==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-07 2OXW . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE,I.BERTINI,M.FRAGAI,C.LUCHINAT,M.MALETTA,K.J.YEO . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.7 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.3 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 . 1 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 0.000 360.0 360.0 360.0 169.3 9.0 12.7 2.4 2 107 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.278 360.0 179.8 -68.0 145.5 7.3 14.1 5.6 3 108 A V - 0 0 34 78,-0.1 2,-0.2 79,-0.0 117,-0.1 -0.951 37.2 -95.2-135.8 156.9 8.8 13.7 9.0 4 109 A W - 0 0 25 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.571 27.9-156.7 -68.3 139.0 7.8 14.8 12.5 5 110 A R S S+ 0 0 220 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.008 70.7 62.0-109.7 23.8 9.5 18.1 13.4 6 111 A K S S- 0 0 97 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.940 72.1-137.6-142.9 160.1 9.3 17.7 17.2 7 112 A H S S+ 0 0 113 -2,-0.3 36,-2.7 1,-0.1 2,-0.7 0.734 84.2 73.4 -96.6 -26.8 10.9 15.1 19.5 8 113 A Y E +a 43 0A 181 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.844 64.2 179.8 -93.4 115.1 7.9 14.4 21.9 9 114 A I E -a 44 0A 2 34,-3.2 36,-2.0 -2,-0.7 2,-0.3 -0.914 12.0-151.9-117.9 136.9 5.4 12.2 20.1 10 115 A T E -a 45 0A 38 -2,-0.4 44,-2.5 34,-0.2 43,-0.6 -0.814 9.1-170.8-108.4 150.7 2.1 11.0 21.6 11 116 A Y E -ab 46 54A 7 34,-2.3 36,-2.7 -2,-0.3 2,-0.3 -0.958 3.3-164.5-132.7 157.8 0.1 7.9 20.8 12 117 A R E - b 0 55A 74 42,-2.0 44,-3.1 -2,-0.3 2,-0.8 -0.996 20.5-134.6-141.5 135.4 -3.3 6.7 21.8 13 118 A I E - b 0 56A 12 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.846 19.7-167.5 -91.8 106.3 -4.9 3.2 21.5 14 119 A N - 0 0 84 42,-2.9 2,-0.3 -2,-0.8 43,-0.2 0.845 66.0 -14.0 -62.6 -41.0 -8.4 4.0 20.2 15 120 A N S S- 0 0 52 41,-0.6 2,-0.4 -3,-0.1 -1,-0.2 -0.960 70.3-113.0-160.8 164.1 -9.8 0.6 20.8 16 121 A Y - 0 0 61 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.912 21.8-120.9-116.9 134.7 -8.6 -2.9 21.7 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.431 15.3-141.1 -64.5 136.6 -8.7 -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 0.526 92.2 82.3 -75.1 -2.5 -10.6 -8.9 21.4 19 124 A D T 3 S+ 0 0 39 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.665 96.5 35.1 -70.5 -20.8 -8.0 -11.3 20.2 20 125 A M S < S- 0 0 14 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.879 92.2 -89.4-133.7 160.3 -5.6 -10.5 23.0 21 126 A N >> - 0 0 104 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.508 42.3-121.3 -64.1 141.4 -5.4 -9.5 26.7 22 127 A R H 3> S+ 0 0 144 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.898 112.1 51.9 -53.6 -46.1 -5.7 -5.7 27.1 23 128 A E H 3> S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.821 106.9 54.5 -64.3 -30.4 -2.3 -5.5 28.9 24 129 A D H <> S+ 0 0 41 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.842 106.5 50.6 -72.7 -34.1 -0.7 -7.5 26.1 25 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.958 111.7 48.4 -63.4 -49.8 -1.9 -5.0 23.5 26 131 A D H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.924 114.6 45.4 -54.6 -47.5 -0.5 -2.2 25.5 27 132 A Y H X S+ 0 0 138 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.924 110.7 51.7 -68.4 -43.9 2.8 -3.9 26.0 28 133 A A H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 114.2 44.3 -57.6 -44.4 3.2 -4.9 22.3 29 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.924 113.5 50.1 -68.6 -43.9 2.5 -1.4 21.1 30 135 A R H X S+ 0 0 137 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.930 111.6 48.5 -58.5 -46.6 4.8 0.2 23.8 31 136 A K H X S+ 0 0 58 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.869 108.2 54.8 -63.0 -37.1 7.6 -2.2 22.8 32 137 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.906 108.5 47.9 -65.2 -41.2 7.2 -1.4 19.1 33 138 A F H >X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.900 107.0 57.8 -63.1 -39.7 7.6 2.3 19.8 34 139 A Q H 3X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.844 95.2 64.5 -60.2 -35.1 10.7 1.6 21.9 35 140 A V H 3< S+ 0 0 15 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.906 111.1 37.0 -52.5 -42.1 12.3 -0.1 18.9 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.6 4,-0.3 0.849 112.0 55.5 -85.2 -36.4 12.3 3.2 17.1 37 142 A S H >< S+ 0 0 32 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.806 99.3 66.5 -63.9 -25.2 13.1 5.5 20.1 38 143 A N T 3< S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.726 110.9 32.6 -60.9 -26.8 16.2 3.3 20.6 39 144 A V T < S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.206 120.6 44.6-123.1 13.3 17.7 4.6 17.4 40 145 A T S < S- 0 0 20 -3,-0.8 114,-0.1 -4,-0.3 118,-0.0 -0.890 84.7-106.2-142.3 172.6 16.3 8.2 17.2 41 146 A P S S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 0.407 79.5 122.3 -78.4 4.3 15.9 11.3 19.4 42 147 A L - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.355 46.4-160.9 -73.8 145.6 12.1 10.6 19.5 43 148 A K E -a 8 0A 129 -36,-2.7 -34,-3.2 -2,-0.1 2,-0.4 -0.996 7.4-156.3-124.0 132.7 10.2 10.0 22.8 44 149 A F E -a 9 0A 30 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.924 10.5-177.4-115.7 134.4 6.9 8.3 22.8 45 150 A S E -a 10 0A 64 -36,-2.0 -34,-2.3 -2,-0.4 2,-0.4 -0.994 22.3-130.7-132.2 136.1 4.1 8.7 25.4 46 151 A K E -a 11 0A 71 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.696 24.2-170.5 -83.3 130.5 0.7 7.0 25.6 47 152 A I - 0 0 46 -36,-2.7 -34,-0.4 -2,-0.4 5,-0.1 -0.871 17.4-157.0-119.3 156.0 -2.3 9.2 26.3 48 153 A N S S+ 0 0 119 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.422 73.7 31.6-113.6 -2.0 -5.8 8.1 27.1 49 154 A T S S+ 0 0 112 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.975 96.0 19.8-150.1 160.1 -7.8 11.2 26.0 50 155 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.212 99.8 -27.4 77.8-167.4 -7.7 13.9 23.4 51 156 A M - 0 0 171 4,-0.0 2,-0.2 -40,-0.0 -41,-0.0 -0.770 57.7-170.3 -93.7 117.3 -5.8 14.1 20.2 52 157 A A - 0 0 12 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.560 30.9-123.0 -90.9 164.4 -2.6 12.0 19.9 53 158 A D S S+ 0 0 27 -43,-0.6 2,-0.6 1,-0.3 -42,-0.2 0.938 104.7 36.1 -67.8 -50.3 -0.1 12.3 17.1 54 159 A I E S-b 11 0A 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.5 -0.918 74.7-165.1-112.9 107.9 -0.4 8.6 16.3 55 160 A L E -b 12 0A 41 -2,-0.6 35,-2.4 -44,-0.2 2,-0.5 -0.836 9.3-151.2 -92.3 127.0 -3.8 7.0 16.8 56 161 A V E +bc 13 90A 2 -44,-3.1 -42,-2.9 -2,-0.5 -41,-0.6 -0.880 21.5 179.2-100.9 123.8 -3.8 3.2 16.9 57 162 A V E - c 0 91A 20 33,-2.4 35,-3.0 -2,-0.5 2,-0.5 -0.971 25.4-153.8-131.1 137.7 -7.0 1.6 15.6 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.966 38.1 146.8-105.3 126.1 -8.3 -1.9 15.1 59 164 A A E - c 0 93A 18 33,-2.4 35,-2.5 -2,-0.5 36,-0.4 -0.972 34.0-138.0-152.7 162.2 -11.0 -2.1 12.4 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.906 60.4 -17.6-126.2 157.5 -12.3 -4.3 9.7 61 166 A G S S+ 0 0 25 -2,-0.3 8,-2.8 7,-0.1 2,-0.3 -0.151 122.3 3.5 55.6-142.7 -13.4 -3.8 6.1 62 167 A A + 0 0 90 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.614 69.5 166.8 -72.3 131.6 -14.2 -0.2 5.1 63 168 A H - 0 0 43 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 -0.035 64.5 -69.2-146.5 34.2 -13.4 2.0 8.1 64 169 A G S S+ 0 0 86 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.579 104.6 73.8 93.4 12.5 -13.4 5.6 7.0 65 170 A D S S- 0 0 39 0, 0.0 -1,-0.3 0, 0.0 -2,-0.3 -0.813 89.5 -95.3-139.8-175.5 -10.3 5.9 4.7 66 171 A D S S+ 0 0 158 -2,-0.2 2,-0.1 1,-0.2 -4,-0.0 0.279 107.5 74.3 -87.6 13.3 -9.1 4.9 1.2 67 172 A H - 0 0 94 -6,-0.1 -1,-0.2 11,-0.0 -6,-0.0 -0.430 69.7-175.6-124.5 54.7 -7.4 1.8 2.5 68 173 A A - 0 0 58 -3,-0.3 -6,-0.3 1,-0.1 2,-0.1 -0.176 25.8-118.3 -50.6 140.5 -10.3 -0.5 3.2 69 174 A F - 0 0 12 -8,-2.8 -1,-0.1 1,-0.1 3,-0.1 -0.370 14.2-145.2 -83.3 171.1 -9.4 -3.8 4.7 70 175 A D - 0 0 81 1,-0.5 -1,-0.1 5,-0.4 -10,-0.0 -0.018 38.6 -98.6-135.7 24.5 -10.0 -7.1 3.0 71 176 A G S S- 0 0 21 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.268 80.6 -7.8 78.4-171.3 -10.8 -9.8 5.5 72 177 A K S S+ 0 0 174 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.303 120.3 3.4 -63.0 137.0 -8.4 -12.4 6.9 73 178 A G S S+ 0 0 25 1,-0.2 -3,-0.3 2,-0.0 2,-0.1 -0.325 97.5 69.7 80.8-167.0 -5.0 -12.4 5.2 74 179 A G S S+ 0 0 44 -2,-0.1 88,-2.1 -5,-0.1 2,-0.3 -0.388 104.8 24.5 56.8-127.5 -3.9 -10.0 2.4 75 180 A I B -E 161 0B 74 86,-0.2 -5,-0.4 1,-0.2 86,-0.2 -0.521 65.0-179.6 -68.7 124.2 -3.4 -6.5 4.0 76 181 A L - 0 0 3 84,-3.2 17,-2.6 1,-0.4 2,-0.3 0.729 62.9 -23.0 -93.7 -30.7 -2.7 -6.9 7.7 77 182 A A E -D 92 0A 5 83,-1.1 -1,-0.4 15,-0.3 2,-0.3 -0.961 55.4-158.7-170.4 163.8 -2.4 -3.2 8.6 78 183 A H E -D 91 0A 22 13,-2.4 13,-3.2 -2,-0.3 2,-0.3 -0.977 6.2-161.9-154.6 160.4 -1.6 0.2 7.2 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.992 17.2-123.2-147.2 150.5 -0.4 3.5 8.4 80 185 A F - 0 0 34 9,-2.5 8,-0.4 6,-0.3 3,-0.1 -0.755 31.9-114.4 -94.2 144.0 -0.2 7.2 7.4 81 186 A G - 0 0 33 -2,-0.3 7,-1.4 1,-0.2 8,-0.2 -0.127 56.2 -57.7 -67.6 168.4 3.0 9.1 7.2 82 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.145 86.8 97.9 -52.8 138.6 3.8 12.1 9.4 83 188 A G S S- 0 0 34 4,-0.1 -3,-0.0 -3,-0.1 -79,-0.0 -0.903 70.7 -59.7 161.6 174.2 1.2 14.9 9.3 84 189 A S S > S+ 0 0 118 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.239 98.9 1.6 -73.7 166.4 -1.8 16.4 11.0 85 190 A G T 3 S+ 0 0 54 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.352 141.9 6.6 62.0-123.0 -5.1 14.7 11.5 86 191 A I T > S+ 0 0 98 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.681 103.5 117.7 -67.4 -16.6 -5.0 11.1 10.1 87 192 A G T < S+ 0 0 6 -3,-2.2 -32,-0.2 1,-0.3 -6,-0.2 -0.217 80.8 15.3 -49.1 137.1 -1.2 11.6 9.5 88 193 A G T 3 S+ 0 0 0 -7,-1.4 -1,-0.3 -8,-0.4 30,-0.1 0.148 92.8 138.1 83.3 -20.0 0.7 9.2 11.7 89 194 A D < - 0 0 14 -3,-2.3 -9,-2.5 -8,-0.2 2,-0.5 -0.285 40.0-152.3 -71.0 149.3 -2.2 6.9 12.4 90 195 A A E -cD 56 79A 1 -35,-2.4 -33,-2.4 -11,-0.2 2,-0.4 -0.983 8.1-165.7-126.5 123.8 -1.8 3.2 12.4 91 196 A H E -cD 57 78A 17 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.4 -0.929 2.5-160.3-116.7 133.7 -4.7 0.8 11.6 92 197 A F E -cD 58 77A 1 -35,-3.0 -33,-2.4 -2,-0.4 2,-0.6 -0.929 25.8-116.7-118.1 131.4 -4.7 -2.9 12.2 93 198 A D E > -c 59 0A 0 -17,-2.6 3,-1.9 -2,-0.4 -33,-0.2 -0.549 16.5-157.2 -72.7 115.0 -7.1 -5.3 10.4 94 199 A E T 3 S+ 0 0 16 -35,-2.5 -34,-0.2 -2,-0.6 -1,-0.2 0.680 87.6 74.6 -67.6 -16.5 -9.4 -6.9 13.0 95 200 A D T 3 S+ 0 0 51 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.608 85.4 80.4 -73.5 -9.0 -10.0 -9.8 10.6 96 201 A E S < S- 0 0 8 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.510 89.4-120.4 -80.8 163.4 -6.5 -11.0 11.5 97 202 A F - 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