==== 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 INHIBTIOR 13-SEP-12 4H30 . 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 . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 52.5 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 20.8 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 1 1 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 0 148 0, 0.0 83,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 150.9 -14.0 -1.4 -15.5 2 106 A G - 0 0 39 81,-1.7 3,-0.0 1,-0.0 4,-0.0 -0.896 360.0 -79.9-160.7-172.2 -17.7 -0.4 -15.3 3 107 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.772 103.9 12.8 -73.7 -27.6 -20.1 2.5 -15.5 4 108 A V S S- 0 0 45 78,-0.1 2,-0.2 79,-0.1 117,-0.1 -0.966 83.7 -91.2-145.8 155.5 -19.6 3.8 -12.0 5 109 A W - 0 0 19 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.552 34.3-140.7 -62.0 137.4 -17.3 3.6 -8.9 6 110 A R S S+ 0 0 236 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.299 83.0 46.8 -89.0 9.8 -18.9 0.9 -6.7 7 111 A K S S- 0 0 92 1,-0.1 -2,-0.1 0, 0.0 36,-0.0 -0.933 70.5-139.6-145.4 162.0 -18.1 3.0 -3.7 8 112 A H S S+ 0 0 87 -2,-0.3 36,-3.4 35,-0.1 2,-0.8 0.628 84.1 79.8-102.5 -17.7 -18.5 6.6 -2.6 9 113 A Y E +a 44 0A 107 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.848 63.1 175.0 -94.0 110.8 -15.1 7.1 -0.8 10 114 A I E -a 45 0A 0 34,-3.0 36,-1.8 -2,-0.8 2,-0.3 -0.969 16.3-151.3-125.8 128.1 -12.6 7.7 -3.6 11 115 A T E -a 46 0A 13 -2,-0.4 44,-2.7 34,-0.2 43,-0.3 -0.666 9.3-167.1 -96.6 152.1 -8.9 8.5 -3.1 12 116 A Y E -ab 47 55A 11 34,-2.4 36,-2.8 -2,-0.3 2,-0.4 -0.972 4.1-164.9-134.2 155.2 -6.6 10.5 -5.4 13 117 A R E - b 0 56A 81 42,-2.1 44,-3.0 -2,-0.3 2,-0.9 -0.999 22.1-134.0-137.5 134.8 -2.9 11.0 -5.6 14 118 A I E - b 0 57A 12 -2,-0.4 44,-0.2 34,-0.4 3,-0.1 -0.812 23.5-168.1 -86.7 107.3 -0.9 13.6 -7.5 15 119 A N - 0 0 84 42,-2.7 2,-0.3 -2,-0.9 43,-0.2 0.859 62.7 -15.6 -67.3 -41.0 1.7 11.4 -9.0 16 120 A N S S- 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.951 70.5-111.5-159.4 169.1 4.0 14.1 -10.2 17 121 A Y - 0 0 45 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.909 18.2-122.8-121.2 137.2 4.0 17.8 -10.8 18 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.524 16.2-141.0 -66.6 135.5 4.1 20.0 -13.9 19 123 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.543 91.8 82.7 -72.5 -4.0 7.0 22.5 -13.8 20 124 A D T 3 S+ 0 0 44 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.743 97.1 30.7 -69.9 -25.3 4.6 25.1 -15.4 21 125 A M S < S- 0 0 20 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.882 93.1 -88.5-133.4 159.3 3.0 26.0 -12.0 22 126 A N >> - 0 0 115 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.470 41.3-123.4 -62.9 139.0 3.8 26.3 -8.3 23 127 A R H 3> S+ 0 0 154 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.859 111.6 53.8 -55.5 -37.0 3.1 22.9 -6.7 24 128 A E H 3> S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.825 107.0 51.7 -69.0 -29.7 0.7 24.4 -4.2 25 129 A D H <> S+ 0 0 59 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.854 109.2 50.2 -75.2 -34.3 -1.3 25.9 -7.1 26 130 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.950 110.7 49.8 -62.4 -49.3 -1.5 22.5 -8.7 27 131 A D H X S+ 0 0 33 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 113.2 47.0 -55.1 -46.2 -2.7 21.0 -5.4 28 132 A Y H X S+ 0 0 121 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.925 110.0 51.4 -64.0 -46.1 -5.3 23.7 -5.1 29 133 A A H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.916 114.7 43.6 -58.3 -44.2 -6.6 23.4 -8.7 30 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.926 113.1 50.9 -69.1 -45.7 -7.0 19.6 -8.3 31 135 A R H X S+ 0 0 119 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.931 113.0 46.0 -55.5 -46.2 -8.6 19.8 -4.9 32 136 A K H X S+ 0 0 62 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.852 108.5 56.7 -68.8 -33.2 -11.1 22.4 -6.2 33 137 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.916 109.1 45.5 -64.3 -43.5 -11.8 20.3 -9.3 34 138 A F H >X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 3,-0.6 0.899 108.6 58.0 -62.3 -39.2 -12.8 17.3 -7.1 35 139 A Q H 3X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.842 95.1 64.4 -62.1 -34.5 -14.9 19.6 -4.9 36 140 A V H 3< S+ 0 0 19 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.917 111.5 36.5 -53.4 -43.2 -16.9 20.7 -8.0 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.6 6,-0.3 0.870 113.9 53.4 -82.4 -37.0 -18.2 17.1 -8.2 38 142 A S H >< S+ 0 0 37 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.814 98.6 68.7 -66.7 -25.0 -18.4 16.3 -4.5 39 143 A N T 3< S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 111.7 29.5 -62.1 -23.0 -20.6 19.4 -4.2 40 144 A V T < S+ 0 0 32 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.168 119.5 48.3-127.1 15.1 -23.4 17.8 -6.2 41 145 A T S < S- 0 0 21 -3,-0.9 118,-0.1 -4,-0.2 114,-0.1 -0.908 84.1-107.1-144.0 170.4 -23.0 14.1 -5.4 42 146 A P S S+ 0 0 57 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.314 79.0 123.3 -81.7 9.9 -22.6 11.7 -2.5 43 147 A L - 0 0 6 -6,-0.3 2,-0.5 115,-0.1 -2,-0.2 -0.494 46.9-159.4 -77.1 140.7 -19.0 11.2 -3.6 44 148 A K E -a 9 0A 115 -36,-3.4 -34,-3.0 -2,-0.2 2,-0.5 -0.978 4.6-159.7-123.0 124.6 -16.2 11.9 -1.1 45 149 A F E -a 10 0A 31 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.895 8.1-176.2-110.9 132.1 -12.6 12.6 -2.3 46 150 A S E -a 11 0A 36 -36,-1.8 -34,-2.4 -2,-0.5 2,-0.4 -0.991 20.1-136.0-127.2 130.1 -9.5 12.3 -0.2 47 151 A K E -a 12 0A 72 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.653 22.4-167.8 -78.4 132.5 -6.0 13.1 -1.3 48 152 A I - 0 0 37 -36,-2.8 -34,-0.4 -2,-0.4 5,-0.1 -0.948 19.3-168.6-122.5 149.0 -3.3 10.6 -0.3 49 153 A N S S+ 0 0 116 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.478 77.8 35.4-110.3 -10.5 0.5 11.0 -0.4 50 154 A T S S+ 0 0 116 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.971 99.6 28.7-142.0 152.3 1.5 7.4 0.2 51 155 A G S S- 0 0 40 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.208 97.9 -45.4 87.4 178.1 -0.1 4.2 -0.9 52 156 A M - 0 0 190 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.767 55.6-160.1 -94.3 124.2 -2.2 3.4 -3.9 53 157 A A - 0 0 23 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.599 23.2-128.3 -97.2 159.7 -5.0 5.8 -4.8 54 158 A D S S+ 0 0 33 -43,-0.3 2,-0.7 1,-0.2 -42,-0.2 0.949 101.1 38.6 -67.8 -52.2 -8.1 5.2 -6.9 55 159 A I E S-b 12 0A 0 -44,-2.7 -42,-2.1 35,-0.1 2,-0.5 -0.898 74.9-164.0-106.7 108.8 -7.5 8.2 -9.2 56 160 A L E -b 13 0A 42 -2,-0.7 35,-2.5 -44,-0.2 2,-0.5 -0.831 8.4-150.4 -91.1 127.3 -3.9 8.8 -10.1 57 161 A V E +bc 14 91A 2 -44,-3.0 -42,-2.7 -2,-0.5 -41,-0.7 -0.881 23.8 179.4 -98.6 122.1 -3.2 12.3 -11.5 58 162 A V E - c 0 92A 19 33,-2.6 35,-2.9 -2,-0.5 2,-0.5 -0.958 26.8-154.1-130.5 139.5 -0.3 12.3 -13.9 59 163 A F E + c 0 93A 8 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.973 37.8 147.2-108.4 127.3 1.5 14.8 -16.1 60 164 A A E - c 0 94A 17 33,-2.3 35,-2.7 -2,-0.5 36,-0.4 -0.974 33.5-138.5-153.2 162.2 3.2 13.1 -19.0 61 165 A R - 0 0 135 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.896 59.6 -18.0-127.2 158.8 4.2 13.7 -22.6 62 166 A G S S+ 0 0 23 -2,-0.3 8,-2.6 7,-0.1 2,-0.5 -0.104 121.6 3.4 54.2-143.0 4.1 11.7 -25.8 63 167 A A + 0 0 90 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.672 68.9 169.9 -76.8 121.9 3.8 7.9 -25.4 64 168 A H - 0 0 44 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 -0.217 59.8 -80.7-135.9 39.7 3.4 7.3 -21.7 65 169 A G S S+ 0 0 82 1,-0.1 -2,-0.1 2,-0.0 4,-0.0 0.681 108.4 84.6 79.9 22.5 2.5 3.6 -21.3 66 170 A D S S- 0 0 13 21,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.284 94.6-111.7-136.3 11.3 -1.2 3.5 -22.0 67 171 A D S S+ 0 0 167 1,-0.1 2,-0.2 0, 0.0 -4,-0.1 0.630 96.2 95.6 65.8 16.3 -1.6 3.3 -25.7 68 172 A H - 0 0 110 -6,-0.1 -1,-0.1 11,-0.0 -4,-0.0 -0.643 65.4-163.4-128.2 74.6 -3.1 6.8 -26.0 69 173 A A - 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