==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-SEP-12 4H84 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,C.ANTONI,L.VERA,E.CASSAR-LAJEUNESSE,E.NUTI,V.DIVE, . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 0 161 0, 0.0 156,-0.0 0, 0.0 312,-0.0 0.000 360.0 360.0 360.0 -50.6 -26.1 -1.4 2.9 2 106 A G - 0 0 39 281,-0.1 2,-0.2 80,-0.1 283,-0.1 -0.604 360.0 -50.7 95.4-171.7 -24.9 1.9 4.1 3 107 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.548 69.2-144.1 -79.4 168.0 -26.9 4.9 2.9 4 108 A V - 0 0 15 -2,-0.2 2,-0.5 78,-0.1 117,-0.1 -0.879 30.5 -79.6-125.6 166.2 -27.4 4.7 -0.8 5 109 A W - 0 0 22 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.548 41.2-156.8 -63.0 116.7 -27.5 7.3 -3.5 6 110 A R S S+ 0 0 211 -2,-0.5 2,-0.3 2,-0.0 -1,-0.2 0.325 76.0 52.8 -84.4 5.9 -31.1 8.4 -3.0 7 111 A K S S- 0 0 96 1,-0.0 3,-0.1 0, 0.0 36,-0.0 -0.906 73.0-144.2-133.9 161.9 -31.2 9.7 -6.6 8 112 A H S S+ 0 0 81 -2,-0.3 36,-3.6 1,-0.1 2,-0.7 0.414 83.6 77.7-113.4 -0.8 -30.3 7.8 -9.8 9 113 A Y E +a 44 0A 145 34,-0.2 2,-0.5 36,-0.0 36,-0.2 -0.873 66.7 179.8-109.0 95.3 -28.7 10.7 -11.7 10 114 A I E -a 45 0A 0 34,-3.0 36,-2.1 -2,-0.7 2,-0.3 -0.838 15.1-146.4-109.4 128.4 -25.3 11.0 -10.1 11 115 A T E -a 46 0A 31 -2,-0.5 44,-2.2 34,-0.2 2,-0.3 -0.633 13.9-172.6 -92.8 148.4 -22.7 13.6 -11.2 12 116 A Y E -ab 47 55A 6 34,-2.1 36,-2.7 -2,-0.3 2,-0.4 -0.974 6.5-163.5-133.6 156.1 -18.9 13.1 -11.2 13 117 A R E - b 0 56A 74 42,-2.2 44,-2.9 -2,-0.3 2,-0.9 -0.999 20.4-135.5-136.4 135.0 -16.0 15.4 -11.9 14 118 A I E - b 0 57A 12 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.822 20.9-167.8 -88.6 108.1 -12.4 14.5 -12.7 15 119 A N - 0 0 83 42,-2.8 2,-0.3 -2,-0.9 43,-0.2 0.853 64.4 -14.0 -67.1 -39.1 -10.5 17.0 -10.4 16 120 A N - 0 0 53 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.969 68.8-114.7-160.6 165.7 -7.1 16.5 -11.9 17 121 A Y - 0 0 43 -2,-0.3 6,-0.1 -3,-0.1 42,-0.0 -0.863 21.8-119.1-116.3 140.5 -5.3 14.1 -14.2 18 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.544 15.4-141.9 -69.6 137.4 -2.4 11.7 -13.7 19 123 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.516 91.6 82.2 -76.8 -3.4 0.6 12.5 -15.9 20 124 A D T 3 S+ 0 0 44 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.703 99.4 29.7 -70.2 -23.9 1.1 8.8 -16.4 21 125 A M S < S- 0 0 21 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.889 94.2 -87.4-134.5 160.0 -1.5 8.7 -19.1 22 126 A N >> - 0 0 94 -2,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.454 41.3-120.8 -63.6 143.2 -3.0 10.8 -21.9 23 127 A R H 3> S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.893 113.4 52.9 -53.4 -44.8 -5.9 12.9 -20.6 24 128 A E H 3> S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 105.9 54.0 -63.8 -31.3 -8.4 11.4 -23.0 25 129 A D H <> S+ 0 0 52 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.845 108.7 49.2 -70.3 -35.2 -7.3 7.9 -21.9 26 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 5,-0.3 0.941 110.8 49.8 -66.0 -49.5 -8.1 8.9 -18.3 27 131 A D H X S+ 0 0 41 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 113.4 46.8 -52.8 -42.7 -11.5 10.3 -19.3 28 132 A Y H X S+ 0 0 133 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.926 110.7 50.5 -70.0 -44.4 -12.3 7.0 -21.2 29 133 A A H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.915 115.1 43.2 -61.7 -44.7 -11.2 4.7 -18.4 30 134 A I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.921 113.9 50.0 -67.9 -43.3 -13.4 6.5 -15.8 31 135 A R H X S+ 0 0 113 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.919 112.9 47.2 -63.6 -41.2 -16.4 6.9 -18.1 32 136 A K H X S+ 0 0 50 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.829 107.5 56.5 -70.2 -31.2 -16.3 3.2 -19.0 33 137 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.2 3,-0.2 0.912 108.6 46.7 -65.6 -41.1 -15.9 2.2 -15.3 34 138 A F H >X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 3,-0.8 0.919 107.9 58.6 -62.8 -40.5 -19.1 4.1 -14.5 35 139 A Q H 3X S+ 0 0 72 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.804 94.6 63.7 -60.7 -32.5 -20.7 2.4 -17.5 36 140 A V H 3< S+ 0 0 23 -4,-1.4 -1,-0.3 -3,-0.2 4,-0.2 0.919 110.2 39.5 -55.5 -40.7 -20.0 -1.1 -16.0 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.8 4,-0.3 0.837 111.6 54.4 -85.3 -33.7 -22.3 -0.3 -13.1 38 142 A S H 3< S+ 0 0 35 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.709 98.2 67.8 -70.5 -17.8 -25.0 1.5 -15.1 39 143 A N T 3< S+ 0 0 116 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.654 111.2 30.8 -74.8 -14.8 -25.2 -1.6 -17.3 40 144 A V S < S+ 0 0 37 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.238 121.9 44.7-126.0 11.5 -26.7 -3.6 -14.5 41 145 A T S S- 0 0 20 -3,-0.4 118,-0.1 -4,-0.3 114,-0.1 -0.859 84.6-108.3-141.7 171.9 -28.6 -1.0 -12.4 42 146 A P S S+ 0 0 52 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.313 76.7 126.8 -85.7 8.7 -30.9 2.0 -13.1 43 147 A L - 0 0 1 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.416 42.7-163.3 -68.7 140.5 -28.1 4.4 -12.1 44 148 A K E -a 9 0A 124 -36,-3.6 -34,-3.0 -2,-0.1 2,-0.4 -0.989 3.1-158.8-124.5 132.7 -27.1 7.1 -14.5 45 149 A F E -a 10 0A 38 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.899 5.5-169.8-116.1 143.2 -23.9 9.0 -14.4 46 150 A S E -a 11 0A 35 -36,-2.1 -34,-2.1 -2,-0.4 2,-0.3 -0.981 16.1-139.1-136.3 123.3 -23.0 12.5 -15.8 47 151 A K E -a 12 0A 66 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.629 22.2-170.9 -81.2 130.9 -19.6 14.1 -16.0 48 152 A I - 0 0 44 -36,-2.7 -34,-0.4 -2,-0.3 5,-0.1 -0.891 19.5-160.8-120.0 156.4 -19.5 17.8 -15.2 49 153 A N S S+ 0 0 118 -2,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.473 72.9 50.6-113.9 -6.0 -16.6 20.2 -15.6 50 154 A T S S+ 0 0 115 2,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.975 96.0 6.1-137.5 147.7 -17.6 23.0 -13.3 51 155 A G S S- 0 0 40 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.143 99.4 -41.0 77.3-174.4 -18.7 23.2 -9.7 52 156 A M - 0 0 141 4,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.714 57.4-158.9 -89.9 138.5 -18.8 20.4 -7.1 53 157 A A - 0 0 9 -2,-0.4 -41,-0.1 1,-0.1 3,-0.1 -0.675 30.4-110.3-106.4 168.4 -20.1 17.0 -8.3 54 158 A D S S+ 0 0 39 -2,-0.2 2,-0.6 1,-0.2 -42,-0.2 0.912 110.7 34.9 -59.7 -46.3 -21.5 14.1 -6.2 55 159 A I E S-b 12 0A 1 -44,-2.2 -42,-2.2 34,-0.1 2,-0.5 -0.953 74.9-163.8-117.3 115.1 -18.4 12.0 -6.9 56 160 A L E -b 13 0A 21 -2,-0.6 35,-2.2 -44,-0.2 2,-0.5 -0.885 7.4-153.0 -98.2 129.6 -15.0 13.8 -7.1 57 161 A V E +bc 14 91A 4 -44,-2.9 -42,-2.8 -2,-0.5 -41,-0.6 -0.894 20.9 179.8-103.7 125.7 -12.2 11.8 -8.8 58 162 A V E - c 0 92A 20 33,-2.3 35,-2.8 -2,-0.5 2,-0.5 -0.968 24.7-153.5-130.9 139.9 -8.7 12.8 -7.6 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.975 37.2 147.8-107.0 126.6 -5.1 11.7 -8.2 60 164 A A E - c 0 94A 18 33,-2.5 35,-2.3 -2,-0.5 36,-0.4 -0.997 37.3-136.7-155.1 152.5 -2.8 12.4 -5.3 61 165 A R - 0 0 135 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.848 67.0 -22.8-112.2 153.7 0.3 11.2 -3.5 62 166 A G S S+ 0 0 24 -2,-0.3 8,-2.0 7,-0.1 2,-0.2 -0.090 121.9 11.2 53.0-140.6 0.8 11.0 0.2 63 167 A A + 0 0 89 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.494 64.5 167.6 -72.2 132.8 -1.3 13.2 2.4 64 168 A H - 0 0 43 -2,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.023 61.8 -76.2-144.1 31.1 -4.1 14.8 0.4 65 169 A G S S+ 0 0 85 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.481 107.1 82.1 96.9 11.8 -6.6 16.3 2.8 66 170 A D S S- 0 0 15 21,-0.0 -3,-0.0 2,-0.0 21,-0.0 0.113 95.6-104.1-139.4 25.8 -8.7 13.5 4.2 67 171 A D S S+ 0 0 134 1,-0.1 2,-0.4 228,-0.0 -4,-0.0 0.345 101.5 90.8 70.0 -7.7 -6.9 11.7 7.2 68 172 A H - 0 0 50 -6,-0.1 -1,-0.1 227,-0.1 227,-0.0 -0.631 62.0-171.2-119.9 73.2 -6.0 8.8 4.9 69 173 A A - 0 0 62 -2,-0.4 -6,-0.3 -6,-0.1 -7,-0.1 -0.307 23.7-116.8 -64.0 145.1 -2.6 9.5 3.3 70 174 A F - 0 0 13 -8,-2.0 3,-0.1 1,-0.1 -1,-0.1 -0.339 17.4-133.2 -77.8 169.2 -1.4 7.3 0.5 71 175 A D - 0 0 61 1,-0.4 2,-0.1 5,-0.3 -1,-0.1 0.052 39.1-104.0-121.5 20.2 1.8 5.2 1.1 72 176 A G S S- 0 0 19 3,-0.0 -1,-0.4 4,-0.0 24,-0.1 -0.328 77.4 -8.6 82.4-171.8 4.1 5.6 -2.0 73 177 A K S S+ 0 0 161 -3,-0.1 24,-0.1 -2,-0.1 2,-0.1 -0.363 120.4 8.6 -64.1 134.6 4.5 3.0 -4.7 74 178 A G S S+ 0 0 31 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.322 98.0 64.2 88.5-175.1 2.9 -0.3 -3.9 75 179 A G S S+ 0 0 69 -2,-0.1 -1,-0.2 -5,-0.1 2,-0.1 -0.404 102.2 27.7 63.6-132.8 0.6 -1.1 -1.0 76 180 A I - 0 0 57 1,-0.1 -5,-0.3 -2,-0.1 3,-0.1 -0.395 60.6-175.2 -65.4 135.2 -2.7 0.8 -1.2 77 181 A L - 0 0 38 1,-0.4 17,-2.4 -2,-0.1 2,-0.3 0.756 60.7 -29.4 -99.2 -33.4 -3.7 1.7 -4.8 78 182 A A E -D 93 0A 10 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.965 52.0-150.3-175.0 164.2 -6.8 3.9 -4.2 79 183 A H E -D 92 0A 35 13,-2.6 13,-3.2 -2,-0.3 2,-0.3 -0.987 4.5-165.2-152.3 157.9 -9.7 4.4 -1.9 80 184 A A E -D 91 0A 18 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 17.9-129.8-146.1 142.1 -13.2 5.7 -2.1 81 185 A F - 0 0 31 9,-2.0 8,-0.9 6,-0.4 3,-0.1 -0.663 31.6-110.6 -90.2 143.9 -15.8 6.8 0.5 82 186 A G - 0 0 33 -2,-0.3 7,-1.1 6,-0.2 8,-0.2 -0.099 56.5 -56.4 -66.4 169.7 -19.3 5.4 0.5 83 187 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.130 87.8 102.1 -51.3 135.5 -22.4 7.4 -0.4 84 188 A G - 0 0 29 4,-0.2 2,-0.0 -3,-0.1 -3,-0.0 -0.943 69.7 -58.5 165.7 174.5 -22.8 10.5 1.7 85 189 A S S > S- 0 0 121 -2,-0.3 3,-2.3 2,-0.1 2,-0.2 -0.317 98.4 -5.9 -76.9 164.2 -22.4 14.3 1.8 86 190 A G T 3 S+ 0 0 68 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.322 142.0 12.2 60.8-117.1 -19.1 16.1 1.1 87 191 A I T > S+ 0 0 69 -2,-0.2 3,-2.0 2,-0.1 -6,-0.4 0.661 102.2 115.3 -66.8 -16.6 -16.3 13.6 0.8 88 192 A G T < S+ 0 0 6 -3,-2.3 -4,-0.2 1,-0.3 -6,-0.2 -0.255 81.4 16.7 -54.6 137.5 -18.9 10.8 0.5 89 193 A G T 3 S+ 0 0 0 -7,-1.1 -1,-0.3 -8,-0.9 30,-0.1 0.078 92.8 135.7 88.7 -26.1 -18.7 9.1 -2.9 90 194 A D < - 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