==== 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 3F17 . 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) . 8451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 53.8 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 . 11 7.0 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 0 107 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-180.0 8.6 12.4 2.3 2 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.301 360.0-175.3 -70.0 149.7 7.1 14.0 5.5 3 108 A V - 0 0 48 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.955 35.5 -95.2-135.5 158.2 8.7 13.6 9.0 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.593 28.6-155.2 -70.5 135.8 7.8 14.7 12.5 5 110 A R S S+ 0 0 230 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.095 70.8 58.6-105.9 32.2 9.4 18.0 13.3 6 111 A K S S- 0 0 96 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.955 72.9-134.2-155.2 159.9 9.5 17.6 17.1 7 112 A H S S+ 0 0 113 -2,-0.3 36,-2.8 1,-0.1 2,-0.7 0.738 84.8 74.0 -97.2 -27.2 10.9 15.0 19.5 8 113 A Y E +a 43 0A 182 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.836 63.6 179.9 -93.7 113.7 8.0 14.3 21.8 9 114 A I E -a 44 0A 2 34,-3.0 36,-1.9 -2,-0.7 2,-0.3 -0.918 11.8-152.0-116.8 135.6 5.4 12.1 20.0 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.4 34,-0.2 43,-0.5 -0.805 9.6-172.4-106.4 150.7 2.2 10.9 21.5 11 116 A Y E -ab 46 54A 7 34,-2.3 36,-2.8 -2,-0.3 2,-0.3 -0.958 3.8-164.2-133.8 157.8 0.1 7.8 20.7 12 117 A R E - b 0 55A 58 42,-2.0 44,-3.0 -2,-0.3 2,-0.9 -0.998 21.1-132.2-140.5 139.0 -3.3 6.6 21.7 13 118 A I E - b 0 56A 11 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.839 19.7-168.0 -93.2 106.9 -4.9 3.2 21.5 14 119 A N - 0 0 69 42,-2.8 2,-0.3 -2,-0.9 43,-0.2 0.867 66.6 -15.4 -60.9 -42.9 -8.3 3.9 20.1 15 120 A N - 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.959 69.3-113.8-161.1 163.7 -9.7 0.4 20.7 16 121 A Y - 0 0 62 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.909 22.8-120.4-116.5 134.3 -8.4 -3.0 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.436 14.6-140.5 -63.6 137.5 -8.5 -6.2 19.6 18 123 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.512 92.8 82.2 -75.8 -1.3 -10.5 -9.0 21.4 19 124 A D T 3 S+ 0 0 39 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.654 96.5 35.1 -71.5 -20.7 -7.8 -11.4 20.1 20 125 A M S < S- 0 0 15 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.879 91.5 -90.0-134.1 160.6 -5.4 -10.5 23.0 21 126 A N >> - 0 0 103 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.514 42.1-121.9 -65.5 140.8 -5.2 -9.6 26.6 22 127 A R H 3> S+ 0 0 141 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.911 112.0 51.8 -53.9 -46.3 -5.4 -5.8 27.0 23 128 A E H 3> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.827 107.1 54.2 -63.0 -31.0 -2.1 -5.6 28.8 24 129 A D H <> S+ 0 0 41 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.842 106.9 50.4 -72.6 -34.1 -0.4 -7.6 26.0 25 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.3 5,-0.3 0.953 111.7 48.8 -64.2 -48.7 -1.7 -5.1 23.4 26 131 A D H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.924 114.5 45.1 -55.8 -47.2 -0.3 -2.2 25.5 27 132 A Y H X S+ 0 0 132 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.910 110.6 52.1 -69.1 -41.3 3.0 -4.0 25.9 28 133 A A H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.924 114.0 44.1 -58.5 -45.1 3.4 -5.0 22.2 29 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 113.0 51.0 -68.8 -43.4 2.7 -1.4 21.1 30 135 A R H X S+ 0 0 138 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.937 111.5 47.8 -57.5 -48.2 5.0 0.1 23.7 31 136 A K H X S+ 0 0 78 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.874 108.5 54.9 -62.7 -37.2 7.8 -2.3 22.7 32 137 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.916 108.8 47.3 -64.7 -41.6 7.3 -1.5 19.0 33 138 A F H >X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 3,-0.8 0.908 107.5 57.8 -62.0 -41.0 7.7 2.3 19.7 34 139 A Q H 3X S+ 0 0 55 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.848 95.2 64.5 -60.1 -35.2 10.8 1.5 21.8 35 140 A V H 3< S+ 0 0 18 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.899 111.2 36.9 -52.0 -41.6 12.4 -0.2 18.8 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.8 4,-0.3 0.838 112.3 54.7 -86.5 -34.9 12.4 3.2 17.0 37 142 A S H >< S+ 0 0 33 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.775 98.5 68.4 -68.2 -21.4 13.2 5.4 19.9 38 143 A N T 3< S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.748 111.2 30.7 -60.2 -28.2 16.3 3.2 20.5 39 144 A V T < S+ 0 0 29 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.171 120.8 46.6-124.2 13.1 17.8 4.6 17.2 40 145 A T S < S- 0 0 19 -3,-0.7 114,-0.1 -4,-0.3 118,-0.0 -0.895 85.2-106.9-142.5 171.1 16.4 8.1 17.0 41 146 A P S S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.391 78.9 122.2 -79.9 6.1 16.0 11.2 19.3 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.375 46.3-161.0 -73.7 145.9 12.2 10.5 19.4 43 148 A K E -a 8 0A 130 -36,-2.8 -34,-3.0 -2,-0.1 2,-0.4 -0.999 8.6-155.5-124.9 130.1 10.4 9.9 22.7 44 149 A F E -a 9 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.883 10.9-177.2-112.3 137.0 7.0 8.2 22.6 45 150 A S E -a 10 0A 65 -36,-1.9 -34,-2.3 -2,-0.4 2,-0.4 -0.999 22.4-131.6-134.2 134.8 4.2 8.6 25.3 46 151 A K E -a 11 0A 70 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.699 23.7-167.7 -82.4 129.5 0.8 6.9 25.5 47 152 A I - 0 0 45 -36,-2.8 -34,-0.4 -2,-0.4 3,-0.1 -0.866 16.2-153.8-116.4 154.3 -2.1 9.2 26.2 48 153 A N S S+ 0 0 118 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.486 75.3 22.0-109.5 -5.0 -5.6 8.0 27.2 49 154 A T S S+ 0 0 119 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.969 95.4 31.3-153.3 159.9 -7.7 10.9 25.9 50 155 A G S S- 0 0 50 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.1 -0.265 97.1 -29.0 89.1-171.0 -7.4 13.8 23.4 51 156 A M - 0 0 180 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.747 60.3-169.8 -90.5 111.3 -5.7 14.1 20.0 52 157 A A - 0 0 14 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.589 30.4-125.6 -90.9 160.5 -2.5 12.0 19.8 53 158 A D S S+ 0 0 28 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.933 103.6 34.5 -65.5 -46.6 -0.0 12.2 17.0 54 159 A I E S-b 11 0A 0 -44,-2.4 -42,-2.0 34,-0.1 2,-0.5 -0.941 73.5-164.5-117.7 111.1 -0.4 8.5 16.3 55 160 A L E -b 12 0A 36 -2,-0.6 35,-2.4 -44,-0.2 2,-0.5 -0.856 9.7-150.8 -94.4 125.5 -3.8 6.8 16.7 56 161 A V E +bc 13 90A 2 -44,-3.0 -42,-2.8 -2,-0.5 -41,-0.7 -0.873 22.4 179.4 -97.6 122.5 -3.7 3.0 16.9 57 162 A V E - c 0 91A 19 33,-2.5 35,-2.9 -2,-0.5 2,-0.5 -0.969 25.5-154.7-129.4 137.9 -6.9 1.5 15.6 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.972 37.6 147.3-105.4 126.4 -8.2 -2.1 15.1 59 164 A A E - c 0 93A 18 33,-2.3 35,-2.6 -2,-0.5 36,-0.4 -0.972 33.6-138.9-152.2 161.4 -10.8 -2.2 12.4 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.900 60.4 -19.1-125.5 157.8 -12.2 -4.5 9.7 61 166 A G S S+ 0 0 24 -2,-0.3 8,-2.2 7,-0.1 2,-0.4 -0.138 122.9 5.8 53.5-139.9 -13.3 -4.0 6.1 62 167 A A S S+ 0 0 92 6,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.631 70.3 170.2 -73.4 129.2 -14.2 -0.4 5.2 63 168 A H - 0 0 41 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 -0.026 58.3 -78.4-143.2 34.9 -13.4 1.8 8.1 64 169 A G S S+ 0 0 86 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.471 103.2 85.1 90.9 1.1 -13.6 5.5 7.2 65 170 A D S S- 0 0 26 2,-0.1 -1,-0.4 21,-0.0 -2,-0.3 -0.612 93.1-101.9-111.2-175.7 -10.4 6.1 5.3 66 171 A D S S+ 0 0 161 -2,-0.2 2,-0.6 1,-0.1 -4,-0.0 0.390 101.7 82.6 -88.2 9.8 -10.1 5.4 1.6 67 172 A H - 0 0 98 -6,-0.0 -1,-0.1 11,-0.0 -2,-0.1 -0.821 65.8-162.7-125.3 91.8 -8.2 2.2 2.3 68 173 A A - 0 0 65 -2,-0.6 -6,-0.2 -6,-0.1 2,-0.1 -0.362 15.0-124.8 -78.9 149.5 -10.3 -0.9 3.1 69 174 A F - 0 0 13 -8,-2.2 3,-0.1 -2,-0.1 -1,-0.1 -0.437 12.5-142.4 -87.0 167.5 -9.2 -4.2 4.7 70 175 A D - 0 0 83 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 0.023 38.2-102.8-128.0 22.3 -9.8 -7.5 3.0 71 176 A G S S- 0 0 21 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.275 79.0 -8.5 77.1-170.9 -10.7 -10.1 5.6 72 177 A K S S+ 0 0 170 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.323 120.1 10.7 -63.4 137.8 -8.3 -12.8 7.0 73 178 A G S S+ 0 0 30 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.252 100.2 57.8 84.4-177.8 -5.0 -12.9 5.1 74 179 A G S S+ 0 0 65 -2,-0.1 2,-0.2 -5,-0.1 -1,-0.2 -0.393 103.9 33.1 61.2-125.9 -3.6 -10.5 2.5 75 180 A I + 0 0 85 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.434 60.9 176.5 -66.7 127.7 -3.4 -6.9 4.0 76 181 A L - 0 0 37 1,-0.4 17,-2.7 -2,-0.2 2,-0.3 0.758 60.3 -26.3 -99.4 -34.4 -2.6 -7.1 7.7 77 182 A A E -D 92 0A 11 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.967 51.9-156.9-172.6 161.0 -2.3 -3.4 8.6 78 183 A H E -D 91 0A 38 13,-2.3 13,-3.2 -2,-0.3 2,-0.3 -0.979 6.3-163.2-151.4 161.5 -1.5 0.0 7.1 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 16.8-124.6-148.0 152.4 -0.3 3.4 8.4 80 185 A F - 0 0 38 9,-2.4 8,-0.6 -2,-0.3 3,-0.1 -0.772 30.6-112.8 -99.9 142.6 -0.1 7.0 7.3 81 186 A G - 0 0 33 -2,-0.3 7,-1.3 6,-0.2 8,-0.2 -0.114 55.9 -60.2 -65.1 166.9 3.1 9.0 7.1 82 187 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.122 85.5 96.5 -51.9 140.8 3.7 12.0 9.4 83 188 A G S S- 0 0 35 4,-0.2 -3,-0.0 -30,-0.1 -79,-0.0 -0.901 70.8 -55.6 159.7 175.7 1.2 14.9 9.2 84 189 A S S > S+ 0 0 115 -2,-0.3 3,-2.3 2,-0.1 2,-0.2 -0.215 99.5 0.7 -71.3 166.3 -1.9 16.4 10.8 85 190 A G T 3 S+ 0 0 63 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.354 141.4 7.2 62.5-120.8 -5.2 14.6 11.3 86 191 A I T > S+ 0 0 75 -2,-0.2 3,-2.4 2,-0.1 -6,-0.3 0.667 102.3 119.4 -68.3 -17.4 -5.0 11.0 10.0 87 192 A G T < S+ 0 0 8 -3,-2.3 -4,-0.2 1,-0.3 -32,-0.2 -0.200 79.4 15.6 -50.3 137.3 -1.2 11.5 9.5 88 193 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.3 -8,-0.6 30,-0.1 0.133 92.2 138.8 84.8 -20.8 0.8 9.0 11.6 89 194 A D < - 0 0 17 -3,-2.4 -9,-2.4 -8,-0.2 2,-0.5 -0.250 39.4-152.8 -70.3 148.4 -2.2 6.8 12.4 90 195 A A E -cD 56 79A 1 -35,-2.4 -33,-2.5 -11,-0.2 2,-0.4 -0.983 8.2-165.8-125.5 123.0 -1.7 3.0 12.3 91 196 A H E -cD 57 78A 13 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.4 -0.934 2.6-160.8-115.8 134.3 -4.6 0.6 11.5 92 197 A F E -cD 58 77A 1 -35,-2.9 -33,-2.3 -2,-0.4 2,-0.6 -0.934 26.4-116.5-118.8 131.3 -4.6 -3.1 12.1 93 198 A D E > -c 59 0A 0 -17,-2.7 3,-2.0 -2,-0.4 -33,-0.2 -0.550 16.8-156.7 -73.1 113.9 -7.0 -5.4 10.4 94 199 A E T 3 S+ 0 0 15 -35,-2.6 -34,-0.2 -2,-0.6 -1,-0.2 0.684 87.9 73.8 -66.3 -16.5 -9.3 -7.0 13.0 95 200 A D T 3 S+ 0 0 52 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.613 86.0 79.9 -74.6 -8.4 -10.0 -9.9 10.6 96 201 A E S < S- 0 0 9 -3,-2.0 2,-0.7 -20,-0.2 -77,-0.1 -0.517 90.0-119.9 -81.8 163.8 -6.4 -11.1 11.4 97 202 A F - 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