==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-10 3NX7 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,A.GIACHETTI,M.LOCONTE,C.LUCHI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8264.0 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.3 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 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 1 106 A G 0 0 103 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.2 -8.9 12.9 -2.5 2 107 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.261 360.0-177.6 -74.0 151.8 -7.5 14.3 -5.7 3 108 A V - 0 0 18 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.926 38.6 -94.4-133.0 163.0 -9.1 13.8 -9.2 4 109 A W - 0 0 24 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.670 30.4-153.8 -73.1 133.1 -8.0 14.8 -12.6 5 110 A R S S+ 0 0 209 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.140 70.4 63.9-101.7 33.7 -9.7 18.2 -13.4 6 111 A K S S- 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.954 73.6-134.0-152.3 159.3 -9.7 17.7 -17.2 7 112 A H S S+ 0 0 114 -2,-0.3 36,-2.7 1,-0.1 2,-0.7 0.718 86.2 70.8 -95.0 -26.3 -11.3 15.2 -19.6 8 113 A Y E -a 43 0A 179 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.863 64.5-178.5 -99.5 112.7 -8.4 14.3 -21.9 9 114 A I E -a 44 0A 1 34,-3.1 36,-1.7 -2,-0.7 2,-0.3 -0.899 10.5-151.7-113.3 139.1 -5.9 12.2 -20.1 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.2 34,-0.2 43,-0.4 -0.795 9.5-172.3-109.6 150.3 -2.6 10.9 -21.5 11 116 A Y E -ab 46 54A 6 34,-2.3 36,-2.9 -2,-0.3 2,-0.4 -0.961 3.4-165.2-133.5 157.6 -0.6 7.8 -20.7 12 117 A R E - b 0 55A 58 42,-1.9 44,-2.9 -2,-0.3 2,-0.9 -0.999 21.7-131.8-139.7 138.3 2.8 6.6 -21.8 13 118 A I E - b 0 56A 12 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.835 19.7-168.0 -92.5 110.0 4.4 3.2 -21.5 14 119 A N - 0 0 70 42,-2.6 2,-0.3 -2,-0.9 43,-0.2 0.891 66.2 -15.1 -62.8 -45.2 7.8 3.9 -20.1 15 120 A N - 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.966 68.7-113.6-157.8 164.5 9.2 0.4 -20.7 16 121 A Y - 0 0 61 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.894 22.2-121.4-116.1 133.1 8.0 -3.1 -21.5 17 122 A T > - 0 0 0 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.438 15.3-140.6 -61.2 137.5 8.1 -6.3 -19.5 18 123 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.518 93.3 80.8 -75.5 -4.8 10.0 -9.1 -21.3 19 124 A D T 3 S+ 0 0 40 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.670 97.0 38.6 -69.1 -24.2 7.3 -11.5 -20.0 20 125 A M S < S- 0 0 17 -3,-0.9 2,-0.2 79,-0.1 79,-0.1 -0.858 90.5 -94.2-129.5 161.2 4.9 -10.5 -22.8 21 126 A N >> - 0 0 102 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.497 40.8-121.5 -67.4 142.3 4.8 -9.6 -26.5 22 127 A R H 3> S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.912 112.4 52.1 -54.2 -47.7 4.9 -5.9 -27.0 23 128 A E H 3> S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.821 108.2 53.3 -59.5 -30.9 1.5 -5.7 -28.8 24 129 A D H <> S+ 0 0 42 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.816 107.5 49.6 -75.5 -33.6 -0.0 -7.7 -25.9 25 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 5,-0.3 0.959 113.1 48.0 -66.9 -50.7 1.3 -5.2 -23.3 26 131 A D H X S+ 0 0 48 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 114.7 45.3 -49.7 -50.8 -0.1 -2.3 -25.4 27 132 A Y H X S+ 0 0 132 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.895 111.2 51.2 -68.3 -41.5 -3.5 -4.0 -25.8 28 133 A A H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.926 114.1 44.5 -58.2 -47.2 -3.8 -5.0 -22.1 29 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 114.2 50.1 -67.4 -42.6 -3.1 -1.4 -21.0 30 135 A R H X S+ 0 0 139 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.933 111.4 47.5 -58.6 -51.0 -5.5 0.0 -23.6 31 136 A K H X S+ 0 0 82 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.852 110.1 53.9 -61.0 -36.0 -8.3 -2.3 -22.6 32 137 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.889 109.0 47.3 -67.4 -41.2 -7.8 -1.5 -18.9 33 138 A F H >X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 3,-0.8 0.910 108.3 57.3 -62.1 -41.4 -8.1 2.3 -19.6 34 139 A Q H 3X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.832 95.1 64.4 -61.4 -33.7 -11.2 1.5 -21.7 35 140 A V H 3< S+ 0 0 18 -4,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.901 110.9 38.2 -53.0 -41.4 -12.9 -0.2 -18.7 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.8 4,-0.3 0.856 112.0 54.0 -84.3 -36.4 -12.8 3.2 -16.9 37 142 A S H >< S+ 0 0 32 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.784 98.9 67.8 -67.1 -23.1 -13.6 5.4 -19.9 38 143 A N T 3< S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.704 111.4 31.6 -61.6 -24.0 -16.7 3.2 -20.4 39 144 A V T < S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.204 119.9 46.6-126.9 12.2 -18.2 4.6 -17.2 40 145 A T S < S- 0 0 20 -3,-0.7 114,-0.1 -4,-0.3 118,-0.0 -0.880 85.1-106.8-140.9 173.4 -16.9 8.1 -17.0 41 146 A P S S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.394 78.9 122.5 -78.9 3.9 -16.6 11.2 -19.3 42 147 A L - 0 0 2 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.298 47.2-158.0 -75.6 151.0 -12.8 10.6 -19.5 43 148 A K E -a 8 0A 127 -36,-2.7 -34,-3.1 2,-0.0 2,-0.4 -0.999 8.4-157.8-125.0 132.6 -10.8 10.0 -22.7 44 149 A F E -a 9 0A 30 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.902 10.1-178.8-114.5 139.7 -7.4 8.3 -22.7 45 150 A S E -a 10 0A 63 -36,-1.7 -34,-2.3 -2,-0.4 2,-0.4 -1.000 23.9-131.4-139.5 135.4 -4.6 8.5 -25.3 46 151 A K E -a 11 0A 70 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.684 24.8-166.7 -83.2 130.7 -1.3 6.8 -25.5 47 152 A I - 0 0 46 -36,-2.9 -34,-0.4 -2,-0.4 3,-0.1 -0.878 14.4-152.5-117.6 155.9 1.6 9.2 -26.2 48 153 A N S S+ 0 0 118 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.598 72.8 25.1-106.2 -12.5 5.1 8.1 -27.2 49 154 A T S S+ 0 0 121 2,-0.1 -1,-0.2 -37,-0.0 2,-0.0 -0.978 96.6 22.3-149.2 154.1 7.3 10.9 -26.0 50 155 A G S S- 0 0 51 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.173 98.1 -21.1 83.7-174.3 7.2 13.6 -23.4 51 156 A M - 0 0 158 4,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.546 59.3-170.3 -78.3 122.6 5.3 14.0 -20.1 52 157 A A - 0 0 12 -2,-0.4 3,-0.2 1,-0.1 -41,-0.2 -0.727 31.0-125.5-103.0 160.6 2.2 11.9 -19.8 53 158 A D S S+ 0 0 19 -43,-0.4 2,-0.6 -2,-0.3 -42,-0.2 0.944 104.6 32.3 -63.9 -46.5 -0.4 12.2 -17.0 54 159 A I E S-b 11 0A 0 -44,-2.2 -42,-1.9 35,-0.1 2,-0.5 -0.932 74.5-163.2-119.0 109.0 -0.1 8.5 -16.2 55 160 A L E -b 12 0A 35 -2,-0.6 35,-2.4 -44,-0.2 2,-0.6 -0.828 9.5-150.8 -93.1 126.9 3.3 6.8 -16.7 56 161 A V E +bc 13 90A 2 -44,-2.9 -42,-2.6 -2,-0.5 -41,-0.7 -0.886 23.0 178.9-100.9 118.2 3.2 3.0 -16.8 57 162 A V E - c 0 91A 19 33,-2.7 35,-3.0 -2,-0.6 2,-0.5 -0.928 25.7-155.1-123.7 139.6 6.5 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 -0.979 36.4 148.7-107.0 130.9 7.8 -2.1 -15.0 59 164 A A E - c 0 93A 19 33,-2.2 35,-2.6 -2,-0.5 36,-0.4 -0.981 33.9-137.0-155.5 156.5 10.5 -2.2 -12.4 60 165 A R - 0 0 138 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.879 60.9 -24.6-120.7 156.2 11.9 -4.5 -9.7 61 166 A G S S+ 0 0 23 -2,-0.3 8,-2.3 7,-0.1 2,-0.3 -0.097 123.0 11.2 51.5-135.6 13.0 -4.0 -6.1 62 167 A A + 0 0 91 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.595 68.7 166.6 -75.6 128.9 14.0 -0.4 -5.3 63 168 A H - 0 0 44 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.048 59.9 -82.1-143.4 25.4 13.0 1.8 -8.2 64 169 A G S S+ 0 0 83 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.417 102.1 87.0 97.8 -2.5 13.3 5.4 -7.1 65 170 A D S S- 0 0 27 2,-0.0 -1,-0.4 21,-0.0 -2,-0.3 -0.592 94.1-102.5-112.0-175.0 10.1 6.1 -5.3 66 171 A D S S+ 0 0 156 -2,-0.2 2,-0.5 1,-0.2 -4,-0.0 0.330 101.1 87.0 -97.4 24.6 10.1 5.3 -1.7 67 172 A H - 0 0 94 -6,-0.1 -1,-0.2 11,-0.0 -2,-0.0 -0.615 64.5-163.0-124.2 72.1 8.0 2.1 -2.3 68 173 A A - 0 0 60 -2,-0.5 -6,-0.3 -3,-0.1 2,-0.2 -0.144 17.0-123.2 -60.4 144.0 10.3 -0.9 -3.0 69 174 A F - 0 0 11 -8,-2.3 3,-0.1 1,-0.1 -1,-0.1 -0.469 13.4-140.2 -81.9 162.9 9.0 -4.0 -4.7 70 175 A D - 0 0 81 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 -0.046 38.5-103.2-121.7 25.4 9.5 -7.4 -2.9 71 176 A G S S- 0 0 20 3,-0.0 -1,-0.4 4,-0.0 24,-0.1 -0.279 78.8 -5.4 77.6-170.0 10.3 -10.0 -5.5 72 177 A K S S+ 0 0 150 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.321 119.6 4.1 -63.6 136.5 8.0 -12.6 -6.8 73 178 A G S S+ 0 0 30 1,-0.2 -3,-0.3 2,-0.1 2,-0.2 -0.234 99.3 64.9 84.2-173.1 4.5 -12.6 -5.2 74 179 A G S S+ 0 0 66 -5,-0.1 2,-0.4 -2,-0.0 -1,-0.2 -0.432 103.5 30.6 63.2-126.4 3.3 -10.3 -2.5 75 180 A I + 0 0 78 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.520 63.5 176.8 -68.6 121.3 3.0 -6.7 -3.9 76 181 A L - 0 0 33 1,-0.4 17,-2.6 -2,-0.4 2,-0.3 0.739 62.0 -23.2 -92.5 -33.6 2.2 -7.0 -7.7 77 182 A A E -D 92 0A 13 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.969 53.4-158.2-168.1 159.6 1.9 -3.3 -8.5 78 183 A H E -D 91 0A 35 13,-2.3 13,-3.1 -2,-0.3 2,-0.3 -0.980 7.6-163.7-146.6 160.7 1.1 0.1 -7.0 79 184 A A E -D 90 0A 22 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.972 16.1-125.5-142.8 159.0 -0.1 3.4 -8.3 80 185 A F - 0 0 40 9,-2.2 8,-0.6 -2,-0.3 3,-0.1 -0.827 29.8-113.0-105.7 141.9 -0.3 7.1 -7.3 81 186 A G - 0 0 35 -2,-0.4 7,-1.2 6,-0.2 8,-0.2 -0.146 56.4 -60.3 -65.6 166.6 -3.4 9.2 -7.1 82 187 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.079 85.2 99.8 -51.9 142.5 -3.9 12.1 -9.5 83 188 A G - 0 0 36 4,-0.2 -3,-0.1 -30,-0.1 -79,-0.0 -0.910 69.5 -57.1 159.8 174.3 -1.4 14.9 -9.3 84 189 A S S > S+ 0 0 113 -2,-0.3 3,-2.3 2,-0.1 2,-0.2 -0.195 99.5 0.8 -73.7 165.4 1.7 16.4 -10.8 85 190 A G T 3 S+ 0 0 54 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.360 141.8 6.8 63.9-122.5 4.9 14.6 -11.4 86 191 A I T > S+ 0 0 77 -2,-0.2 3,-2.4 2,-0.1 -6,-0.3 0.586 101.9 121.6 -69.0 -13.6 4.7 11.0 -10.2 87 192 A G T < S+ 0 0 8 -3,-2.3 -32,-0.2 1,-0.3 -4,-0.2 -0.253 78.0 15.9 -53.0 137.7 1.0 11.5 -9.6 88 193 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.6 30,-0.1 0.205 92.9 139.1 85.2 -16.7 -1.1 9.1 -11.6 89 194 A D < - 0 0 17 -3,-2.4 -9,-2.2 -8,-0.2 2,-0.5 -0.305 39.3-152.8 -74.9 146.6 1.8 6.8 -12.3 90 195 A A E -cD 56 79A 1 -35,-2.4 -33,-2.7 -11,-0.2 2,-0.5 -0.975 7.1-164.1-122.2 125.5 1.4 3.0 -12.2 91 196 A H E -cD 57 78A 14 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.5 -0.920 2.1-159.9-114.5 131.4 4.2 0.7 -11.4 92 197 A F E -cD 58 77A 1 -35,-3.0 -33,-2.2 -2,-0.5 2,-0.6 -0.928 26.3-117.0-114.6 128.1 4.2 -3.1 -12.1 93 198 A D E > -c 59 0A 0 -17,-2.6 3,-1.9 -2,-0.5 -33,-0.2 -0.504 17.8-157.9 -65.9 110.8 6.6 -5.4 -10.2 94 199 A E T 3 S+ 0 0 14 -35,-2.6 -34,-0.2 -2,-0.6 -1,-0.2 0.733 87.6 74.3 -63.3 -21.2 8.9 -6.9 -12.9 95 200 A D T 3 S+ 0 0 52 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.1 0.655 85.5 80.6 -69.2 -10.1 9.5 -9.8 -10.5 96 201 A E S < S- 0 0 9 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.486 90.0-119.2 -80.1 163.4 6.0 -11.0 -11.3 97 202 A F - 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