==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-MAR-12 4EFS . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,F.BEAU,L.VERA . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.2 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.1 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 0 187 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 128.1 -1.3 -18.7 -15.6 2 106 A G - 0 0 48 119,-0.2 120,-0.0 1,-0.2 121,-0.0 -0.183 360.0 -58.5 -67.0 177.5 -4.6 -18.9 -13.7 3 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.347 57.1-169.7 -69.6 146.4 -6.8 -15.8 -13.6 4 108 A V - 0 0 48 78,-0.1 2,-0.2 -3,-0.1 117,-0.1 -0.964 31.3 -99.0-131.8 150.5 -5.5 -12.6 -12.0 5 109 A W - 0 0 22 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.536 27.1-144.4 -64.3 137.4 -7.0 -9.3 -11.0 6 110 A R S S+ 0 0 250 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.119 78.3 49.2 -89.5 20.8 -6.4 -6.7 -13.8 7 111 A K S S- 0 0 94 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.945 72.1-134.7-153.2 159.8 -6.0 -3.8 -11.3 8 112 A H S S+ 0 0 88 -2,-0.3 36,-2.9 35,-0.1 2,-0.6 0.443 85.3 78.4-105.1 1.8 -4.1 -3.2 -8.2 9 113 A Y E +a 44 0A 127 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.960 61.6 177.3-110.3 120.6 -6.9 -1.6 -6.1 10 114 A I E -a 45 0A 0 34,-2.6 36,-1.8 -2,-0.6 2,-0.3 -0.961 13.6-154.2-126.9 126.6 -9.2 -4.3 -4.7 11 115 A T E -a 46 0A 10 -2,-0.4 44,-2.4 34,-0.2 43,-0.5 -0.740 8.5-168.5-100.7 155.3 -12.1 -3.8 -2.4 12 116 A Y E -ab 47 55A 11 34,-1.9 36,-2.8 -2,-0.3 2,-0.4 -0.953 4.5-162.3-134.7 156.1 -13.6 -6.3 0.0 13 117 A R E - b 0 56A 67 42,-2.2 44,-2.8 -2,-0.3 2,-0.8 -0.997 20.1-133.2-137.1 133.3 -16.8 -6.4 2.0 14 118 A I E - b 0 57A 12 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.835 19.4-168.0 -88.4 113.0 -17.6 -8.5 5.0 15 119 A N - 0 0 74 42,-2.8 2,-0.3 -2,-0.8 43,-0.2 0.805 65.2 -17.7 -72.2 -39.8 -21.1 -9.9 4.2 16 120 A N - 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.963 66.2-116.0-159.2 173.6 -21.8 -11.2 7.7 17 121 A Y - 0 0 47 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.914 23.2-116.7-124.2 141.5 -20.1 -12.1 10.9 18 122 A T > - 0 0 3 -2,-0.4 3,-1.2 1,-0.2 8,-0.1 -0.495 16.9-139.0 -72.4 136.9 -19.6 -15.4 12.7 19 123 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.546 95.2 80.1 -68.7 -7.7 -21.3 -15.4 16.2 20 124 A D T 3 S+ 0 0 42 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.762 98.1 33.2 -68.8 -25.4 -18.1 -17.3 17.4 21 125 A M S < S- 0 0 21 -3,-1.2 2,-0.2 79,-0.1 79,-0.1 -0.825 93.1 -93.0-126.8 159.4 -16.0 -14.0 17.6 22 126 A N >> - 0 0 100 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.538 39.8-119.6 -64.4 146.5 -16.5 -10.4 18.5 23 127 A R H 3> S+ 0 0 143 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.856 114.2 54.8 -61.1 -40.9 -17.2 -8.3 15.3 24 128 A E H 3> S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.818 105.6 52.2 -61.2 -34.1 -14.1 -6.2 16.0 25 129 A D H <> S+ 0 0 56 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.856 109.1 50.3 -74.6 -36.8 -11.9 -9.3 16.1 26 130 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.957 111.1 48.7 -60.9 -46.3 -13.3 -10.6 12.7 27 131 A D H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 113.8 46.0 -58.1 -45.3 -12.6 -7.2 11.2 28 132 A Y H X S+ 0 0 124 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.918 111.5 51.4 -63.8 -48.3 -9.0 -7.2 12.6 29 133 A A H X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.923 114.9 43.2 -58.8 -44.9 -8.3 -10.8 11.5 30 134 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.921 113.0 50.3 -64.8 -47.9 -9.5 -10.0 7.9 31 135 A R H X S+ 0 0 117 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.953 112.5 48.2 -56.4 -43.1 -7.7 -6.7 7.6 32 136 A K H X S+ 0 0 52 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.844 108.8 54.1 -68.6 -32.9 -4.4 -8.3 8.9 33 137 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.919 109.4 46.7 -72.4 -38.1 -4.8 -11.2 6.4 34 138 A F H >X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.895 107.9 58.8 -63.3 -36.1 -5.1 -8.8 3.5 35 139 A Q H 3X S+ 0 0 67 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.854 96.1 62.4 -65.0 -31.8 -2.1 -6.9 4.8 36 140 A V H 3< S+ 0 0 23 -4,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.903 111.1 37.6 -57.4 -44.3 0.1 -10.0 4.6 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.5 6,-0.3 0.842 112.5 55.4 -78.3 -39.5 -0.4 -10.1 0.9 38 142 A S H >< S+ 0 0 35 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.801 97.2 68.0 -60.7 -30.4 -0.3 -6.3 0.3 39 143 A N T 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.662 109.5 33.7 -65.4 -17.9 3.1 -6.3 2.0 40 144 A V T < S+ 0 0 34 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.174 119.0 44.8-121.8 14.4 4.8 -8.2 -0.9 41 145 A T S < S- 0 0 22 -3,-1.0 118,-0.1 2,-0.2 114,-0.1 -0.875 86.0-105.1-142.2 175.5 2.9 -7.0 -3.9 42 146 A P S S+ 0 0 45 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.413 80.9 120.5 -79.3 2.1 1.6 -3.7 -5.5 43 147 A L - 0 0 3 -6,-0.3 2,-0.4 115,-0.1 -2,-0.2 -0.409 44.1-167.0 -73.8 146.5 -2.0 -4.6 -4.4 44 148 A K E -a 9 0A 152 -36,-2.9 -34,-2.6 -2,-0.1 2,-0.4 -0.981 4.9-157.3-125.6 143.9 -4.0 -2.4 -2.0 45 149 A F E -a 10 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.961 7.3-172.9-121.5 137.1 -7.2 -3.5 -0.3 46 150 A S E -a 11 0A 48 -36,-1.8 -34,-1.9 -2,-0.4 2,-0.3 -0.989 20.2-131.5-130.8 139.3 -9.9 -1.3 1.1 47 151 A K E -a 12 0A 73 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.663 26.1-177.5 -84.3 132.4 -13.0 -2.4 3.1 48 152 A I - 0 0 45 -36,-2.8 -34,-0.4 -2,-0.3 3,-0.1 -0.918 21.3-158.0-124.4 158.4 -16.4 -1.1 2.0 49 153 A N S S+ 0 0 111 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.510 79.2 16.5-109.8 -10.3 -19.8 -1.7 3.6 50 154 A T S S+ 0 0 116 2,-0.0 2,-0.1 0, 0.0 -1,-0.0 -0.816 98.2 47.8-142.4-178.3 -22.0 -1.0 0.7 51 155 A G S S- 0 0 66 -2,-0.3 2,-0.7 1,-0.1 -3,-0.0 -0.429 101.2 -29.9 83.3-149.7 -21.5 -0.8 -3.1 52 156 A M - 0 0 172 -2,-0.1 2,-0.3 -40,-0.0 -41,-0.1 -0.815 59.5-174.0-121.1 91.8 -19.6 -3.3 -5.3 53 157 A A - 0 0 22 -2,-0.7 -41,-0.2 1,-0.1 3,-0.1 -0.593 21.3-146.2 -89.2 146.1 -16.8 -5.1 -3.6 54 158 A D S S+ 0 0 29 -43,-0.5 2,-0.7 -2,-0.3 -42,-0.2 0.910 90.2 39.5 -73.2 -41.4 -14.5 -7.4 -5.5 55 159 A I E S-b 12 0A 0 -44,-2.4 -42,-2.2 35,-0.1 2,-0.5 -0.891 73.1-164.8-115.6 112.6 -13.9 -9.9 -2.7 56 160 A L E -b 13 0A 35 -2,-0.7 35,-2.6 -44,-0.2 2,-0.5 -0.846 8.7-150.2 -96.0 128.9 -17.0 -10.7 -0.5 57 161 A V E +bc 14 91A 3 -44,-2.8 -42,-2.8 -2,-0.5 -41,-0.7 -0.884 23.8 178.0 -97.3 121.5 -16.2 -12.5 2.8 58 162 A V E - c 0 92A 20 33,-2.5 35,-3.0 -2,-0.5 2,-0.5 -0.965 26.6-151.6-128.8 143.8 -19.1 -14.8 3.8 59 163 A F E + c 0 93A 9 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.978 38.6 148.3-109.7 126.9 -19.8 -17.2 6.7 60 164 A A E - c 0 94A 18 33,-2.3 35,-2.8 -2,-0.5 36,-0.4 -0.941 32.8-134.5-152.9 165.6 -22.1 -20.0 5.7 61 165 A R - 0 0 148 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.908 57.4 -23.3-130.4 156.3 -23.0 -23.6 6.3 62 166 A G S S+ 0 0 23 -2,-0.3 8,-2.7 7,-0.1 2,-0.6 -0.106 123.2 4.1 54.3-132.9 -23.7 -26.7 4.3 63 167 A A S S+ 0 0 94 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.755 73.4 170.7 -89.9 117.7 -25.1 -26.0 0.8 64 168 A H - 0 0 43 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.069 59.0 -75.8-132.6 33.7 -24.9 -22.2 0.6 65 169 A G S S+ 0 0 82 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.458 103.0 82.3 99.3 7.1 -25.6 -21.4 -3.0 66 170 A D S S- 0 0 25 2,-0.1 -1,-0.4 21,-0.0 -2,-0.2 -0.670 93.2 -94.1-126.0-172.1 -22.6 -22.2 -5.0 67 171 A D S S+ 0 0 154 -2,-0.2 2,-0.7 1,-0.2 -4,-0.0 0.644 104.7 74.3 -84.9 6.1 -21.6 -25.6 -6.3 68 172 A H - 0 0 102 -6,-0.0 -1,-0.2 11,-0.0 -4,-0.1 -0.753 67.7-161.3-124.5 82.7 -19.4 -26.5 -3.4 69 173 A A - 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