==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-08 3F1A . 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) . 8371.0 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 . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.6 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 0 100 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 170.5 -9.3 13.2 -2.5 2 107 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.305 360.0 172.4 -66.7 137.7 -7.4 14.2 -5.6 3 108 A V - 0 0 27 78,-0.1 2,-0.3 -2,-0.0 117,-0.1 -0.945 41.6 -95.4-132.4 158.8 -9.0 13.8 -9.0 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.611 29.2-156.5 -69.4 134.1 -8.0 14.8 -12.5 5 110 A R S S+ 0 0 203 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.079 70.4 61.5-106.1 31.4 -9.7 18.2 -13.3 6 111 A K S S- 0 0 96 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.956 73.0-135.3-151.6 159.1 -9.6 17.7 -17.1 7 112 A H S S+ 0 0 112 -2,-0.3 36,-2.9 35,-0.1 2,-0.7 0.735 84.4 73.1 -96.8 -26.7 -11.1 15.2 -19.5 8 113 A Y E +a 43 0A 179 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.847 63.5 179.5 -95.1 114.7 -8.1 14.5 -21.8 9 114 A I E -a 44 0A 2 34,-3.2 36,-2.0 -2,-0.7 2,-0.3 -0.917 12.2-151.3-117.4 138.3 -5.5 12.4 -20.0 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.3 34,-0.2 43,-0.5 -0.819 9.7-172.4-108.4 151.0 -2.2 11.1 -21.5 11 116 A Y E -ab 46 54A 7 34,-2.5 36,-2.9 -2,-0.3 2,-0.4 -0.960 4.1-163.6-134.3 157.9 -0.2 8.0 -20.6 12 117 A R E - b 0 55A 78 42,-2.1 44,-3.0 -2,-0.3 2,-0.8 -0.999 20.8-132.5-140.1 137.3 3.2 6.8 -21.7 13 118 A I E - b 0 56A 15 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.838 19.6-167.2 -90.6 109.0 4.8 3.4 -21.4 14 119 A N - 0 0 89 42,-2.9 2,-0.3 -2,-0.8 43,-0.2 0.868 66.3 -15.9 -63.5 -42.3 8.2 4.0 -20.0 15 120 A N - 0 0 52 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.958 69.5-113.7-161.2 163.0 9.6 0.6 -20.7 16 121 A Y - 0 0 60 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.907 23.1-119.6-115.6 133.6 8.3 -2.9 -21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.424 14.8-140.5 -61.6 136.1 8.4 -6.1 -19.7 18 123 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.498 93.1 81.8 -73.3 -2.2 10.4 -8.9 -21.5 19 124 A D T 3 S+ 0 0 36 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.661 96.1 35.8 -73.7 -19.0 7.6 -11.2 -20.2 20 125 A M S < S- 0 0 17 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.888 91.3 -89.6-134.5 159.6 5.3 -10.3 -23.1 21 126 A N >> - 0 0 101 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.510 42.2-122.4 -63.1 138.8 5.1 -9.4 -26.7 22 127 A R H 3> S+ 0 0 143 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.901 111.9 51.4 -51.6 -48.1 5.3 -5.6 -27.1 23 128 A E H 3> S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.820 107.2 54.3 -62.1 -31.3 2.0 -5.3 -28.9 24 129 A D H <> S+ 0 0 44 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.840 106.6 50.7 -73.1 -33.9 0.3 -7.3 -26.1 25 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 5,-0.3 0.960 111.7 48.6 -63.7 -50.0 1.6 -4.9 -23.5 26 131 A D H X S+ 0 0 49 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 114.8 44.7 -54.3 -47.4 0.2 -2.0 -25.5 27 132 A Y H X S+ 0 0 129 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.904 110.7 52.3 -69.9 -40.9 -3.1 -3.7 -26.0 28 133 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.923 114.0 44.0 -59.3 -44.5 -3.5 -4.8 -22.3 29 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 113.4 50.8 -68.3 -43.5 -2.9 -1.3 -21.1 30 135 A R H X S+ 0 0 135 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.933 111.3 48.2 -57.9 -48.1 -5.1 0.3 -23.8 31 136 A K H X S+ 0 0 43 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.881 108.8 54.4 -61.6 -38.9 -8.0 -2.1 -22.8 32 137 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.905 109.4 46.9 -63.6 -41.9 -7.5 -1.3 -19.1 33 138 A F H >X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-0.8 0.911 107.4 58.3 -61.9 -41.5 -7.9 2.4 -19.8 34 139 A Q H 3X S+ 0 0 68 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.848 95.2 64.1 -59.4 -36.3 -11.0 1.7 -21.9 35 140 A V H 3< S+ 0 0 19 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.905 111.6 36.4 -51.0 -43.1 -12.6 0.0 -18.9 36 141 A W H X< S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.8 4,-0.3 0.849 112.2 55.6 -84.7 -35.3 -12.6 3.4 -17.1 37 142 A S H >< S+ 0 0 34 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.795 99.2 67.0 -66.1 -23.4 -13.3 5.6 -20.1 38 143 A N T 3< S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.733 111.3 31.1 -62.7 -27.7 -16.4 3.5 -20.6 39 144 A V T < S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.186 120.6 46.9-122.9 13.7 -17.9 4.8 -17.4 40 145 A T S < S- 0 0 20 -3,-0.7 114,-0.1 -4,-0.3 113,-0.0 -0.886 84.9-107.5-142.4 171.2 -16.5 8.3 -17.2 41 146 A P S S+ 0 0 57 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.351 79.1 123.1 -81.4 8.1 -16.0 11.4 -19.4 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.411 45.3-162.3 -75.8 144.8 -12.3 10.7 -19.5 43 148 A K E -a 8 0A 131 -36,-2.9 -34,-3.2 -2,-0.1 2,-0.4 -0.993 7.6-154.7-125.1 133.7 -10.3 10.1 -22.7 44 149 A F E -a 9 0A 33 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.926 9.8-174.7-116.0 132.6 -6.9 8.5 -22.7 45 150 A S E -a 10 0A 63 -36,-2.0 -34,-2.5 -2,-0.4 2,-0.5 -0.991 20.9-134.8-126.6 131.6 -4.2 8.9 -25.3 46 151 A K E -a 11 0A 71 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.716 24.2-166.4 -80.8 127.8 -0.9 7.1 -25.5 47 152 A I - 0 0 44 -36,-2.9 -34,-0.4 -2,-0.5 3,-0.1 -0.860 16.7-155.9-115.0 153.8 2.1 9.4 -26.1 48 153 A N S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.584 75.6 23.3-105.4 -13.0 5.5 8.3 -27.1 49 154 A T S S+ 0 0 111 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.947 96.1 30.6-148.9 159.2 7.6 11.2 -25.9 50 155 A G S S- 0 0 42 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.250 96.6 -30.3 85.4-171.7 7.3 14.0 -23.4 51 156 A M - 0 0 181 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.755 59.6-168.2 -90.9 115.3 5.6 14.3 -20.0 52 157 A A - 0 0 16 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.629 29.2-126.8 -95.9 159.0 2.5 12.2 -19.7 53 158 A D S S+ 0 0 28 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.936 103.1 34.1 -65.3 -46.2 -0.1 12.4 -16.9 54 159 A I E S-b 11 0A 0 -44,-2.3 -42,-2.1 34,-0.1 2,-0.5 -0.941 73.5-163.6-117.6 113.0 0.2 8.6 -16.2 55 160 A L E -b 12 0A 43 -2,-0.6 35,-2.3 -44,-0.2 2,-0.5 -0.855 9.5-150.9 -95.5 125.6 3.6 7.0 -16.6 56 161 A V E -bc 13 90A 2 -44,-3.0 -42,-2.9 -2,-0.5 -41,-0.6 -0.870 22.7-179.7 -96.8 122.4 3.5 3.2 -16.8 57 162 A V E - c 0 91A 20 33,-2.6 35,-2.9 -2,-0.5 2,-0.5 -0.967 25.4-155.3-128.9 137.9 6.7 1.6 -15.5 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.968 37.7 145.8-105.2 127.5 8.0 -2.0 -15.1 59 164 A A E - c 0 93A 18 33,-2.3 35,-2.7 -2,-0.5 36,-0.4 -0.973 34.1-139.4-155.6 162.1 10.6 -2.2 -12.3 60 165 A R - 0 0 134 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.906 60.5 -18.3-128.5 156.9 11.9 -4.5 -9.6 61 166 A G S S+ 0 0 26 -2,-0.3 8,-2.5 7,-0.1 2,-0.4 -0.148 122.8 6.8 52.2-139.0 13.1 -4.0 -6.0 62 167 A A + 0 0 92 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.606 67.9 164.1 -75.2 128.2 14.0 -0.4 -5.1 63 168 A H - 0 0 46 -2,-0.4 -1,-0.1 -4,-0.1 -2,-0.1 0.044 62.1 -80.3-142.5 26.4 13.1 1.8 -8.0 64 169 A G S S+ 0 0 83 1,-0.0 -2,-0.1 0, 0.0 4,-0.0 0.649 103.9 77.0 92.4 22.2 13.1 5.4 -6.7 65 170 A D S S- 0 0 31 21,-0.0 -3,-0.1 0, 0.0 21,-0.0 0.773 94.0 -98.6-128.4 -36.0 9.8 6.0 -4.8 66 171 A D S S+ 0 0 162 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.257 102.8 87.5 116.5 0.6 9.3 4.6 -1.3 67 172 A H - 0 0 101 -6,-0.1 11,-0.0 11,-0.0 -6,-0.0 -0.511 65.0-172.5-120.5 61.3 7.3 1.6 -2.4 68 173 A A - 0 0 64 -2,-0.1 -6,-0.3 1,-0.1 -7,-0.1 -0.233 24.5-117.2 -51.7 139.4 10.2 -0.9 -3.0 69 174 A F - 0 0 13 -8,-2.5 3,-0.1 1,-0.1 -1,-0.1 -0.365 13.5-140.5 -79.4 168.3 9.0 -4.1 -4.7 70 175 A D - 0 0 84 1,-0.5 -1,-0.1 5,-0.4 2,-0.1 0.004 39.2-103.0-126.0 21.0 9.4 -7.5 -2.9 71 176 A G S S- 0 0 19 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.282 78.9 -8.4 77.7-172.5 10.4 -10.1 -5.6 72 177 A K S S+ 0 0 169 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.313 120.0 7.4 -59.4 136.4 8.1 -12.6 -7.1 73 178 A G S S+ 0 0 28 1,-0.2 -3,-0.3 2,-0.1 2,-0.2 -0.280 98.9 62.0 85.7-174.1 4.7 -12.7 -5.3 74 179 A G S S+ 0 0 66 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.391 104.3 32.1 61.1-122.8 3.3 -10.4 -2.7 75 180 A I + 0 0 88 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.530 62.3 176.0 -69.5 125.5 3.0 -6.9 -4.1 76 181 A L - 0 0 32 1,-0.4 17,-2.7 -2,-0.3 2,-0.3 0.751 62.4 -21.1 -97.2 -33.9 2.3 -7.1 -7.9 77 182 A A E -D 92 0A 13 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.969 53.1-160.0-168.4 161.0 2.0 -3.4 -8.6 78 183 A H E -D 91 0A 22 13,-2.3 13,-3.3 -2,-0.3 2,-0.3 -0.976 7.9-166.7-151.6 159.2 1.2 0.0 -7.1 79 184 A A E -D 90 0A 19 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.967 17.2-123.0-146.9 160.1 0.1 3.4 -8.4 80 185 A F - 0 0 34 9,-2.4 8,-0.6 -2,-0.3 3,-0.1 -0.841 29.4-112.8-108.7 142.9 -0.2 7.0 -7.3 81 186 A G - 0 0 34 -2,-0.4 7,-1.2 6,-0.2 8,-0.2 -0.133 56.6 -60.7 -65.3 166.3 -3.4 9.1 -7.1 82 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.147 85.2 100.9 -51.6 138.9 -3.9 12.2 -9.4 83 188 A G - 0 0 35 4,-0.2 -3,-0.1 -30,-0.1 -79,-0.0 -0.911 69.9 -59.7 163.6 174.0 -1.4 14.9 -9.1 84 189 A S S > S+ 0 0 116 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.223 100.0 3.3 -71.0 166.6 1.7 16.5 -10.6 85 190 A G T 3 S+ 0 0 65 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.372 141.9 4.9 64.8-121.4 5.0 14.6 -11.1 86 191 A I T > S+ 0 0 95 -2,-0.2 3,-2.4 2,-0.1 -6,-0.3 0.609 101.1 121.3 -72.8 -13.2 4.7 11.0 -10.0 87 192 A G T < S+ 0 0 5 -3,-2.2 -4,-0.2 1,-0.3 -32,-0.2 -0.252 79.0 17.0 -49.8 134.5 1.0 11.5 -9.4 88 193 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.6 30,-0.1 0.142 92.6 137.8 89.4 -20.0 -1.0 9.1 -11.6 89 194 A D < - 0 0 13 -3,-2.4 -9,-2.4 -8,-0.2 2,-0.5 -0.261 39.5-153.4 -72.2 149.0 1.9 6.8 -12.3 90 195 A A E -cD 56 79A 1 -35,-2.3 -33,-2.6 -11,-0.2 2,-0.4 -0.986 7.2-164.4-126.4 124.7 1.5 3.1 -12.2 91 196 A H E -cD 57 78A 15 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.4 -0.926 1.9-160.5-115.4 133.7 4.4 0.7 -11.5 92 197 A F E -cD 58 77A 1 -35,-2.9 -33,-2.3 -2,-0.4 2,-0.5 -0.943 26.2-116.4-118.0 130.3 4.4 -3.0 -12.2 93 198 A D E > -c 59 0A 0 -17,-2.7 3,-1.9 -2,-0.4 -33,-0.2 -0.513 16.4-156.8 -70.3 114.4 6.8 -5.4 -10.4 94 199 A E T 3 S+ 0 0 15 -35,-2.7 -34,-0.2 -2,-0.5 -1,-0.2 0.699 88.1 73.9 -66.5 -16.8 9.1 -7.0 -13.0 95 200 A D T 3 S+ 0 0 50 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.601 86.0 80.0 -74.7 -8.4 9.7 -9.9 -10.6 96 201 A E S < S- 0 0 8 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.533 89.6-120.0 -81.7 163.4 6.2 -11.0 -11.6 97 202 A F - 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