==== 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 19-MAY-10 3N2V . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.8 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.3 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 1 0 0 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 1 106 A G 0 0 110 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.5 8.8 13.4 2.3 2 107 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.152 360.0-179.4 -69.6 150.2 7.4 14.6 5.6 3 108 A V - 0 0 47 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.935 39.6 -94.4-130.8 161.1 9.0 14.1 9.1 4 109 A W - 0 0 23 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.621 30.2-155.3 -71.1 135.8 7.9 15.2 12.6 5 110 A R S S+ 0 0 246 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.084 70.2 64.0-106.7 32.6 9.6 18.5 13.4 6 111 A K S S- 0 0 96 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.949 73.0-135.7-147.1 165.2 9.5 18.1 17.2 7 112 A H S S+ 0 0 115 -2,-0.3 36,-2.7 1,-0.1 2,-0.7 0.778 85.0 70.1-101.6 -24.9 11.1 15.6 19.6 8 113 A Y E -a 43 0A 179 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.822 64.7-179.5 -99.7 114.6 8.2 14.7 22.0 9 114 A I E -a 44 0A 2 34,-3.1 36,-2.1 -2,-0.7 2,-0.3 -0.912 11.4-150.3-118.3 138.6 5.7 12.7 20.1 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.6 34,-0.2 43,-0.5 -0.799 9.3-170.4-107.1 150.5 2.4 11.3 21.6 11 116 A Y E -ab 46 54A 7 34,-2.4 36,-2.8 -2,-0.3 2,-0.4 -0.954 2.9-165.6-134.2 161.4 0.4 8.2 20.8 12 117 A R E - b 0 55A 73 42,-1.9 44,-3.1 -2,-0.3 2,-0.9 -0.998 21.0-134.4-142.0 135.5 -3.0 7.1 21.8 13 118 A I E - b 0 56A 14 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.827 19.5-167.5 -93.0 110.8 -4.6 3.6 21.5 14 119 A N - 0 0 84 42,-2.9 2,-0.3 -2,-0.9 -1,-0.2 0.828 65.3 -14.7 -61.6 -42.6 -8.1 4.4 20.2 15 120 A N - 0 0 50 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.973 68.9-111.6-161.1 165.1 -9.5 1.0 20.8 16 121 A Y - 0 0 61 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.889 20.7-123.7-117.8 134.4 -8.4 -2.6 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.1 1,-0.1 8,-0.1 -0.441 16.3-140.1 -65.5 136.8 -8.5 -5.8 19.6 18 123 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.577 92.8 83.5 -73.2 -1.6 -10.4 -8.6 21.4 19 124 A D T 3 S+ 0 0 38 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.717 95.7 34.8 -74.6 -19.8 -7.7 -10.9 20.1 20 125 A M S < S- 0 0 14 -3,-1.1 2,-0.2 79,-0.1 79,-0.1 -0.842 90.9 -90.3-134.0 160.1 -5.3 -10.0 22.9 21 126 A N >> - 0 0 104 -2,-0.3 4,-1.9 1,-0.1 3,-0.8 -0.576 41.8-123.0 -61.1 141.7 -5.1 -9.1 26.6 22 127 A R H 3> S+ 0 0 142 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.905 112.0 51.2 -55.7 -46.7 -5.3 -5.3 27.0 23 128 A E H 3> S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.813 108.1 54.4 -64.2 -24.5 -2.0 -5.1 28.8 24 129 A D H <> S+ 0 0 45 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.867 106.4 50.4 -79.7 -32.5 -0.4 -7.1 26.0 25 130 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.965 112.2 48.5 -61.2 -48.6 -1.7 -4.7 23.4 26 131 A D H X S+ 0 0 49 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 114.0 45.4 -55.0 -49.1 -0.2 -1.8 25.5 27 132 A Y H X S+ 0 0 137 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.894 110.9 52.1 -66.8 -44.6 3.2 -3.6 25.9 28 133 A A H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.929 114.3 43.2 -57.7 -47.0 3.4 -4.6 22.1 29 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 114.3 50.2 -68.9 -40.7 2.8 -1.0 21.0 30 135 A R H X S+ 0 0 139 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.936 112.1 47.7 -60.0 -50.7 5.1 0.5 23.7 31 136 A K H X S+ 0 0 65 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.892 109.6 54.2 -59.2 -37.9 7.9 -1.9 22.7 32 137 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.906 108.7 47.0 -66.0 -39.3 7.4 -1.1 19.0 33 138 A F H >X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.896 107.0 58.9 -65.8 -38.9 7.8 2.7 19.7 34 139 A Q H 3X S+ 0 0 62 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.871 96.0 63.7 -61.8 -34.1 11.0 1.9 21.8 35 140 A V H 3< S+ 0 0 14 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.921 110.7 37.5 -51.6 -42.0 12.5 0.2 18.7 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.6 6,-0.3 0.849 113.1 52.5 -85.4 -33.2 12.5 3.6 17.0 37 142 A S H >< S+ 0 0 32 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.772 98.9 69.8 -77.1 -14.3 13.4 5.9 19.9 38 143 A N T 3< S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.725 111.3 30.1 -65.9 -23.6 16.4 3.5 20.5 39 144 A V T < S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.193 120.3 47.8-127.3 13.1 18.0 4.9 17.3 40 145 A T S < S- 0 0 20 -3,-0.8 118,-0.1 -4,-0.2 114,-0.1 -0.880 84.8-107.7-139.7 176.4 16.6 8.5 17.0 41 146 A P S S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.403 79.2 122.4 -83.0 3.7 16.3 11.6 19.3 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.335 47.4-158.8 -71.0 151.4 12.5 11.0 19.5 43 148 A K E -a 8 0A 129 -36,-2.7 -34,-3.1 2,-0.0 2,-0.4 -0.995 8.5-156.7-126.3 134.7 10.6 10.4 22.7 44 149 A F E -a 9 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.914 10.4-177.4-115.6 136.6 7.2 8.7 22.7 45 150 A S E -a 10 0A 64 -36,-2.1 -34,-2.4 -2,-0.4 2,-0.4 -1.000 22.5-131.4-136.0 134.1 4.5 9.0 25.3 46 151 A K E -a 11 0A 70 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.708 23.9-169.1 -78.5 130.0 1.0 7.3 25.6 47 152 A I - 0 0 47 -36,-2.8 -34,-0.5 -2,-0.4 3,-0.1 -0.870 16.4-154.4-117.3 154.0 -1.8 9.6 26.3 48 153 A N S S+ 0 0 118 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.519 74.2 26.3-110.8 -4.7 -5.3 8.4 27.3 49 154 A T S S+ 0 0 110 2,-0.1 -1,-0.1 -37,-0.0 2,-0.0 -0.963 94.1 25.7-154.0 160.2 -7.3 11.4 26.1 50 155 A G S S- 0 0 41 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.261 98.1 -25.0 81.6-168.7 -7.2 14.2 23.6 51 156 A M - 0 0 184 -2,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.712 61.0-168.4 -89.5 114.9 -5.5 14.6 20.2 52 157 A A - 0 0 15 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.657 29.6-127.5 -92.0 161.8 -2.3 12.4 19.8 53 158 A D S S+ 0 0 28 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.912 103.9 34.6 -68.8 -49.1 0.2 12.7 17.1 54 159 A I E S-b 11 0A 0 -44,-2.6 -42,-1.9 35,-0.1 2,-0.5 -0.943 74.1-164.3-113.4 112.7 -0.2 9.0 16.4 55 160 A L E -b 12 0A 42 -2,-0.6 35,-2.3 -44,-0.2 2,-0.5 -0.866 9.2-151.3 -95.0 125.6 -3.6 7.4 16.8 56 161 A V E +bc 13 90A 1 -44,-3.1 -42,-2.9 -2,-0.5 -41,-0.7 -0.882 23.3 179.0-100.0 122.2 -3.5 3.5 17.0 57 162 A V E - c 0 91A 18 33,-2.5 35,-3.1 -2,-0.5 2,-0.5 -0.965 25.7-153.2-130.8 136.7 -6.7 2.0 15.7 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.965 37.5 146.9-101.9 131.0 -8.1 -1.5 15.2 59 164 A A E - c 0 93A 18 33,-2.4 35,-2.6 -2,-0.5 36,-0.4 -0.978 34.6-138.5-156.7 159.2 -10.7 -1.6 12.5 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.918 60.7 -23.3-124.5 157.5 -12.1 -3.9 9.7 61 166 A G S S+ 0 0 21 -2,-0.3 8,-2.5 7,-0.1 2,-0.4 -0.155 122.0 11.9 47.6-137.4 -13.1 -3.3 6.2 62 167 A A + 0 0 92 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.599 69.3 165.8 -71.3 124.8 -14.2 0.3 5.4 63 168 A H - 0 0 41 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.052 60.6 -77.8-141.6 32.7 -13.2 2.5 8.2 64 169 A G S S+ 0 0 84 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.547 103.1 77.0 95.4 13.6 -13.4 6.1 7.3 65 170 A D S S- 0 0 36 21,-0.0 -1,-0.4 0, 0.0 -2,-0.3 -0.733 93.3 -96.9-135.2-174.6 -10.3 6.7 5.2 66 171 A D S S+ 0 0 165 -2,-0.2 2,-0.1 1,-0.2 -4,-0.0 0.130 103.1 83.0 -97.9 31.2 -9.5 5.7 1.7 67 172 A H - 0 0 97 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.395 65.7-169.3-131.4 62.9 -7.6 2.6 2.6 68 173 A A - 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0 0 32 9,-2.2 8,-0.5 6,-0.3 3,-0.1 -0.817 31.3-111.9-109.1 147.4 0.0 7.6 7.4 81 186 A G - 0 0 33 -2,-0.4 7,-1.4 1,-0.2 8,-0.2 -0.111 56.1 -60.8 -69.2 169.3 3.2 9.6 7.2 82 187 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.150 85.7 99.2 -53.2 139.7 3.9 12.5 9.5 83 188 A G S S- 0 0 37 4,-0.2 -3,-0.1 -30,-0.1 -79,-0.0 -0.918 71.1 -58.0 161.6 177.2 1.4 15.4 9.3 84 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.247 99.0 2.3 -74.9 167.4 -1.6 16.9 10.9 85 190 A G T 3 S+ 0 0 61 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.403 141.3 6.5 65.9-118.6 -4.9 15.1 11.5 86 191 A I T > S+ 0 0 98 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.581 102.0 121.4 -72.5 -11.9 -4.7 11.5 10.3 87 192 A G T < S+ 0 0 7 -3,-2.2 -32,-0.2 1,-0.3 -6,-0.2 -0.257 78.5 15.5 -51.8 138.3 -1.0 12.0 9.7 88 193 A G T 3 S+ 0 0 0 -7,-1.4 -1,-0.3 -8,-0.5 30,-0.1 0.203 92.1 140.5 83.4 -17.6 1.0 9.5 11.7 89 194 A D < - 0 0 14 -3,-2.3 -9,-2.2 -8,-0.2 2,-0.5 -0.301 38.9-152.4 -70.6 148.0 -2.0 7.2 12.4 90 195 A A E -cD 56 79A 0 -35,-2.3 -33,-2.5 -11,-0.2 2,-0.4 -0.981 8.3-166.6-124.8 124.5 -1.6 3.5 12.4 91 196 A H E -cD 57 78A 15 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.5 -0.919 2.8-161.0-117.6 129.9 -4.5 1.2 11.6 92 197 A F E -cD 58 77A 1 -35,-3.1 -33,-2.4 -2,-0.4 2,-0.6 -0.936 26.8-116.3-114.9 132.5 -4.5 -2.6 12.2 93 198 A D E > -c 59 0A 0 -17,-2.4 3,-1.8 -2,-0.5 -33,-0.2 -0.539 16.1-155.1 -71.7 117.2 -6.9 -4.8 10.4 94 199 A E T 3 S+ 0 0 15 -35,-2.6 -34,-0.2 -2,-0.6 -1,-0.2 0.674 88.0 74.7 -67.2 -18.7 -9.2 -6.4 13.0 95 200 A D T 3 S+ 0 0 49 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.615 85.5 78.6 -70.4 -10.0 -9.8 -9.3 10.6 96 201 A E S < S- 0 0 7 -3,-1.8 2,-0.7 -20,-0.2 -77,-0.1 -0.551 90.5-119.4 -81.6 167.9 -6.4 -10.5 11.4 97 202 A F - 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