==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-AUG-12 4GR0 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,L.VERA,F.BEAU,L.DEVEL,E.CASSAR-LAJEUNESSE,V.DIVE . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 50.3 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 . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.8 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 0 168 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 121.8 -0.4 18.9 15.8 2 106 A G - 0 0 47 119,-0.2 120,-0.0 1,-0.2 0, 0.0 -0.060 360.0 -53.4 -70.0-175.3 -3.8 19.0 14.2 3 107 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.298 58.1-175.4 -66.2 145.9 -5.9 15.9 13.9 4 108 A V - 0 0 20 -3,-0.1 2,-0.1 78,-0.1 117,-0.1 -0.942 35.0 -93.3-133.1 158.8 -4.5 12.8 12.2 5 109 A W - 0 0 21 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.484 29.7-140.6 -68.0 142.2 -5.9 9.4 11.3 6 110 A R S S+ 0 0 221 -2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.278 81.4 45.6 -92.3 11.3 -5.3 6.9 14.1 7 111 A K S S- 0 0 91 1,-0.0 -2,-0.1 2,-0.0 36,-0.0 -0.920 71.7-135.1-144.8 164.0 -4.5 4.1 11.7 8 112 A H S S+ 0 0 78 -2,-0.3 36,-3.4 35,-0.1 2,-0.7 0.590 89.0 81.7 -98.6 -13.8 -2.4 3.7 8.5 9 113 A Y E +a 44 0A 125 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.834 64.4 178.1 -95.1 110.8 -5.1 1.8 6.7 10 114 A I E -a 45 0A 0 34,-2.9 36,-2.4 -2,-0.7 2,-0.3 -0.940 14.8-151.3-124.4 131.8 -7.5 4.3 5.3 11 115 A T E -a 46 0A 24 -2,-0.4 44,-2.2 34,-0.2 2,-0.3 -0.696 11.7-174.6-100.7 151.9 -10.7 3.7 3.2 12 116 A Y E -ab 47 55A 10 34,-2.1 36,-3.2 -2,-0.3 2,-0.3 -0.982 6.0-168.0-139.8 155.6 -12.3 5.9 0.6 13 117 A R E - b 0 56A 63 42,-2.2 44,-2.8 -2,-0.3 2,-0.8 -0.996 23.1-129.8-141.9 138.9 -15.4 5.8 -1.5 14 118 A I E - b 0 57A 13 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.804 18.7-167.7 -88.6 113.0 -16.6 8.0 -4.4 15 119 A N - 0 0 83 42,-2.9 2,-0.3 -2,-0.8 43,-0.2 0.861 66.4 -13.7 -68.7 -39.0 -20.1 9.2 -3.6 16 120 A N - 0 0 51 41,-0.7 2,-0.4 44,-0.0 -1,-0.2 -0.971 66.9-115.6-163.1 166.1 -20.9 10.4 -7.1 17 121 A Y - 0 0 48 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.912 22.1-120.0-123.2 133.3 -19.2 11.3 -10.4 18 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.2 8,-0.1 -0.441 16.6-140.7 -65.9 136.2 -18.8 14.5 -12.3 19 123 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.538 92.7 82.0 -73.4 -4.7 -20.5 14.3 -15.8 20 124 A D T 3 S+ 0 0 43 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.757 97.5 34.2 -67.8 -27.4 -17.5 16.3 -17.1 21 125 A M S < S- 0 0 20 -3,-0.9 2,-0.2 79,-0.1 79,-0.1 -0.842 94.1 -95.3-128.1 156.8 -15.3 13.2 -17.3 22 126 A N >> - 0 0 73 -2,-0.3 4,-1.3 1,-0.1 3,-1.2 -0.570 42.6-115.5 -74.1 146.4 -15.8 9.6 -18.1 23 127 A R H 3> S+ 0 0 151 1,-0.3 4,-2.2 -2,-0.2 3,-0.2 0.826 112.3 53.5 -54.6 -41.7 -16.3 7.6 -15.0 24 128 A E H 3> S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.804 105.2 55.9 -66.7 -28.7 -13.1 5.5 -15.3 25 129 A D H <> S+ 0 0 56 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.835 107.0 49.3 -71.8 -33.9 -11.0 8.6 -15.6 26 130 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 5,-0.3 0.921 111.2 49.5 -67.2 -46.8 -12.4 9.9 -12.3 27 131 A D H X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 113.9 47.0 -54.5 -45.5 -11.6 6.6 -10.7 28 132 A Y H X S+ 0 0 119 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.917 110.8 49.6 -67.4 -43.2 -8.1 6.8 -12.1 29 133 A A H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.918 114.3 45.2 -63.5 -43.0 -7.4 10.4 -11.1 30 134 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.918 112.1 52.2 -66.9 -42.7 -8.5 9.7 -7.5 31 135 A R H X S+ 0 0 122 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.929 111.6 45.7 -58.7 -45.3 -6.6 6.5 -7.3 32 136 A K H X S+ 0 0 47 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.840 108.9 56.5 -69.2 -34.0 -3.4 8.1 -8.5 33 137 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.920 109.2 45.3 -64.3 -45.3 -3.9 11.1 -6.1 34 138 A F H >X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 3,-0.5 0.912 109.3 57.5 -60.4 -40.9 -4.1 8.7 -3.1 35 139 A Q H 3X S+ 0 0 71 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.827 96.4 62.9 -60.7 -33.6 -1.0 6.9 -4.5 36 140 A V H 3< S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.924 111.8 37.0 -55.5 -44.3 1.0 10.1 -4.5 37 141 A W H X< S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.5 4,-0.3 0.870 113.0 55.5 -80.2 -38.1 0.6 10.3 -0.7 38 142 A S H >< S+ 0 0 33 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.815 99.1 65.5 -63.2 -26.8 0.9 6.5 -0.1 39 143 A N T 3< S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.660 109.7 34.6 -71.1 -13.9 4.2 6.6 -1.9 40 144 A V T < S+ 0 0 32 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.233 119.3 43.1-125.3 13.9 5.9 8.8 0.8 41 145 A T S < S- 0 0 22 -3,-0.8 118,-0.1 -4,-0.3 114,-0.1 -0.847 86.2-105.3-143.4 175.5 4.2 7.5 4.0 42 146 A P S S+ 0 0 59 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.357 79.2 125.1 -86.6 6.1 3.3 4.2 5.6 43 147 A L - 0 0 6 -6,-0.3 2,-0.4 115,-0.1 -2,-0.2 -0.392 44.4-162.5 -68.8 141.5 -0.4 5.0 4.7 44 148 A K E -a 9 0A 131 -36,-3.4 -34,-2.9 -2,-0.1 2,-0.5 -0.990 5.0-152.7-125.5 132.0 -2.3 2.4 2.7 45 149 A F E -a 10 0A 34 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.914 7.5-168.8-112.4 130.8 -5.6 3.4 0.9 46 150 A S E -a 11 0A 35 -36,-2.4 -34,-2.1 -2,-0.5 2,-0.4 -0.962 15.6-140.3-119.6 122.7 -8.4 1.0 0.1 47 151 A K E -a 12 0A 69 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.630 16.7-162.8 -78.1 128.3 -11.2 1.9 -2.3 48 152 A I - 0 0 32 -36,-3.2 -34,-0.4 -2,-0.4 3,-0.1 -0.922 13.3-163.5-110.2 147.3 -14.6 0.7 -1.2 49 153 A N S S+ 0 0 128 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.768 78.1 18.2 -92.2 -32.0 -17.6 0.5 -3.6 50 154 A T S S+ 0 0 128 2,-0.1 -1,-0.3 -37,-0.0 2,-0.3 -0.998 103.9 19.0-146.0 132.5 -20.3 0.3 -1.0 51 155 A G S S- 0 0 39 -2,-0.4 2,-0.5 -3,-0.1 -3,-0.1 -0.738 94.7 -4.3 117.1-158.0 -20.5 1.0 2.7 52 156 A M + 0 0 186 -2,-0.3 2,-0.3 4,-0.0 -2,-0.1 -0.666 58.7 175.4 -84.7 119.1 -18.6 3.0 5.3 53 157 A A - 0 0 25 -2,-0.5 -41,-0.2 1,-0.1 3,-0.1 -0.904 34.8-135.3-121.5 149.6 -15.4 4.8 4.2 54 158 A D S S+ 0 0 32 -2,-0.3 2,-0.6 1,-0.2 -42,-0.2 0.935 98.2 39.4 -65.0 -47.1 -13.1 7.2 6.1 55 159 A I E S-b 12 0A 0 -44,-2.2 -42,-2.2 34,-0.1 2,-0.5 -0.924 72.0-164.6-111.7 114.2 -12.9 9.6 3.1 56 160 A L E -b 13 0A 33 -2,-0.6 35,-2.4 -44,-0.2 2,-0.6 -0.867 9.3-150.8 -96.5 126.8 -16.0 10.3 1.0 57 161 A V E +bc 14 91A 2 -44,-2.8 -42,-2.9 -2,-0.5 -41,-0.7 -0.884 23.0 178.2 -97.3 122.6 -15.3 12.0 -2.3 58 162 A V E - c 0 92A 20 33,-2.6 35,-2.7 -2,-0.6 2,-0.5 -0.964 25.4-153.8-127.8 138.7 -18.2 14.1 -3.4 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.977 37.6 144.9-105.2 126.2 -19.0 16.4 -6.4 60 164 A A E - c 0 94A 19 33,-2.2 35,-2.8 -2,-0.5 36,-0.4 -0.950 35.1-132.9-151.2 168.0 -21.5 19.1 -5.5 61 165 A R - 0 0 147 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.898 59.7 -21.5-127.6 158.3 -22.3 22.7 -6.3 62 166 A G S S+ 0 0 21 -2,-0.3 8,-2.6 7,-0.1 2,-0.5 -0.095 123.1 4.8 49.7-139.9 -23.2 25.8 -4.3 63 167 A A S S+ 0 0 91 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.663 71.1 168.0 -77.0 123.5 -24.6 25.1 -0.8 64 168 A H - 0 0 43 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 -0.038 61.1 -76.2-137.6 29.1 -24.3 21.3 -0.4 65 169 A G S S+ 0 0 83 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.454 108.1 84.0 100.5 4.5 -25.0 20.6 3.3 66 170 A D S S- 0 0 18 2,-0.0 -3,-0.0 21,-0.0 3,-0.0 0.262 94.6-108.7-125.0 15.8 -21.8 21.5 5.2 67 171 A D S S+ 0 0 169 1,-0.1 2,-0.3 0, 0.0 -4,-0.1 0.574 98.7 94.1 65.1 11.2 -22.0 25.3 5.9 68 172 A H - 0 0 113 -6,-0.1 -1,-0.1 11,-0.0 -4,-0.1 -0.670 65.1-164.0-126.2 78.6 -19.2 25.9 3.4 69 173 A A - 0 0 66 -2,-0.3 -6,-0.3 -6,-0.1 -7,-0.1 -0.319 16.1-123.5 -66.1 141.0 -21.0 26.7 0.1 70 174 A F - 0 0 12 -8,-2.6 3,-0.1 1,-0.1 7,-0.1 -0.280 17.0-133.5 -73.8 173.1 -19.1 26.6 -3.2 71 175 A D - 0 0 85 1,-0.5 2,-0.1 5,-0.4 -1,-0.1 0.021 37.2 -99.8-129.9 22.9 -19.1 29.7 -5.3 72 176 A G S S- 0 0 20 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.323 80.1 -11.8 81.6-171.5 -19.9 28.9 -9.0 73 177 A K S S+ 0 0 164 23,-0.1 24,-0.1 -3,-0.1 2,-0.1 -0.396 119.9 6.8 -68.6 136.1 -17.2 28.5 -11.7 74 178 A G S S+ 0 0 28 1,-0.2 -3,-0.3 -2,-0.1 2,-0.1 -0.377 96.5 67.2 89.5-170.7 -13.8 29.8 -10.6 75 179 A G S S+ 0 0 67 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.388 104.9 24.8 60.1-127.1 -12.7 30.9 -7.2 76 180 A I - 0 0 95 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.526 63.6-176.0 -71.1 129.3 -12.7 27.9 -4.8 77 181 A L - 0 0 34 1,-0.3 17,-2.7 -2,-0.3 2,-0.3 0.736 62.1 -24.2 -94.2 -26.8 -12.4 24.6 -6.7 78 182 A A E -D 93 0A 8 15,-0.3 -1,-0.3 -19,-0.0 2,-0.3 -0.955 54.0-156.5-174.0 167.2 -12.7 22.2 -3.8 79 183 A H E -D 92 0A 35 13,-2.3 13,-3.1 -2,-0.3 2,-0.3 -0.968 6.0-160.1-160.9 162.8 -12.4 21.7 -0.1 80 184 A A E -D 91 0A 22 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.992 17.1-122.8-149.4 151.4 -11.8 19.0 2.4 81 185 A F - 0 0 44 9,-2.2 8,-0.4 6,-0.3 3,-0.1 -0.728 33.6-111.6 -97.0 145.8 -12.2 18.2 6.1 82 186 A G - 0 0 34 -2,-0.3 7,-1.2 1,-0.2 8,-0.2 -0.174 56.9 -59.4 -69.6 168.5 -9.4 17.2 8.3 83 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.118 86.5 99.9 -55.5 140.3 -9.1 13.6 9.8 84 188 A G S S- 0 0 33 4,-0.2 -3,-0.0 -3,-0.1 2,-0.0 -0.922 70.0 -62.2 163.2 174.2 -12.1 12.7 12.0 85 189 A S S > S+ 0 0 120 -2,-0.3 3,-2.2 2,-0.1 2,-0.1 -0.287 98.5 3.5 -79.0 169.0 -15.3 10.7 12.1 86 190 A G T 3 S+ 0 0 66 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.350 141.9 4.5 60.5-123.9 -18.4 11.5 10.0 87 191 A I T > S+ 0 0 75 -2,-0.1 3,-2.3 2,-0.1 -6,-0.3 0.679 104.3 116.2 -67.6 -17.4 -17.7 14.3 7.6 88 192 A G T < S+ 0 0 8 -3,-2.2 -4,-0.2 1,-0.3 -32,-0.2 -0.243 81.0 16.7 -50.6 136.0 -14.0 14.4 8.8 89 193 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.4 30,-0.1 0.141 92.0 138.0 87.1 -21.5 -11.7 13.4 5.9 90 194 A D < - 0 0 17 -3,-2.3 -9,-2.2 -8,-0.2 2,-0.5 -0.264 40.9-150.5 -69.6 145.2 -14.3 14.0 3.2 91 195 A A E -cD 57 80A 1 -35,-2.4 -33,-2.6 -11,-0.2 2,-0.4 -0.971 9.4-165.3-120.9 126.0 -13.2 15.8 -0.0 92 196 A H E -cD 58 79A 11 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.4 -0.917 2.5-160.6-117.2 132.4 -15.7 17.9 -1.9 93 197 A F E -cD 59 78A 1 -35,-2.7 -33,-2.2 -2,-0.4 2,-0.6 -0.945 26.2-116.8-117.7 132.4 -15.2 19.1 -5.5 94 198 A D E > -c 60 0A 0 -17,-2.7 3,-1.9 -2,-0.4 -33,-0.2 -0.553 17.1-157.2 -73.5 113.3 -17.1 22.0 -7.0 95 199 A E T 3 S+ 0 0 22 -35,-2.8 -34,-0.2 -2,-0.6 -1,-0.2 0.665 87.3 74.7 -67.3 -15.2 -19.3 20.7 -9.9 96 200 A D T 3 S+ 0 0 55 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.648 84.7 80.6 -73.3 -12.0 -19.4 24.2 -11.3 97 201 A E S < S- 0 0 9 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.512 90.8-117.6 -79.1 162.7 -15.8 23.7 -12.4 98 202 A F - 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