==== 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 20-SEP-12 4H76 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,L.VERA,E.CASSAR-LAJEUNESSE,E.NUTI,V.DIVE,A.ROSSELL . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 51.6 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 . 9 5.7 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 . 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 1 0 0 1 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 0 176 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 144.8 -0.0 18.9 15.2 2 106 A G - 0 0 50 119,-0.3 121,-0.0 1,-0.2 120,-0.0 -0.110 360.0 -47.5 -75.6-170.2 -3.5 19.2 13.9 3 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.326 60.7-172.4 -65.8 145.9 -5.6 16.1 13.7 4 108 A V - 0 0 48 78,-0.1 2,-0.2 -3,-0.1 117,-0.1 -0.948 33.6 -96.1-132.1 155.0 -4.1 12.9 12.1 5 109 A W - 0 0 22 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.499 28.6-142.8 -66.9 139.6 -5.6 9.5 11.2 6 110 A R S S+ 0 0 234 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.247 81.3 47.5 -92.7 13.2 -4.9 7.1 14.0 7 111 A K S S- 0 0 79 1,-0.0 -2,-0.1 2,-0.0 36,-0.0 -0.943 72.4-136.4-147.7 159.3 -4.2 4.2 11.6 8 112 A H S S+ 0 0 91 -2,-0.3 36,-3.0 35,-0.1 2,-0.8 0.572 86.6 82.3 -99.5 -10.8 -2.2 3.8 8.4 9 113 A Y E +a 44 0A 123 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.849 63.4 177.3 -97.4 110.5 -4.9 1.9 6.6 10 114 A I E -a 45 0A 0 34,-2.7 36,-2.0 -2,-0.8 2,-0.3 -0.951 13.9-152.6-124.0 130.3 -7.2 4.5 5.1 11 115 A T E -a 46 0A 20 -2,-0.4 44,-2.6 34,-0.2 2,-0.3 -0.680 9.7-171.6-101.9 154.3 -10.3 3.9 2.9 12 116 A Y E -ab 47 55A 11 34,-2.2 36,-3.2 -2,-0.3 2,-0.3 -0.981 6.4-168.0-139.8 156.0 -11.9 6.1 0.3 13 117 A R E - b 0 56A 60 42,-2.1 44,-2.8 -2,-0.3 2,-0.8 -0.997 23.2-130.7-142.3 137.7 -15.1 6.1 -1.8 14 118 A I E - b 0 57A 14 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.825 18.7-166.2 -89.9 111.3 -16.1 8.3 -4.7 15 119 A N - 0 0 83 42,-2.7 2,-0.3 -2,-0.8 43,-0.2 0.860 66.3 -14.1 -63.9 -41.7 -19.7 9.5 -3.9 16 120 A N - 0 0 50 41,-0.7 2,-0.4 44,-0.0 -1,-0.2 -0.965 67.7-114.4-160.6 166.3 -20.4 10.7 -7.4 17 121 A Y - 0 0 52 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.915 22.6-120.4-120.3 134.4 -18.7 11.6 -10.7 18 122 A T > - 0 0 3 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.476 15.0-142.3 -65.4 134.4 -18.3 14.9 -12.5 19 123 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.554 92.3 81.3 -74.1 -4.6 -19.9 14.8 -16.0 20 124 A D T 3 S+ 0 0 45 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.768 100.3 32.6 -66.3 -27.8 -16.9 16.9 -17.2 21 125 A M S < S- 0 0 20 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.836 93.9 -98.1-126.8 155.8 -14.8 13.7 -17.5 22 126 A N >> - 0 0 81 -2,-0.3 4,-1.4 1,-0.1 3,-1.2 -0.600 40.2-113.9 -76.4 151.2 -15.4 10.1 -18.3 23 127 A R H 3> S+ 0 0 142 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.825 113.2 55.9 -51.5 -45.4 -15.8 7.9 -15.2 24 128 A E H 3> S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.816 106.4 53.0 -61.6 -31.3 -12.7 5.8 -15.8 25 129 A D H <> S+ 0 0 58 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.853 107.4 49.9 -76.0 -35.0 -10.6 9.0 -15.9 26 130 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.948 110.8 50.1 -64.4 -48.5 -12.0 10.2 -12.5 27 131 A D H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 113.6 46.3 -52.8 -46.1 -11.2 6.9 -10.9 28 132 A Y H X S+ 0 0 115 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.912 110.9 50.5 -67.2 -44.7 -7.6 7.0 -12.4 29 133 A A H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 114.6 44.8 -60.0 -45.0 -7.0 10.6 -11.3 30 134 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.932 112.8 49.9 -67.6 -44.0 -8.1 9.9 -7.8 31 135 A R H X S+ 0 0 119 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.919 112.8 47.1 -58.4 -45.1 -6.2 6.6 -7.5 32 136 A K H X S+ 0 0 47 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.843 108.4 55.6 -68.7 -32.9 -3.0 8.3 -8.7 33 137 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.919 109.5 46.0 -67.5 -41.4 -3.4 11.2 -6.4 34 138 A F H >X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 3,-0.6 0.908 108.2 58.3 -62.3 -40.0 -3.6 8.8 -3.4 35 139 A Q H 3X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.849 96.0 63.2 -59.2 -36.5 -0.6 7.0 -4.8 36 140 A V H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.915 110.5 38.0 -53.2 -45.5 1.5 10.2 -4.6 37 141 A W H X< S+ 0 0 0 -4,-1.0 3,-1.1 -3,-0.6 6,-0.3 0.829 112.3 55.8 -79.5 -33.6 1.1 10.3 -0.8 38 142 A S H >< S+ 0 0 37 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.826 97.4 67.1 -67.9 -27.5 1.4 6.6 -0.3 39 143 A N T 3< S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.665 111.0 31.9 -64.4 -17.1 4.8 6.7 -2.1 40 144 A V T < S+ 0 0 36 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.192 119.1 48.3-127.8 14.2 6.4 8.8 0.7 41 145 A T S < S- 0 0 22 -3,-0.9 118,-0.1 -4,-0.2 114,-0.1 -0.879 84.1-108.1-141.4 171.8 4.5 7.5 3.8 42 146 A P S S+ 0 0 60 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.302 79.1 124.6 -83.8 11.0 3.5 4.2 5.5 43 147 A L - 0 0 6 -6,-0.3 2,-0.5 115,-0.1 -2,-0.2 -0.491 44.8-163.1 -75.6 137.4 -0.1 5.0 4.5 44 148 A K E -a 9 0A 132 -36,-3.0 -34,-2.7 -2,-0.2 2,-0.4 -0.984 6.5-153.1-120.7 129.1 -2.1 2.5 2.5 45 149 A F E -a 10 0A 33 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.841 9.9-172.4-107.8 136.1 -5.2 3.5 0.6 46 150 A S E -a 11 0A 33 -36,-2.0 -34,-2.2 -2,-0.4 2,-0.4 -0.988 18.2-133.1-132.0 128.4 -8.0 1.2 -0.2 47 151 A K E -a 12 0A 69 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.639 14.8-160.7 -86.0 132.0 -11.1 2.0 -2.4 48 152 A I - 0 0 43 -36,-3.2 -34,-0.4 -2,-0.4 3,-0.1 -0.932 8.3-168.9-108.8 131.4 -14.6 1.1 -1.2 49 153 A N S S+ 0 0 130 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.810 77.2 15.3 -86.1 -32.8 -17.4 0.8 -3.8 50 154 A T S S+ 0 0 128 2,-0.1 -1,-0.3 -37,-0.0 2,-0.3 -0.986 107.3 16.5-145.6 130.0 -20.2 0.6 -1.3 51 155 A G S S- 0 0 37 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.712 95.8 -1.0 115.6-160.5 -20.4 1.4 2.4 52 156 A M + 0 0 189 -2,-0.3 2,-0.3 4,-0.0 -2,-0.1 -0.416 58.5 172.6 -74.0 134.8 -18.4 3.3 5.0 53 157 A A - 0 0 26 -2,-0.2 -41,-0.2 1,-0.1 3,-0.2 -0.987 35.4-134.6-138.2 150.8 -15.2 5.0 3.9 54 158 A D S S+ 0 0 35 -2,-0.3 2,-0.7 1,-0.2 -42,-0.2 0.944 97.8 39.0 -67.7 -50.2 -12.8 7.3 5.7 55 159 A I E S-b 12 0A 0 -44,-2.6 -42,-2.1 35,-0.1 2,-0.5 -0.898 72.6-164.7-108.1 110.3 -12.4 9.8 2.8 56 160 A L E -b 13 0A 33 -2,-0.7 35,-2.3 -44,-0.2 2,-0.5 -0.847 9.2-150.6 -92.4 127.7 -15.5 10.5 0.8 57 161 A V E +bc 14 91A 3 -44,-2.8 -42,-2.7 -2,-0.5 -41,-0.7 -0.867 22.7 179.3 -99.6 123.7 -14.8 12.2 -2.5 58 162 A V E - c 0 92A 19 33,-2.6 35,-2.9 -2,-0.5 2,-0.5 -0.970 25.9-156.9-130.7 138.1 -17.7 14.5 -3.6 59 163 A F E + c 0 93A 6 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.984 37.9 144.9-107.8 124.4 -18.4 16.7 -6.6 60 164 A A E - c 0 94A 21 33,-2.2 35,-2.3 -2,-0.5 36,-0.4 -0.964 35.5-131.8-151.6 164.2 -21.0 19.4 -5.7 61 165 A R - 0 0 153 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.838 59.5 -21.4-121.5 161.7 -21.9 23.0 -6.3 62 166 A G S S+ 0 0 22 -2,-0.3 8,-2.8 7,-0.1 2,-0.5 -0.067 123.2 4.8 50.6-138.4 -22.8 26.0 -4.3 63 167 A A S S+ 0 0 90 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.699 72.8 168.4 -80.2 124.4 -24.2 25.3 -0.8 64 168 A H - 0 0 41 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 -0.087 62.1 -67.7-139.0 31.4 -23.8 21.5 -0.5 65 169 A G S S+ 0 0 83 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.419 105.6 78.6 103.9 -2.3 -24.4 20.5 3.2 66 170 A D S S- 0 0 27 21,-0.0 -1,-0.4 2,-0.0 -2,-0.2 -0.701 92.9 -94.9-125.6-177.8 -21.5 21.9 5.1 67 171 A D S S+ 0 0 161 -2,-0.2 2,-0.5 1,-0.2 -4,-0.0 0.451 106.1 76.1 -80.7 7.7 -20.7 25.4 6.4 68 172 A H - 0 0 108 -6,-0.0 -1,-0.2 11,-0.0 -2,-0.0 -0.645 65.9-166.3-127.4 74.7 -18.6 26.2 3.3 69 173 A A - 0 0 62 -2,-0.5 -6,-0.3 -3,-0.1 -7,-0.1 -0.243 22.4-120.3 -60.5 141.6 -20.6 26.9 0.1 70 174 A F - 0 0 12 -8,-2.8 -1,-0.1 1,-0.1 -9,-0.1 -0.295 16.2-134.0 -75.2 172.9 -18.8 26.9 -3.2 71 175 A D - 0 0 87 1,-0.4 -1,-0.1 5,-0.3 2,-0.1 0.022 37.1-108.2-128.2 23.3 -18.8 30.0 -5.3 72 176 A G S S- 0 0 19 3,-0.0 -1,-0.4 25,-0.0 2,-0.2 -0.306 76.7 -2.3 75.6-165.8 -19.6 29.1 -8.9 73 177 A K S S+ 0 0 168 24,-0.1 24,-0.2 22,-0.1 2,-0.1 -0.379 120.1 3.6 -65.2 127.5 -17.2 29.1 -11.8 74 178 A G S S+ 0 0 30 -2,-0.2 -3,-0.3 1,-0.2 2,-0.2 -0.360 99.3 63.5 89.6-175.4 -13.7 30.4 -10.8 75 179 A G S S+ 0 0 66 -2,-0.1 -1,-0.2 -5,-0.1 2,-0.1 -0.402 100.3 32.3 62.1-128.6 -12.5 31.3 -7.3 76 180 A I - 0 0 92 -2,-0.2 -5,-0.3 1,-0.1 -2,-0.1 -0.370 61.0-176.2 -64.1 132.8 -12.5 28.4 -4.9 77 181 A L - 0 0 40 1,-0.4 17,-2.6 -2,-0.1 2,-0.3 0.780 59.1 -29.2 -96.2 -37.3 -11.8 25.1 -6.7 78 182 A A E -D 93 0A 12 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.971 50.5-154.3-171.6 164.2 -12.2 22.5 -3.9 79 183 A H E -D 92 0A 39 13,-2.4 13,-3.3 -2,-0.3 2,-0.3 -0.978 5.9-162.0-154.3 160.5 -11.8 22.0 -0.1 80 184 A A E -D 91 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.996 16.9-126.4-147.2 146.5 -11.2 19.1 2.3 81 185 A F - 0 0 49 9,-2.3 8,-0.3 6,-0.3 3,-0.1 -0.703 31.2-112.7 -94.4 143.8 -11.6 18.4 6.0 82 186 A G - 0 0 31 -2,-0.3 7,-1.7 1,-0.2 8,-0.2 -0.129 57.9 -55.7 -66.9 170.8 -8.8 17.2 8.2 83 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.140 85.6 105.7 -52.7 137.7 -8.8 13.7 9.7 84 188 A G - 0 0 34 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.938 68.2 -69.5 169.2 172.9 -11.8 12.9 11.8 85 189 A S S > S+ 0 0 119 -2,-0.3 3,-2.1 2,-0.1 2,-0.2 -0.359 98.5 3.8 -79.3 167.7 -15.0 10.9 11.9 86 190 A G T 3 S+ 0 0 66 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.369 142.9 5.0 61.8-123.5 -18.0 11.7 9.7 87 191 A I T > S+ 0 0 73 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.699 105.3 115.5 -69.1 -16.9 -17.2 14.6 7.4 88 192 A G T < S+ 0 0 8 -3,-2.1 -32,-0.2 1,-0.3 -4,-0.2 -0.232 81.5 15.8 -50.1 136.9 -13.6 14.5 8.6 89 193 A G T 3 S+ 0 0 0 -7,-1.7 -1,-0.3 -8,-0.3 30,-0.1 0.198 93.4 138.7 84.4 -19.1 -11.3 13.6 5.8 90 194 A D < - 0 0 16 -3,-2.3 -9,-2.3 -8,-0.2 2,-0.5 -0.317 40.9-150.2 -72.8 144.5 -13.8 14.3 3.1 91 195 A A E -cD 57 80A 0 -35,-2.3 -33,-2.6 -11,-0.2 2,-0.4 -0.963 9.6-165.4-120.3 124.2 -12.7 16.0 -0.1 92 196 A H E -cD 58 79A 11 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.4 -0.921 2.7-162.5-117.4 129.7 -15.1 18.2 -2.0 93 197 A F E -cD 59 78A 2 -35,-2.9 -33,-2.2 -2,-0.4 2,-0.6 -0.930 26.8-117.7-115.0 132.2 -14.6 19.5 -5.6 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-1.9 -2,-0.4 -33,-0.2 -0.556 17.2-157.4 -73.4 113.1 -16.6 22.4 -7.0 95 199 A E T 3 S+ 0 0 22 -35,-2.3 -34,-0.2 -2,-0.6 -1,-0.2 0.703 87.3 73.7 -66.4 -17.8 -18.7 21.1 -9.9 96 200 A D T 3 S+ 0 0 59 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.584 86.1 80.8 -74.3 -6.5 -18.9 24.6 -11.3 97 201 A E S < S- 0 0 12 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.547 90.6-117.4 -83.9 164.0 -15.3 24.2 -12.3 98 202 A F - 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