==== 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 3LIK . 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) . 8176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.2 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 . 13 8.2 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 0 181 0, 0.0 3,-0.1 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 130.0 1.0 19.1 -14.4 2 106 A G - 0 0 34 119,-0.4 120,-0.1 1,-0.2 121,-0.0 -0.133 360.0 -63.8 -79.1-179.3 4.5 18.7 -12.9 3 107 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.324 53.5-161.4 -65.0 151.5 6.7 15.6 -13.3 4 108 A V - 0 0 40 78,-0.1 2,-0.2 -3,-0.1 117,-0.1 -0.941 26.6-102.3-128.8 154.9 5.4 12.3 -11.9 5 109 A W - 0 0 23 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.577 26.5-142.8 -66.9 139.1 7.1 9.1 -10.9 6 110 A R S S+ 0 0 243 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.126 80.2 53.2 -97.0 34.5 6.4 6.6 -13.7 7 111 A K S S- 0 0 93 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.956 71.8-137.8-159.7 160.5 6.1 3.7 -11.2 8 112 A H S S+ 0 0 87 -2,-0.3 36,-3.2 35,-0.1 2,-0.6 0.447 85.7 79.3-107.1 -5.2 4.0 3.1 -8.1 9 113 A Y E +a 44 0A 126 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.928 62.8 178.0-106.0 114.6 6.8 1.5 -6.1 10 114 A I E -a 45 0A 0 34,-3.2 36,-2.0 -2,-0.6 2,-0.3 -0.957 13.8-153.6-126.0 128.2 9.0 4.2 -4.7 11 115 A T E -a 46 0A 9 -2,-0.4 44,-2.8 34,-0.2 43,-0.6 -0.715 9.1-169.7 -99.7 149.5 12.0 3.8 -2.4 12 116 A Y E -ab 47 55A 10 34,-2.3 36,-3.0 -2,-0.3 2,-0.4 -0.958 4.8-164.6-131.5 159.1 13.4 6.3 0.1 13 117 A R E - b 0 56A 75 42,-1.9 44,-3.1 -2,-0.3 2,-1.0 -0.996 21.4-133.7-140.9 136.7 16.6 6.4 2.1 14 118 A I E - b 0 57A 11 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.827 20.2-167.6 -90.7 103.6 17.4 8.6 5.0 15 119 A N - 0 0 72 42,-2.4 2,-0.3 -2,-1.0 43,-0.2 0.847 65.9 -11.3 -60.1 -40.7 20.8 9.9 4.1 16 120 A N - 0 0 50 41,-0.8 2,-0.4 -3,-0.1 -1,-0.2 -0.973 67.8-116.5-158.2 165.3 21.5 11.3 7.6 17 121 A Y - 0 0 42 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.889 22.6-121.7-115.6 137.3 19.8 12.0 10.8 18 122 A T > - 0 0 3 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.565 16.5-138.6 -68.1 136.9 19.3 15.4 12.6 19 123 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.616 94.0 82.3 -70.2 -12.0 20.9 15.3 16.1 20 124 A D T 3 S+ 0 0 42 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.752 99.5 27.6 -61.1 -30.0 17.7 17.2 17.2 21 125 A M S < S- 0 0 21 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.856 92.4 -95.0-130.7 162.7 15.7 14.0 17.5 22 126 A N >> - 0 0 80 -2,-0.3 4,-1.7 1,-0.1 3,-1.3 -0.609 40.1-114.1 -80.2 146.6 16.5 10.4 18.2 23 127 A R H 3> S+ 0 0 142 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.825 114.8 55.9 -49.0 -42.4 16.9 8.2 15.1 24 128 A E H 3> S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.864 107.0 50.3 -60.0 -36.2 13.8 6.1 15.8 25 129 A D H <> S+ 0 0 59 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.870 110.0 49.5 -72.3 -37.5 11.6 9.3 15.9 26 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.933 111.1 50.3 -62.1 -48.3 13.0 10.5 12.6 27 131 A D H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 113.6 46.5 -54.4 -43.4 12.3 7.1 11.1 28 132 A Y H X S+ 0 0 121 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.910 110.4 50.4 -70.1 -44.5 8.8 7.3 12.4 29 133 A A H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.937 115.4 43.8 -59.4 -47.0 8.1 10.8 11.3 30 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.921 113.1 50.3 -67.6 -45.2 9.2 10.0 7.8 31 135 A R H X S+ 0 0 118 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.944 113.2 46.5 -58.3 -47.5 7.4 6.7 7.6 32 136 A K H X S+ 0 0 65 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.861 109.2 55.2 -62.4 -37.5 4.2 8.3 8.7 33 137 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.923 109.3 46.2 -63.6 -44.3 4.6 11.2 6.3 34 138 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.889 108.8 57.5 -62.1 -37.7 4.9 8.8 3.4 35 139 A Q H X S+ 0 0 72 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.873 96.7 62.4 -63.6 -38.1 1.9 6.9 4.7 36 140 A V H < S+ 0 0 23 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.927 111.9 37.6 -48.1 -47.1 -0.2 10.0 4.6 37 141 A W H >< S+ 0 0 0 -4,-1.1 3,-1.2 -3,-0.4 6,-0.2 0.867 112.9 54.0 -80.6 -36.2 0.3 10.1 0.8 38 142 A S H >< S+ 0 0 33 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.816 96.8 70.1 -68.8 -25.5 0.1 6.3 0.1 39 143 A N T 3< S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.730 109.0 33.2 -60.3 -21.0 -3.2 6.2 1.9 40 144 A V T < S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.220 119.5 46.9-123.0 15.0 -4.8 8.1 -1.0 41 145 A T S < S- 0 0 23 -3,-1.1 118,-0.1 2,-0.2 114,-0.1 -0.886 85.0-106.0-144.5 171.7 -2.9 6.9 -4.0 42 146 A P S S+ 0 0 44 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.450 81.3 121.1 -77.5 -1.1 -1.6 3.6 -5.6 43 147 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.383 44.6-166.4 -72.3 139.7 1.9 4.6 -4.4 44 148 A K E -a 9 0A 155 -36,-3.2 -34,-3.2 -2,-0.1 2,-0.5 -0.983 5.2-155.8-122.3 138.5 3.9 2.4 -2.1 45 149 A F E -a 10 0A 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.950 9.1-175.4-118.9 130.5 7.0 3.5 -0.3 46 150 A S E -a 11 0A 48 -36,-2.0 -34,-2.3 -2,-0.5 2,-0.4 -0.981 20.8-132.9-125.2 135.3 9.8 1.3 1.0 47 151 A K E +a 12 0A 75 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.692 28.1 175.9 -84.2 129.3 12.8 2.5 3.1 48 152 A I - 0 0 45 -36,-3.0 -34,-0.4 -2,-0.4 3,-0.1 -0.860 29.7-141.8-125.4 167.9 16.3 1.2 2.0 49 153 A N S S- 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.466 79.6 -2.4-109.0 -5.5 19.8 2.1 3.3 50 154 A T S S+ 0 0 105 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.959 93.8 52.5-164.8 177.4 21.6 2.2 0.0 51 155 A G S S- 0 0 45 -2,-0.3 2,-1.9 1,-0.1 -3,-0.0 -0.549 103.5 -4.1 92.6-149.9 21.3 1.7 -3.7 52 156 A M S S+ 0 0 167 -2,-0.2 2,-0.4 -40,-0.0 -41,-0.2 -0.470 72.4 170.8 -85.6 67.6 18.8 3.2 -6.1 53 157 A A - 0 0 25 -2,-1.9 3,-0.2 1,-0.2 -41,-0.2 -0.669 21.8-157.8 -74.8 130.8 16.7 5.1 -3.5 54 158 A D S S+ 0 0 23 -43,-0.6 2,-0.8 -2,-0.4 -42,-0.2 0.943 80.5 39.9 -74.3 -51.3 14.3 7.4 -5.3 55 159 A I E S-b 12 0A 0 -44,-2.8 -42,-1.9 35,-0.1 2,-0.5 -0.866 73.3-164.3-107.9 106.2 13.7 9.9 -2.5 56 160 A L E -b 13 0A 38 -2,-0.8 35,-2.6 32,-0.2 2,-0.5 -0.777 8.4-150.9 -88.4 127.4 16.7 10.8 -0.5 57 161 A V E +bc 14 91A 2 -44,-3.1 -42,-2.4 -2,-0.5 -41,-0.8 -0.882 23.3 178.0 -98.9 124.2 16.0 12.4 2.8 58 162 A V E - c 0 92A 20 33,-2.8 35,-3.0 -2,-0.5 2,-0.5 -0.980 26.0-156.3-133.5 136.5 18.7 14.8 3.8 59 163 A F E + c 0 93A 5 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.968 37.7 142.5-107.0 126.1 19.4 17.2 6.7 60 164 A A E - c 0 94A 20 33,-2.3 35,-2.7 -2,-0.5 36,-0.4 -0.954 36.2-127.5-153.9 169.4 21.9 19.9 5.8 61 165 A R - 0 0 149 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.862 57.5 -26.1-126.6 159.7 22.6 23.6 6.4 62 166 A G S S+ 0 0 21 -2,-0.3 8,-2.6 7,-0.1 2,-0.7 -0.044 123.8 8.1 47.2-134.8 23.3 26.7 4.3 63 167 A A S S+ 0 0 91 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.711 74.5 168.9 -78.2 114.8 24.8 26.0 1.0 64 168 A H - 0 0 42 -2,-0.7 -1,-0.1 2,-0.3 3,-0.1 -0.061 61.8 -72.4-130.3 33.0 24.6 22.2 0.8 65 169 A G S S+ 0 0 82 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.468 105.8 79.0 98.9 1.4 25.4 21.2 -2.8 66 170 A D S S- 0 0 23 2,-0.0 -1,-0.4 21,-0.0 -2,-0.3 -0.789 91.7 -99.1-127.8 177.3 22.4 22.3 -4.8 67 171 A D S S+ 0 0 160 -2,-0.3 2,-0.2 1,-0.2 -4,-0.0 0.170 104.7 78.9 -87.1 26.3 21.3 25.7 -6.1 68 172 A H - 0 0 100 -6,-0.1 -1,-0.2 11,-0.0 -4,-0.0 -0.598 67.6-169.1-132.5 71.5 18.9 26.2 -3.2 69 173 A A - 0 0 53 -2,-0.2 -6,-0.3 -3,-0.1 -7,-0.1 -0.205 19.6-120.5 -62.5 150.4 20.9 27.2 -0.1 70 174 A F - 0 0 15 -8,-2.6 -1,-0.1 23,-0.1 3,-0.1 -0.317 11.2-137.7 -85.4 174.6 19.3 27.3 3.3 71 175 A D - 0 0 77 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 0.023 38.9-106.2-129.7 26.2 19.0 30.4 5.4 72 176 A G S S- 0 0 19 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.284 79.7 -5.0 74.5-166.1 19.8 29.5 9.0 73 177 A K S S+ 0 0 155 -3,-0.1 24,-0.2 23,-0.1 2,-0.1 -0.344 120.3 5.8 -65.3 137.5 17.1 29.3 11.7 74 178 A G S S+ 0 0 30 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.340 99.0 62.8 88.3-171.3 13.6 30.3 10.5 75 179 A G S S+ 0 0 67 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.338 103.3 31.7 59.4-126.7 12.5 31.2 7.0 76 180 A I - 0 0 75 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.485 63.3-179.2 -65.1 122.9 12.9 28.3 4.7 77 181 A L - 0 0 34 1,-0.4 17,-2.5 -2,-0.3 2,-0.3 0.780 61.3 -30.3 -92.5 -29.4 12.4 25.1 6.6 78 182 A A E -D 93 0A 10 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.966 53.3-154.7-176.1 163.0 13.0 22.5 3.9 79 183 A H E -D 92 0A 31 13,-2.4 13,-3.3 -2,-0.3 2,-0.3 -0.981 6.3-160.4-152.9 161.2 12.7 22.0 0.2 80 184 A A E -D 91 0A 19 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.990 16.6-124.6-144.6 152.4 12.3 19.1 -2.2 81 185 A F - 0 0 38 9,-2.5 8,-0.2 6,-0.3 3,-0.1 -0.743 31.7-113.9 -95.3 143.4 12.8 18.3 -5.9 82 186 A G - 0 0 30 -2,-0.3 7,-1.5 1,-0.2 8,-0.2 -0.189 57.8 -57.3 -65.5 166.9 10.0 16.9 -8.1 83 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.097 86.7 104.3 -47.8 141.5 10.2 13.4 -9.5 84 188 A G - 0 0 36 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.887 69.2 -64.2 161.1 174.4 13.3 12.7 -11.6 85 189 A S S > S- 0 0 117 -2,-0.3 3,-2.5 2,-0.1 2,-0.2 -0.300 98.0 -1.8 -80.7 167.2 16.6 10.9 -11.5 86 190 A G T 3 S+ 0 0 68 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.316 143.3 9.4 57.7-114.3 19.5 11.8 -9.1 87 191 A I T > S+ 0 0 74 -2,-0.2 3,-2.1 2,-0.1 -6,-0.3 0.692 104.3 112.1 -73.9 -16.8 18.5 14.8 -7.1 88 192 A G T < S+ 0 0 9 -3,-2.5 -4,-0.2 1,-0.3 -32,-0.2 -0.288 84.2 16.2 -51.9 137.6 14.9 14.5 -8.4 89 193 A G T 3 S+ 0 0 0 -7,-1.5 -1,-0.3 1,-0.2 30,-0.1 0.205 93.1 138.5 83.5 -17.6 12.6 13.5 -5.6 90 194 A D < - 0 0 14 -3,-2.1 -9,-2.5 -8,-0.2 2,-0.5 -0.344 40.5-151.9 -72.5 144.2 15.1 14.4 -2.9 91 195 A A E -cD 57 80A 1 -35,-2.6 -33,-2.8 -11,-0.2 2,-0.4 -0.966 9.1-165.6-120.2 121.2 13.8 16.2 0.3 92 196 A H E -cD 58 79A 13 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.4 -0.902 3.0-159.7-113.4 133.8 16.2 18.4 2.2 93 197 A F E -cD 59 78A 1 -35,-3.0 -33,-2.3 -2,-0.4 2,-0.7 -0.938 26.6-116.0-114.8 131.4 15.5 19.7 5.7 94 198 A D E > -c 60 0A 0 -17,-2.5 3,-2.2 -2,-0.4 -33,-0.2 -0.537 17.9-157.5 -67.9 108.6 17.3 22.7 7.1 95 199 A E T 3 S+ 0 0 20 -35,-2.7 -34,-0.2 -2,-0.7 -1,-0.2 0.705 87.8 74.6 -61.5 -18.0 19.4 21.5 10.0 96 200 A D T 3 S+ 0 0 61 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.629 84.0 81.8 -73.1 -7.7 19.3 25.0 11.3 97 201 A E S < S- 0 0 6 -3,-2.2 2,-0.9 -20,-0.2 -77,-0.1 -0.583 91.1-117.3 -82.5 158.4 15.7 24.4 12.4 98 202 A F - 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