==== 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 17-SEP-12 4H49 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANTONI,E.A.STURA,L.VERA,E.NUTI,L.CARAFA,E.CASSAR-LAJEUNESS . 633 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.7 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 . 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 . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 2 1 4 0 0 0 4 0 0 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 1 105 A M 0 0 170 0, 0.0 3,-0.1 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 163.1 16.0 -9.2 8.9 2 106 A G - 0 0 57 1,-0.4 2,-0.1 119,-0.3 120,-0.0 0.197 360.0 -28.9 -91.3-136.0 13.6 -6.3 9.1 3 107 A P - 0 0 78 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.473 61.6-179.8 -79.9 155.2 15.1 -2.8 9.5 4 108 A V - 0 0 38 -2,-0.1 2,-0.3 -3,-0.1 117,-0.1 -0.940 40.4 -89.2-138.9 164.7 18.4 -2.0 11.2 5 109 A W - 0 0 20 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.638 30.1-150.5 -72.1 131.5 20.3 1.2 11.8 6 110 A R S S+ 0 0 253 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.340 76.9 58.7 -88.1 7.3 22.6 1.8 8.8 7 111 A K - 0 0 89 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.857 69.6-143.4-130.9 166.7 25.1 3.6 11.0 8 112 A H S S+ 0 0 87 -2,-0.3 36,-3.0 1,-0.1 2,-0.8 0.639 83.3 74.8-108.3 -19.2 27.2 2.6 14.1 9 113 A Y E +a 44 0A 181 34,-0.2 2,-0.5 36,-0.1 36,-0.2 -0.844 65.2 177.8 -99.3 105.5 27.1 5.8 16.0 10 114 A I E -a 45 0A 2 34,-2.8 36,-2.0 -2,-0.8 2,-0.3 -0.911 14.3-151.7-118.0 128.1 23.7 6.1 17.6 11 115 A T E -a 46 0A 35 -2,-0.5 44,-2.0 34,-0.2 43,-0.5 -0.699 9.1-169.2 -97.1 148.9 22.5 8.9 19.8 12 116 A Y E -ab 47 55A 11 34,-2.2 36,-2.7 -2,-0.3 2,-0.4 -0.960 4.2-162.3-128.2 157.1 19.8 8.8 22.5 13 117 A R E - b 0 56A 72 42,-2.0 44,-3.1 -2,-0.3 2,-1.0 -0.999 21.1-133.1-133.4 134.5 18.1 11.5 24.6 14 118 A I E - b 0 57A 13 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.765 21.9-167.7 -84.0 105.4 16.1 11.1 27.8 15 119 A N - 0 0 88 42,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.909 64.0 -14.6 -58.6 -48.0 13.0 13.2 27.0 16 120 A N - 0 0 53 41,-0.7 2,-0.3 -3,-0.1 -1,-0.2 -0.949 69.4-113.1-156.1 164.2 11.6 13.3 30.5 17 121 A Y - 0 0 45 -2,-0.3 6,-0.1 -3,-0.1 5,-0.0 -0.786 19.9-121.8-112.1 148.1 12.1 11.6 33.9 18 122 A T > - 0 0 4 -2,-0.3 3,-0.9 1,-0.1 8,-0.1 -0.661 13.8-142.0 -80.5 139.6 10.0 9.3 36.1 19 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.617 92.2 80.9 -75.1 -6.3 9.3 10.7 39.5 20 124 A D T 3 S+ 0 0 43 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.712 99.6 30.7 -69.5 -20.0 9.6 7.1 40.8 21 125 A M S < S- 0 0 21 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.908 92.4 -89.9-135.8 159.5 13.4 7.3 40.8 22 126 A N > - 0 0 103 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.401 39.1-120.4 -62.5 147.6 16.2 9.8 41.3 23 127 A R H > S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 115.1 53.0 -60.4 -39.1 17.3 11.5 38.1 24 128 A E H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 108.0 51.5 -63.8 -39.7 20.9 10.1 38.5 25 129 A D H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 109.5 49.6 -64.8 -37.4 19.4 6.6 38.9 26 130 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.941 110.6 49.1 -68.6 -45.9 17.4 7.0 35.7 27 131 A D H X S+ 0 0 48 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.927 113.6 48.2 -54.7 -45.7 20.5 8.2 33.8 28 132 A Y H X S+ 0 0 124 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.904 109.9 49.3 -66.0 -46.0 22.5 5.3 35.1 29 133 A A H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 114.7 46.0 -61.3 -42.2 19.9 2.6 34.4 30 134 A I H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 112.3 50.0 -68.1 -44.0 19.6 3.9 30.8 31 135 A R H X S+ 0 0 122 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.927 111.8 47.8 -60.3 -44.8 23.3 4.2 30.3 32 136 A K H X S+ 0 0 43 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.857 107.5 57.4 -63.3 -36.3 24.0 0.6 31.5 33 137 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.896 108.2 45.1 -65.0 -40.9 21.1 -0.7 29.3 34 138 A F H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.862 108.4 59.1 -66.1 -34.6 22.8 0.7 26.2 35 139 A Q H X S+ 0 0 69 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.844 95.8 62.5 -65.0 -33.3 26.1 -0.7 27.4 36 140 A V H < S+ 0 0 22 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.899 112.4 36.7 -55.4 -41.4 24.6 -4.2 27.4 37 141 A W H >< S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.4 4,-0.4 0.847 113.0 54.1 -87.3 -36.0 24.1 -3.9 23.7 38 142 A S H >< S+ 0 0 35 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.794 100.0 66.9 -66.9 -24.5 27.2 -2.0 22.7 39 143 A N T 3< S+ 0 0 113 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.718 110.0 32.9 -65.1 -23.4 29.2 -4.7 24.5 40 144 A V T < S+ 0 0 34 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.308 119.5 47.4-118.2 8.4 28.3 -7.3 21.9 41 145 A T S < S- 0 0 19 -3,-0.6 118,-0.1 -4,-0.4 114,-0.1 -0.866 86.0-105.2-139.4 171.1 28.0 -5.2 18.8 42 146 A P S S+ 0 0 45 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.519 81.4 121.3 -72.7 -2.2 29.9 -2.6 16.8 43 147 A L - 0 0 0 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.332 46.3-163.3 -73.0 140.3 27.4 -0.0 18.0 44 148 A K E -a 9 0A 107 -36,-3.0 -34,-2.8 -2,-0.1 2,-0.4 -0.966 7.6-157.5-115.7 137.4 28.4 3.0 20.0 45 149 A F E -a 10 0A 34 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.949 8.5-172.0-120.1 136.4 25.6 4.9 22.0 46 150 A S E -a 11 0A 60 -36,-2.0 -34,-2.2 -2,-0.4 2,-0.4 -0.988 20.2-129.7-136.2 128.5 26.0 8.5 23.0 47 151 A K E -a 12 0A 72 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.601 24.2-167.8 -81.8 132.3 23.7 10.6 25.2 48 152 A I - 0 0 47 -36,-2.7 -34,-0.4 -2,-0.4 5,-0.1 -0.911 17.8-171.4-122.3 139.9 22.6 13.9 23.8 49 153 A N S S+ 0 0 117 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.395 74.7 32.9-111.0 -2.3 20.9 16.7 25.8 50 154 A T S S+ 0 0 117 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.983 99.6 26.9-151.8 155.4 20.0 19.0 22.9 51 155 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.306 100.8 -47.3 81.3-172.1 19.0 18.5 19.3 52 156 A M - 0 0 134 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.879 53.3-156.7-108.4 121.2 17.3 15.4 18.1 53 157 A A - 0 0 9 -2,-0.6 3,-0.2 -5,-0.1 -41,-0.2 -0.482 24.2-123.7 -85.9 158.7 18.6 12.0 19.0 54 158 A D S S+ 0 0 35 -43,-0.5 2,-0.6 1,-0.2 -42,-0.2 0.847 103.7 39.5 -64.3 -40.4 18.0 8.8 17.0 55 159 A I E S-b 12 0A 1 -44,-2.0 -42,-2.0 34,-0.1 2,-0.4 -0.946 74.5-164.3-121.2 109.0 16.5 7.1 20.1 56 160 A L E -b 13 0A 27 -2,-0.6 35,-2.5 -44,-0.2 2,-0.6 -0.799 9.4-148.8 -94.4 131.5 14.2 9.1 22.3 57 161 A V E -bc 14 91A 3 -44,-3.1 -42,-2.4 -2,-0.4 -41,-0.7 -0.918 24.3-178.6-101.6 120.4 13.5 7.7 25.8 58 162 A V E - c 0 92A 20 33,-2.9 35,-3.0 -2,-0.6 2,-0.5 -0.963 25.7-154.4-126.9 133.8 10.0 8.8 27.0 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.920 38.0 145.8 -97.9 127.0 7.9 8.2 30.2 60 164 A A E - c 0 94A 18 33,-2.5 35,-3.2 -2,-0.5 36,-0.4 -0.970 33.1-142.5-152.2 164.2 4.1 8.5 29.5 61 165 A R - 0 0 144 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.934 59.1 -18.7-131.3 158.9 0.8 7.1 30.5 62 166 A G S S+ 0 0 23 -2,-0.3 8,-3.0 7,-0.1 2,-0.6 -0.133 123.4 5.8 53.0-140.4 -2.4 6.1 28.7 63 167 A A S S+ 0 0 94 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.656 70.4 166.5 -73.4 115.6 -2.9 7.7 25.2 64 168 A H - 0 0 45 -2,-0.6 -1,-0.1 -4,-0.1 -2,-0.1 0.067 61.6 -79.9-130.0 23.9 0.4 9.4 24.6 65 169 A G S S+ 0 0 81 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.565 105.1 83.3 103.2 12.2 0.2 10.2 20.9 66 170 A D S S- 0 0 20 21,-0.0 -3,-0.0 2,-0.0 21,-0.0 0.122 95.3-102.9-139.3 24.8 1.2 7.1 19.0 67 171 A D S S+ 0 0 161 1,-0.1 2,-0.2 0, 0.0 -4,-0.1 0.586 102.1 90.2 67.8 7.3 -1.8 4.7 18.5 68 172 A H - 0 0 104 -6,-0.1 -1,-0.1 11,-0.0 -4,-0.1 -0.627 64.6-166.8-133.4 78.2 -0.4 2.4 21.3 69 173 A A - 0 0 58 -2,-0.2 -6,-0.3 -6,-0.1 -7,-0.1 -0.320 18.5-121.6 -69.0 142.9 -2.0 3.6 24.5 70 174 A F - 0 0 12 -8,-3.0 -1,-0.1 1,-0.1 3,-0.1 -0.276 16.9-134.1 -77.7 173.8 -0.6 2.4 27.8 71 175 A D - 0 0 51 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 0.091 35.9-101.6-127.6 24.8 -2.9 0.6 30.3 72 176 A G S S- 0 0 21 3,-0.0 -1,-0.4 4,-0.0 24,-0.1 -0.286 81.1 -9.6 79.4-174.9 -2.6 1.9 33.8 73 177 A K S S+ 0 0 138 -3,-0.1 225,-0.2 24,-0.1 24,-0.2 -0.295 121.2 0.7 -62.8 136.2 -0.6 -0.0 36.5 74 178 A G S S+ 0 0 23 1,-0.2 -3,-0.3 20,-0.1 223,-0.2 -0.312 97.2 71.6 80.7-169.0 0.5 -3.5 35.4 75 179 A G S S+ 0 0 9 221,-1.2 221,-0.2 -2,-0.1 -1,-0.2 -0.381 100.7 25.4 64.0-139.8 -0.2 -5.1 32.1 76 180 A I - 0 0 40 1,-0.2 -5,-0.4 219,-0.1 3,-0.1 -0.337 66.2-176.8 -51.6 124.0 1.9 -3.6 29.2 77 181 A L - 0 0 40 1,-0.4 17,-2.8 -7,-0.1 2,-0.3 0.784 56.7 -23.1 -93.8 -35.5 5.0 -2.1 30.8 78 182 A A E -D 93 0A 14 15,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.984 50.5-156.8-170.2 159.5 6.7 -0.5 27.8 79 183 A H E -D 92 0A 36 13,-2.5 13,-3.5 -2,-0.3 2,-0.3 -0.978 5.2-163.6-149.3 161.3 7.1 -0.4 24.0 80 184 A A E -D 91 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.997 18.4-124.2-147.4 148.5 9.7 0.6 21.4 81 185 A F - 0 0 48 9,-2.3 8,-0.7 6,-0.4 3,-0.1 -0.701 31.8-111.3 -93.7 142.3 9.7 1.3 17.7 82 186 A G - 0 0 36 -2,-0.3 7,-1.0 1,-0.2 8,-0.2 -0.126 57.6 -58.8 -62.7 164.7 12.1 -0.4 15.3 83 187 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.149 87.5 104.9 -50.2 136.2 15.0 1.4 13.6 84 188 A G - 0 0 35 4,-0.2 2,-0.1 -30,-0.1 -3,-0.0 -0.932 68.3 -65.9 166.7 170.9 13.7 4.3 11.4 85 189 A S S > S+ 0 0 118 -2,-0.3 3,-1.9 2,-0.1 2,-0.2 -0.329 98.1 3.2 -75.9 165.0 13.3 8.1 11.1 86 190 A G T 3 S+ 0 0 69 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.403 141.4 4.7 64.3-121.7 11.1 10.1 13.4 87 191 A I T > S+ 0 0 70 -2,-0.2 3,-1.8 2,-0.1 -6,-0.4 0.587 103.0 118.3 -75.6 -9.6 9.5 8.0 16.2 88 192 A G T < S+ 0 0 7 -3,-1.9 -4,-0.2 1,-0.2 -32,-0.2 -0.329 78.9 18.0 -55.8 137.8 11.5 5.0 14.9 89 193 A G T 3 S+ 0 0 0 -7,-1.0 -1,-0.2 -8,-0.7 30,-0.1 0.121 93.2 136.9 86.1 -21.1 13.9 3.8 17.6 90 194 A D < - 0 0 15 -3,-1.8 -9,-2.3 -8,-0.2 2,-0.5 -0.314 42.4-149.7 -66.8 142.4 12.0 5.6 20.4 91 195 A A E -cD 57 80A 2 -35,-2.5 -33,-2.9 -11,-0.2 2,-0.4 -0.945 9.7-165.1-115.8 127.4 11.4 3.7 23.7 92 196 A H E -cD 58 79A 12 -13,-3.5 -13,-2.5 -2,-0.5 2,-0.4 -0.943 1.8-160.9-119.9 134.3 8.3 4.5 25.7 93 197 A F E -cD 59 78A 2 -35,-3.0 -33,-2.5 -2,-0.4 2,-0.6 -0.937 26.1-116.6-117.4 130.3 7.8 3.5 29.4 94 198 A D E > -c 60 0A 0 -17,-2.8 3,-2.1 -2,-0.4 -33,-0.2 -0.506 18.6-158.2 -66.9 111.2 4.4 3.3 31.1 95 199 A E T 3 S+ 0 0 19 -35,-3.2 -34,-0.2 -2,-0.6 -1,-0.2 0.694 88.0 73.1 -67.3 -14.9 4.5 5.9 33.9 96 200 A D T 3 S+ 0 0 49 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.601 84.4 84.0 -74.4 -9.2 1.7 4.0 35.6 97 201 A E S < S- 0 0 7 -3,-2.1 2,-0.7 -20,-0.2 -77,-0.1 -0.499 89.7-120.1 -79.6 161.4 4.3 1.4 36.4 98 202 A F - 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