==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-SEP-11 3TSK . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,F.BEAU,L.VERA . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.7 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.1 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 1 0 0 0 1 0 0 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 1 105 A M 0 0 184 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 150.7 0.2 18.9 -15.7 2 106 A G - 0 0 47 119,-0.2 2,-0.1 1,-0.2 120,-0.0 0.163 360.0 -53.1 -63.0-171.9 3.8 19.0 -14.2 3 107 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.410 56.6-174.1 -72.6 149.5 5.9 15.8 -13.9 4 108 A V - 0 0 37 78,-0.1 117,-0.1 -3,-0.1 2,-0.1 -0.935 37.2 -92.9-135.8 154.2 4.5 12.7 -12.2 5 109 A W - 0 0 20 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.480 31.5-143.5 -66.1 139.9 6.1 9.4 -11.3 6 110 A R S S+ 0 0 241 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.408 82.4 52.9 -90.6 5.7 5.5 7.1 -14.2 7 111 A K S S- 0 0 95 2,-0.1 -2,-0.1 1,-0.0 36,-0.0 -0.846 71.2-143.8-127.0 160.7 5.0 4.1 -11.9 8 112 A H S S+ 0 0 90 -2,-0.3 36,-2.8 35,-0.1 2,-0.6 0.529 86.1 80.8-100.2 -15.5 2.7 3.7 -8.9 9 113 A Y E +a 44 0A 129 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.874 67.4 177.4 -90.8 120.3 5.3 1.6 -6.9 10 114 A I E -a 45 0A 0 34,-2.8 36,-2.4 -2,-0.6 2,-0.3 -0.985 15.2-154.5-134.7 129.5 7.7 4.2 -5.5 11 115 A T E -a 46 0A 25 -2,-0.4 44,-2.2 34,-0.2 43,-0.6 -0.743 9.7-175.3-105.0 157.3 10.7 3.7 -3.2 12 116 A Y E -ab 47 55A 9 34,-1.6 36,-2.9 -2,-0.3 2,-0.3 -0.968 6.5-162.8-141.8 161.0 12.5 6.0 -0.7 13 117 A R E - b 0 56A 66 42,-2.6 44,-2.6 -2,-0.3 2,-0.9 -0.997 22.6-127.5-143.9 139.9 15.6 5.9 1.5 14 118 A I E - b 0 57A 13 34,-0.4 44,-0.1 -2,-0.3 3,-0.1 -0.768 20.1-167.7 -88.3 108.8 16.6 8.0 4.5 15 119 A N - 0 0 81 42,-2.4 2,-0.3 -2,-0.9 43,-0.2 0.892 65.8 -15.8 -63.1 -45.4 20.1 9.4 3.8 16 120 A N - 0 0 52 41,-0.6 2,-0.4 44,-0.0 -1,-0.2 -0.951 66.8-115.4-158.6 170.2 20.9 10.6 7.3 17 121 A Y - 0 0 50 -2,-0.3 6,-0.1 -3,-0.1 42,-0.0 -0.907 21.6-119.5-124.8 142.3 19.2 11.4 10.6 18 122 A T > - 0 0 4 -2,-0.4 3,-0.5 1,-0.1 8,-0.1 -0.430 17.1-137.3 -74.5 144.3 18.8 14.6 12.5 19 123 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.543 93.2 78.9 -75.5 -10.3 20.3 14.7 16.1 20 124 A D T 3 S+ 0 0 44 2,-0.1 2,-0.3 75,-0.1 78,-0.0 0.764 96.9 36.9 -73.4 -24.1 17.2 16.4 17.4 21 125 A M S < S- 0 0 21 -3,-0.5 2,-0.2 79,-0.1 79,-0.1 -0.771 92.5 -92.0-122.5 166.4 15.1 13.3 17.5 22 126 A N >> - 0 0 102 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.562 41.0-122.5 -67.9 144.2 15.5 9.6 18.3 23 127 A R H 3> S+ 0 0 135 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.823 113.2 53.4 -62.1 -36.5 16.2 7.7 15.1 24 128 A E H 3> S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.790 105.8 55.5 -69.7 -29.5 13.1 5.5 15.4 25 129 A D H <> S+ 0 0 56 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.857 107.8 49.4 -68.4 -38.4 11.0 8.8 15.8 26 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.942 111.1 48.1 -65.2 -48.7 12.4 10.0 12.4 27 131 A D H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.922 114.7 47.4 -60.5 -39.0 11.6 6.7 10.7 28 132 A Y H X S+ 0 0 116 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.978 111.0 48.2 -65.3 -54.5 8.1 6.8 12.2 29 133 A A H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.903 116.5 44.8 -48.9 -50.0 7.3 10.4 11.3 30 134 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.913 112.0 49.8 -67.0 -46.1 8.5 9.8 7.7 31 135 A R H X S+ 0 0 127 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.903 112.8 49.8 -56.3 -45.9 6.8 6.5 7.2 32 136 A K H X S+ 0 0 86 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.857 105.8 54.5 -59.4 -44.2 3.6 8.1 8.5 33 137 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.921 110.7 47.3 -57.3 -49.7 3.9 11.1 6.1 34 138 A F H X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.877 107.0 57.4 -52.9 -43.0 4.1 8.7 3.2 35 139 A Q H X S+ 0 0 87 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.918 97.2 64.1 -59.9 -42.1 1.1 6.8 4.6 36 140 A V H < S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.4 33.4 -42.1 -52.4 -1.0 10.0 4.4 37 141 A W H >< S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.3 6,-0.3 0.697 112.2 62.8 -83.8 -26.1 -0.8 10.2 0.6 38 142 A S H >< S+ 0 0 29 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.838 97.2 60.9 -64.4 -31.6 -0.8 6.4 0.2 39 143 A N T 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.497 110.6 36.1 -74.9 -1.7 -4.2 6.5 1.7 40 144 A V T < S+ 0 0 34 -3,-1.0 -1,-0.2 3,-0.1 -2,-0.2 0.195 115.2 49.9-139.2 11.8 -5.8 8.7 -1.0 41 145 A T S < S- 0 0 23 -3,-0.8 118,-0.1 -4,-0.2 114,-0.1 -0.909 85.6-106.4-142.7 168.6 -4.1 7.4 -4.1 42 146 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.243 80.9 124.5 -78.0 14.2 -3.1 4.3 -6.0 43 147 A L - 0 0 5 -6,-0.3 2,-0.4 115,-0.1 -2,-0.2 -0.579 44.6-164.5 -87.2 138.0 0.5 4.9 -4.8 44 148 A K E -a 9 0A 122 -36,-2.8 -34,-2.8 -2,-0.3 2,-0.5 -0.978 7.5-156.1-119.7 128.7 2.5 2.3 -2.8 45 149 A F E -a 10 0A 31 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.927 7.6-171.8-112.3 122.2 5.7 3.4 -1.0 46 150 A S E -a 11 0A 26 -36,-2.4 -34,-1.6 -2,-0.5 2,-0.3 -0.940 15.7-142.2-117.7 118.0 8.6 1.1 -0.1 47 151 A K E -a 12 0A 63 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.572 15.8-161.7 -74.3 131.4 11.5 2.1 2.2 48 152 A I - 0 0 36 -36,-2.9 -34,-0.4 -2,-0.3 3,-0.1 -0.891 12.5-157.4-110.9 150.5 14.8 0.7 1.1 49 153 A N S S+ 0 0 127 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.723 79.2 13.1 -97.9 -31.6 17.7 0.6 3.5 50 154 A T S S+ 0 0 124 2,-0.1 -1,-0.3 -37,-0.0 2,-0.2 -0.993 103.7 26.7-143.3 149.9 20.5 0.5 1.0 51 155 A G S S- 0 0 43 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.622 95.2 -6.1 106.7-164.5 20.6 1.1 -2.8 52 156 A M + 0 0 186 -2,-0.2 2,-0.4 -40,-0.0 -2,-0.1 -0.588 59.4 175.2 -77.8 123.2 18.7 3.1 -5.4 53 157 A A - 0 0 28 -2,-0.4 -41,-0.2 1,-0.1 3,-0.1 -0.938 34.7-137.7-123.0 148.5 15.6 4.9 -4.2 54 158 A D S S+ 0 0 29 -43,-0.6 2,-0.5 -2,-0.4 -42,-0.2 0.923 96.1 43.5 -65.0 -44.2 13.3 7.2 -6.1 55 159 A I E -b 12 0A 0 -44,-2.2 -42,-2.6 -3,-0.1 2,-0.6 -0.905 69.4-164.3-112.7 116.7 13.1 9.6 -3.1 56 160 A L E -b 13 0A 35 -2,-0.5 35,-2.3 -44,-0.2 2,-0.5 -0.886 9.1-152.2 -95.0 125.5 16.0 10.5 -0.9 57 161 A V E -bc 14 91A 1 -44,-2.6 -42,-2.4 -2,-0.6 -41,-0.6 -0.837 22.9-175.2 -91.8 126.6 15.3 12.1 2.5 58 162 A V E - c 0 92A 20 33,-2.6 35,-3.3 -2,-0.5 2,-0.5 -0.983 25.6-158.2-128.0 134.4 18.2 14.4 3.5 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.969 41.3 137.7-105.7 119.2 19.0 16.4 6.7 60 164 A A E - c 0 94A 20 33,-2.1 35,-2.4 -2,-0.5 36,-0.3 -0.946 37.1-133.0-153.3 165.7 21.5 19.2 5.7 61 165 A R - 0 0 142 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.892 55.6 -21.9-130.7 159.1 22.2 22.9 6.3 62 166 A G S S+ 0 0 23 -2,-0.3 8,-2.4 7,-0.1 2,-0.5 -0.089 123.5 6.7 48.5-135.4 23.1 26.1 4.4 63 167 A A S S+ 0 0 91 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.605 71.3 168.5 -82.6 121.3 24.5 25.4 1.1 64 168 A H - 0 0 43 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 -0.024 59.6 -82.8-133.0 32.0 24.3 21.6 0.5 65 169 A G S S+ 0 0 86 1,-0.0 -2,-0.1 0, 0.0 4,-0.0 0.555 104.9 87.9 89.9 11.4 25.1 20.9 -3.1 66 170 A D S S- 0 0 13 21,-0.0 -3,-0.0 0, 0.0 -1,-0.0 0.565 94.6-106.6-121.0 -2.9 21.8 21.6 -4.9 67 171 A D S S+ 0 0 160 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.547 100.6 86.8 92.6 6.0 21.6 25.3 -5.9 68 172 A H - 0 0 105 -6,-0.1 -6,-0.0 11,-0.0 11,-0.0 -0.579 66.0-165.5-144.3 65.2 19.0 26.0 -3.2 69 173 A A - 0 0 64 -6,-0.1 -6,-0.3 1,-0.1 -7,-0.1 -0.229 17.2-124.7 -58.4 145.0 20.9 26.8 -0.0 70 174 A F - 0 0 11 -8,-2.4 7,-0.1 23,-0.1 -9,-0.1 -0.240 15.9-132.4 -82.2-175.6 19.0 26.8 3.3 71 175 A D - 0 0 86 1,-0.5 -10,-0.0 5,-0.4 -1,-0.0 0.029 37.6 -94.8-141.4 17.0 19.1 29.9 5.5 72 176 A G S S- 0 0 21 4,-0.1 -1,-0.5 3,-0.1 24,-0.1 -0.228 80.2 -16.3 89.3 176.2 19.8 29.1 9.2 73 177 A K S S+ 0 0 168 23,-0.1 24,-0.1 22,-0.1 3,-0.1 -0.301 121.2 10.5 -55.5 139.0 17.2 28.7 12.0 74 178 A G S S+ 0 0 29 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.238 98.8 63.7 84.8-177.0 13.7 30.0 10.9 75 179 A G S S+ 0 0 67 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.423 104.7 25.9 66.8-132.5 12.7 31.1 7.3 76 180 A I + 0 0 89 1,-0.1 -5,-0.4 -2,-0.1 3,-0.1 -0.496 63.1 179.2 -63.7 127.5 12.9 28.1 4.9 77 181 A L - 0 0 34 1,-0.4 17,-2.6 -2,-0.3 2,-0.3 0.746 61.2 -18.9-100.0 -26.6 12.4 24.9 6.8 78 182 A A E -D 93 0A 11 15,-0.2 -1,-0.4 33,-0.0 2,-0.3 -0.958 54.6-163.2-170.7 161.4 12.5 22.3 4.0 79 183 A H E -D 92 0A 38 13,-1.9 13,-2.9 -2,-0.3 2,-0.3 -0.967 5.5-160.6-152.3 160.9 12.2 21.9 0.2 80 184 A A E -D 91 0A 22 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.985 17.0-122.9-146.0 153.6 11.7 19.1 -2.3 81 185 A F - 0 0 42 9,-2.4 8,-0.3 -2,-0.3 3,-0.1 -0.796 32.5-114.5 -98.2 138.1 12.1 18.4 -6.1 82 186 A G - 0 0 34 -2,-0.4 7,-1.8 1,-0.2 8,-0.2 -0.050 58.6 -56.3 -61.2 171.7 9.3 17.3 -8.3 83 187 A P S S+ 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.219 86.3 100.7 -55.7 138.0 9.3 13.8 -9.8 84 188 A G - 0 0 31 4,-0.3 -3,-0.1 -3,-0.1 -79,-0.0 -0.874 69.3 -69.9 164.9 168.4 12.3 12.8 -11.9 85 189 A S S > S+ 0 0 117 -2,-0.2 3,-1.8 2,-0.1 2,-0.2 -0.255 98.1 13.1 -73.5 170.8 15.5 10.9 -11.9 86 190 A G T 3 S- 0 0 68 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.462 142.2 -2.8 66.4-130.8 18.6 11.9 -9.9 87 191 A I T > S+ 0 0 76 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.629 106.4 119.8 -69.2 -15.9 17.8 14.7 -7.4 88 192 A G T < S+ 0 0 11 -3,-1.8 -4,-0.3 1,-0.3 -6,-0.2 -0.249 79.5 14.5 -45.7 131.6 14.2 14.6 -8.8 89 193 A G T 3 S+ 0 0 0 -7,-1.8 -1,-0.3 -8,-0.3 -7,-0.1 0.246 93.9 140.6 89.0 -13.7 11.8 13.7 -6.1 90 194 A D < - 0 0 17 -3,-2.3 -9,-2.4 -8,-0.2 2,-0.4 -0.303 39.2-150.7 -76.7 151.3 14.3 14.3 -3.2 91 195 A A E -cD 57 80A 1 -35,-2.3 -33,-2.6 -11,-0.2 2,-0.4 -0.981 10.0-167.3-126.4 120.5 13.2 16.0 0.1 92 196 A H E -cD 58 79A 11 -13,-2.9 -13,-1.9 -2,-0.4 2,-0.4 -0.892 5.0-156.8-113.2 132.9 15.6 18.0 2.1 93 197 A F E -cD 59 78A 1 -35,-3.3 -33,-2.1 -2,-0.4 2,-0.7 -0.913 25.5-116.8-113.0 134.2 15.2 19.2 5.7 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-2.4 -2,-0.4 -33,-0.2 -0.512 17.3-158.1 -71.6 107.9 17.0 22.2 7.2 95 199 A E T 3 S+ 0 0 21 -35,-2.4 -1,-0.2 -2,-0.7 -34,-0.2 0.725 86.6 74.2 -62.2 -16.5 19.1 20.9 10.1 96 200 A D T 3 S+ 0 0 58 -36,-0.3 -1,-0.3 -24,-0.1 2,-0.2 0.666 85.0 78.2 -75.9 -11.0 19.2 24.4 11.5 97 201 A E S < S- 0 0 6 -3,-2.4 2,-0.7 -20,-0.2 -24,-0.1 -0.501 91.3-117.5 -80.8 163.2 15.6 23.9 12.7 98 202 A F - 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