 197 -3,-0.3 2,-0.3 2,-0.1 -3,-0.2 -0.760 97.2 44.7-147.1-164.9 15.8 0.1 6.1 75 187 A G S S+ 0 0 60 -2,-0.2 2,-0.6 60,-0.1 -3,-0.0 -0.422 98.5 48.0 72.6-116.7 13.2 -2.4 7.5 76 188 A T + 0 0 58 -2,-0.3 -5,-0.3 1,-0.2 3,-0.2 -0.443 56.2 170.6 -62.3 100.8 9.7 -1.0 7.5 77 189 A L S S+ 0 0 14 -2,-0.6 17,-2.0 1,-0.4 2,-0.3 0.909 72.3 2.2 -75.4 -45.6 9.1 0.4 3.9 78 190 A A E -D 93 0A 19 15,-0.2 2,-0.4 33,-0.1 -1,-0.4 -0.997 61.1-166.3-145.7 132.8 5.4 0.9 4.4 79 191 A H E -D 92 0A 34 13,-2.6 13,-2.0 -2,-0.3 2,-0.2 -0.967 12.4-169.2-125.8 120.9 3.0 0.4 7.3 80 192 A A E -D 91 0A 14 -2,-0.4 2,-0.2 11,-0.2 11,-0.2 -0.479 21.4-116.0 -90.9 160.6 -0.7 0.4 6.7 81 193 A F - 0 0 31 9,-1.0 3,-0.1 6,-0.2 -1,-0.1 -0.631 33.2-106.3 -85.9 158.8 -3.6 0.5 9.2 82 194 A A - 0 0 62 -2,-0.2 7,-2.5 1,-0.2 8,-0.3 -0.323 58.1 -70.0 -66.3 165.6 -6.0 -2.3 9.5 83 195 A P S S+ 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.265 85.3 107.2 -53.3 146.7 -9.6 -1.7 8.1 84 196 A G S S- 0 0 31 35,-0.2 5,-0.0 4,-0.2 -30,-0.0 -0.705 70.6 -94.6-178.0-125.6 -11.6 0.9 10.1 85 197 A E S S+ 0 0 157 -2,-0.2 -1,-0.1 5,-0.0 0, 0.0 0.312 99.0 32.5-141.7 -67.1 -12.7 4.5 9.7 86 198 A G S S- 0 0 39 1,-0.1 -2,-0.1 3,-0.0 4,-0.1 0.935 143.3 -6.8 -69.9-101.9 -10.4 7.1 11.3 87 199 A L S > S+ 0 0 97 2,-0.1 3,-2.4 -32,-0.1 -6,-0.2 0.856 117.5 108.9 -63.5 -31.6 -6.7 6.1 11.2 88 200 A G T 3 S+ 0 0 9 1,-0.3 -4,-0.2 -5,-0.1 3,-0.1 -0.120 83.2 13.7 -40.2 133.2 -8.3 2.8 9.9 89 201 A G T 3 S+ 0 0 0 -7,-2.5 2,-0.4 1,-0.2 -1,-0.3 0.255 96.6 129.1 75.4 -9.5 -7.6 2.2 6.2 90 202 A D < - 0 0 14 -3,-2.4 -9,-1.0 -8,-0.3 2,-0.4 -0.661 46.2-151.6 -90.1 130.9 -4.8 4.9 6.2 91 203 A T E -cD 57 80A 2 -35,-1.5 -33,-1.5 -2,-0.4 2,-0.4 -0.843 6.4-160.9-113.3 128.0 -1.5 3.9 4.7 92 204 A H E -cD 58 79A 14 -13,-2.0 -13,-2.6 -2,-0.4 2,-0.3 -0.942 2.2-162.0-117.4 127.9 1.8 5.5 5.8 93 205 A F E -cD 59 78A 9 -35,-2.5 -33,-2.2 -2,-0.4 2,-0.5 -0.823 27.9-104.9-112.2 145.8 5.1 5.4 3.9 94 206 A D E > -c 60 0A 0 -17,-2.0 3,-0.6 -2,-0.3 -33,-0.2 -0.536 24.0-174.0 -78.4 121.7 8.7 6.1 5.2 95 207 A N T 3 S+ 0 0 64 -35,-2.3 -34,-0.2 -2,-0.5 -1,-0.1 0.401 76.4 76.0 -87.8 -1.4 10.2 9.5 4.2 96 208 A A T 3 S+ 0 0 52 -36,-0.3 -1,-0.2 -24,-0.2 2,-0.2 0.343 99.6 37.3 -91.0 3.7 13.7 8.6 5.8 97 209 A E S < S- 0 0 21 -3,-0.6 2,-0.5 -20,-0.1 -23,-0.1 -0.543 90.7 -72.0-140.3-160.1 14.7 6.2 2.9 98 210 A K - 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