==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JAN-10 3LIL . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,L.VERA,F.BEAU . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 52.8 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 . 11 6.9 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 . 34 21.4 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 0 1 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 0 162 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 120.7 0.9 18.5 -15.4 2 106 A G - 0 0 40 119,-0.2 120,-0.0 1,-0.2 121,-0.0 0.030 360.0 -44.6 -78.5-167.7 4.5 18.8 -14.2 3 107 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.271 60.8-179.3 -64.0 147.0 6.9 15.9 -13.8 4 108 A V - 0 0 12 -3,-0.1 2,-0.3 78,-0.1 117,-0.1 -0.950 37.4 -94.0-137.6 159.5 5.7 12.7 -12.2 5 109 A W - 0 0 22 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.610 29.4-148.3 -70.3 132.9 7.2 9.3 -11.3 6 110 A R S S+ 0 0 193 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.154 77.4 58.2-100.5 36.9 6.5 7.0 -14.1 7 111 A K S S- 0 0 78 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.952 72.0-140.4-151.7 158.7 6.4 3.9 -11.8 8 112 A H S S+ 0 0 99 -2,-0.3 36,-2.9 35,-0.1 2,-0.6 0.492 85.7 76.9-102.7 -6.0 4.2 3.2 -8.8 9 113 A Y E +a 44 0A 130 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.941 64.1 177.7-104.3 115.7 6.9 1.5 -6.7 10 114 A I E -a 45 0A 0 34,-3.0 36,-1.6 -2,-0.6 2,-0.3 -0.965 14.6-151.5-126.4 128.3 9.2 4.3 -5.3 11 115 A T E -a 46 0A 9 -2,-0.4 44,-2.6 34,-0.2 43,-0.6 -0.703 10.1-170.2 -97.3 150.9 12.1 3.8 -2.9 12 116 A Y E -ab 47 55A 12 34,-2.1 36,-2.6 -2,-0.3 2,-0.4 -0.967 4.4-162.2-133.3 158.0 13.5 6.2 -0.3 13 117 A R E - b 0 56A 64 42,-2.1 44,-3.2 -2,-0.3 2,-0.9 -0.999 20.2-134.6-138.9 136.8 16.6 6.3 1.8 14 118 A I E - b 0 57A 12 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.836 21.3-170.0 -90.6 103.7 17.4 8.3 4.9 15 119 A N - 0 0 80 42,-2.5 2,-0.3 -2,-0.9 43,-0.2 0.871 65.4 -11.7 -61.0 -42.9 20.9 9.6 4.1 16 120 A N - 0 0 50 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.962 67.8-117.2-158.4 163.2 21.5 10.8 7.6 17 121 A Y - 0 0 44 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.924 21.8-122.0-117.4 133.8 19.7 11.6 10.9 18 122 A T > - 0 0 4 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.449 16.8-139.0 -62.1 138.1 19.2 14.8 12.8 19 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.541 92.6 82.5 -74.1 -4.9 20.7 14.6 16.3 20 124 A D T 3 S+ 0 0 43 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.762 96.6 34.5 -70.4 -27.2 17.5 16.5 17.5 21 125 A M S < S- 0 0 18 -3,-0.8 2,-0.1 79,-0.1 79,-0.1 -0.844 93.6 -92.6-126.8 159.2 15.4 13.3 17.6 22 126 A N > - 0 0 108 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.440 41.0-118.2 -65.3 147.9 15.9 9.7 18.4 23 127 A R H > S+ 0 0 142 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.871 113.9 53.1 -60.6 -41.3 16.7 7.6 15.3 24 128 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.822 106.4 54.2 -65.4 -30.8 13.6 5.5 15.6 25 129 A D H > S+ 0 0 58 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.854 107.3 50.1 -72.3 -36.0 11.4 8.7 15.8 26 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.955 111.5 48.7 -63.9 -48.4 13.0 9.9 12.5 27 131 A D H X S+ 0 0 43 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.920 113.3 47.8 -54.6 -46.5 12.2 6.6 10.8 28 132 A Y H X S+ 0 0 110 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.914 111.0 48.7 -65.9 -44.4 8.7 6.6 12.1 29 133 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.910 115.1 45.2 -63.3 -42.9 7.9 10.3 11.1 30 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.932 113.3 49.8 -68.1 -45.7 9.2 9.7 7.6 31 135 A R H X S+ 0 0 122 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.941 112.7 46.9 -56.1 -48.3 7.4 6.3 7.2 32 136 A K H X S+ 0 0 50 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.832 108.6 56.0 -65.5 -33.4 4.1 7.9 8.4 33 137 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.894 109.1 46.0 -65.1 -39.9 4.6 10.9 6.0 34 138 A F H >X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.905 107.9 58.2 -67.3 -36.8 5.0 8.5 3.0 35 139 A Q H 3X S+ 0 0 62 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.828 95.8 63.8 -62.9 -32.0 1.9 6.6 4.2 36 140 A V H 3< S+ 0 0 20 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.925 111.0 37.1 -57.5 -44.4 -0.2 9.8 4.0 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.5 4,-0.3 0.874 114.1 53.1 -79.4 -39.0 0.4 9.9 0.3 38 142 A S H >< S+ 0 0 36 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.823 97.9 69.3 -65.0 -27.3 0.2 6.2 -0.4 39 143 A N T 3< S+ 0 0 116 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.719 110.4 31.7 -59.2 -21.9 -3.2 6.1 1.4 40 144 A V T < S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.269 119.7 45.5-124.3 13.2 -4.7 8.1 -1.4 41 145 A T S < S- 0 0 20 -3,-0.9 118,-0.1 -4,-0.3 114,-0.1 -0.869 85.7-104.2-142.8 173.9 -2.8 6.9 -4.5 42 146 A P S S+ 0 0 52 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.414 80.9 121.3 -81.5 6.3 -1.6 3.7 -6.2 43 147 A L - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.412 44.5-164.6 -77.2 144.0 1.9 4.6 -5.0 44 148 A K E -a 9 0A 151 -36,-2.9 -34,-3.0 -2,-0.1 2,-0.4 -0.975 3.3-159.7-124.9 143.0 4.0 2.3 -2.8 45 149 A F E -a 10 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.981 7.0-175.1-126.7 129.4 7.1 3.4 -0.9 46 150 A S E -a 11 0A 47 -36,-1.6 -34,-2.1 -2,-0.4 2,-0.4 -0.988 22.1-129.9-126.4 135.8 9.9 1.2 0.5 47 151 A K E +a 12 0A 78 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.687 29.7 176.7 -82.9 129.0 12.9 2.2 2.6 48 152 A I - 0 0 43 -36,-2.6 -34,-0.4 -2,-0.4 3,-0.1 -0.864 28.3-143.3-127.7 165.2 16.3 1.0 1.5 49 153 A N S S- 0 0 117 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.478 78.6 -3.1-111.9 -5.8 19.8 1.7 2.9 50 154 A T S S+ 0 0 111 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.933 96.1 52.6-161.9-178.7 21.8 1.9 -0.3 51 155 A G S S- 0 0 59 -2,-0.3 2,-1.8 1,-0.1 -3,-0.0 -0.496 103.6 -2.4 90.3-150.6 21.4 1.4 -4.0 52 156 A M S S+ 0 0 121 -2,-0.2 2,-0.5 -40,-0.0 -41,-0.2 -0.578 70.6 170.9 -86.2 77.3 18.9 3.1 -6.3 53 157 A A - 0 0 23 -2,-1.8 3,-0.2 1,-0.2 -41,-0.2 -0.790 20.5-160.5 -86.2 128.3 16.9 5.1 -3.9 54 158 A D S S+ 0 0 15 -43,-0.6 2,-0.7 -2,-0.5 -42,-0.2 0.955 80.4 38.9 -71.9 -50.1 14.5 7.4 -5.7 55 159 A I E S-b 12 0A 0 -44,-2.6 -42,-2.1 35,-0.1 2,-0.5 -0.886 73.4-163.3-110.8 109.3 13.9 9.8 -2.8 56 160 A L E -b 13 0A 33 -2,-0.7 35,-2.7 32,-0.2 2,-0.5 -0.805 8.1-150.7 -91.6 127.9 16.9 10.6 -0.7 57 161 A V E +bc 14 91A 3 -44,-3.2 -42,-2.5 -2,-0.5 -41,-0.7 -0.882 23.4 178.6-101.0 124.8 16.1 12.2 2.7 58 162 A V E - c 0 92A 17 33,-2.7 35,-3.1 -2,-0.5 2,-0.5 -0.979 26.3-155.8-134.3 136.4 18.9 14.5 3.9 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.958 37.5 144.7-107.1 127.6 19.5 16.7 6.9 60 164 A A E - c 0 94A 22 33,-2.4 35,-2.8 -2,-0.5 36,-0.4 -0.958 36.3-123.8-155.1 169.6 22.0 19.5 6.1 61 165 A R - 0 0 136 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.888 57.7 -33.5-127.2 151.2 22.8 23.1 6.9 62 166 A G S S+ 0 0 21 -2,-0.3 8,-2.4 7,-0.1 2,-0.6 -0.062 123.2 11.3 50.0-134.7 23.4 26.4 5.0 63 167 A A S S+ 0 0 92 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.702 74.5 167.2 -75.2 117.8 25.0 25.8 1.6 64 168 A H - 0 0 42 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 -0.059 61.3 -72.9-135.0 31.2 24.8 22.0 1.1 65 169 A G S S+ 0 0 84 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.450 104.5 73.1 102.2 2.0 25.7 21.2 -2.5 66 170 A D S S- 0 0 27 21,-0.0 -1,-0.4 2,-0.0 -2,-0.2 -0.679 92.2 -94.4-130.4-170.7 22.7 22.3 -4.5 67 171 A D S S+ 0 0 161 -2,-0.2 2,-0.1 1,-0.2 -4,-0.0 0.140 104.9 79.1 -98.0 27.4 21.3 25.7 -5.5 68 172 A H - 0 0 96 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.528 66.9-172.5-131.4 63.9 18.9 25.9 -2.6 69 173 A A - 0 0 54 -3,-0.2 -6,-0.3 -2,-0.1 -7,-0.1 -0.227 20.8-121.1 -60.7 144.8 21.0 27.0 0.3 70 174 A F - 0 0 16 -8,-2.4 -1,-0.1 23,-0.1 3,-0.1 -0.291 9.2-140.0 -82.3 174.1 19.4 27.1 3.8 71 175 A D - 0 0 80 1,-0.5 -1,-0.1 5,-0.3 -10,-0.0 -0.008 40.7-103.6-131.5 25.3 19.1 30.2 6.0 72 176 A G S S- 0 0 19 3,-0.0 -1,-0.5 25,-0.0 24,-0.1 -0.192 79.5 -7.8 72.8-172.1 19.8 29.1 9.6 73 177 A K S S+ 0 0 144 23,-0.1 24,-0.1 -3,-0.1 2,-0.1 -0.289 120.8 9.6 -61.2 133.9 17.1 28.7 12.2 74 178 A G S S+ 0 0 30 1,-0.2 -3,-0.3 2,-0.1 22,-0.1 -0.411 98.5 61.4 93.7-172.2 13.7 29.9 11.0 75 179 A G S S+ 0 0 69 -2,-0.1 2,-0.2 -5,-0.1 -1,-0.2 -0.305 103.9 31.0 57.3-127.9 12.7 30.9 7.5 76 180 A I - 0 0 78 1,-0.2 -5,-0.3 -3,-0.1 3,-0.1 -0.438 62.8-178.2 -63.3 127.6 13.1 28.0 5.1 77 181 A L - 0 0 35 1,-0.4 17,-2.5 -2,-0.2 2,-0.3 0.785 62.0 -27.2 -97.1 -31.8 12.5 24.7 6.9 78 182 A A E -D 93 0A 10 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.955 54.4-156.5-168.2 167.2 13.1 22.3 4.1 79 183 A H E -D 92 0A 23 13,-2.4 13,-3.2 -2,-0.3 2,-0.3 -0.979 7.0-162.7-156.0 161.4 12.9 21.9 0.3 80 184 A A E -D 91 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 17.5-122.3-148.2 150.9 12.6 19.1 -2.2 81 185 A F - 0 0 40 9,-2.3 3,-0.1 6,-0.3 8,-0.1 -0.699 31.7-116.0 -93.8 144.6 13.1 18.4 -5.9 82 186 A G - 0 0 32 -2,-0.3 7,-1.6 1,-0.2 8,-0.2 -0.161 57.9 -54.0 -69.6 171.3 10.3 17.2 -8.2 83 187 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.134 86.6 104.2 -52.7 137.9 10.4 13.7 -9.8 84 188 A G - 0 0 35 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.912 69.0 -69.7 164.9 171.7 13.5 13.0 -11.9 85 189 A S S > S+ 0 0 115 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.347 97.3 2.6 -81.8 166.2 16.8 11.1 -11.7 86 190 A G T 3 S+ 0 0 66 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.365 142.7 8.0 64.0-122.5 19.7 11.9 -9.4 87 191 A I T > S+ 0 0 75 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.748 104.7 115.2 -66.5 -19.0 18.8 14.8 -7.2 88 192 A G T < S+ 0 0 8 -3,-2.2 -32,-0.2 1,-0.3 -4,-0.2 -0.167 82.4 12.9 -48.2 138.0 15.2 14.6 -8.5 89 193 A G T 3 S+ 0 0 0 -7,-1.6 -1,-0.3 1,-0.2 30,-0.1 0.255 92.4 139.9 81.0 -14.2 12.8 13.7 -5.8 90 194 A D < - 0 0 16 -3,-2.3 -9,-2.3 -8,-0.2 2,-0.5 -0.351 40.7-149.4 -73.0 146.5 15.3 14.3 -3.0 91 195 A A E -cD 57 80A 1 -35,-2.7 -33,-2.7 -11,-0.2 2,-0.4 -0.965 9.9-164.8-121.7 121.2 14.0 16.0 0.2 92 196 A H E -cD 58 79A 13 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.4 -0.900 2.3-159.9-113.2 134.2 16.3 18.2 2.3 93 197 A F E -cD 59 78A 2 -35,-3.1 -33,-2.4 -2,-0.4 2,-0.7 -0.929 25.4-117.2-117.4 134.6 15.7 19.4 5.8 94 198 A D E > -c 60 0A 0 -17,-2.5 3,-2.0 -2,-0.4 -33,-0.2 -0.551 17.7-158.4 -74.8 109.8 17.4 22.4 7.4 95 199 A E T 3 S+ 0 0 16 -35,-2.8 -1,-0.2 -2,-0.7 -34,-0.2 0.697 86.5 74.4 -63.9 -15.8 19.4 21.0 10.3 96 200 A D T 3 S+ 0 0 51 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.618 84.8 82.1 -74.4 -7.0 19.4 24.5 11.9 97 201 A E S < S- 0 0 6 -3,-2.0 2,-0.8 -20,-0.2 -77,-0.1 -0.511 90.3-118.3 -82.0 162.9 15.8 23.9 12.7 98 202 A F - 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