==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-MAY-11 3RTS . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,C.LUCHINAT,M.MORI,C.NATIVI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 54.4 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 . 10 6.3 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 . 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 0 107 0, 0.0 120,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 174.3 8.6 12.7 2.4 2 107 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.302 360.0-174.9 -73.3 150.3 7.2 14.2 5.6 3 108 A V - 0 0 21 78,-0.1 2,-0.2 79,-0.0 117,-0.1 -0.957 35.1 -95.2-135.3 158.1 8.8 13.9 9.0 4 109 A W - 0 0 23 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.561 27.9-156.2 -67.8 136.2 7.9 14.9 12.6 5 110 A R S S+ 0 0 218 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.093 70.1 61.8-106.8 31.2 9.5 18.3 13.4 6 111 A K S S- 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.955 71.4-136.6-154.3 157.9 9.4 17.7 17.1 7 112 A H S S+ 0 0 110 -2,-0.3 36,-2.6 1,-0.1 2,-0.7 0.755 84.9 71.9 -94.5 -31.4 11.0 15.3 19.6 8 113 A Y E +a 43 0A 180 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.826 63.9 179.7 -94.4 117.0 8.1 14.5 21.9 9 114 A I E -a 44 0A 2 34,-3.0 36,-1.9 -2,-0.7 2,-0.3 -0.914 11.3-152.9-120.2 136.9 5.5 12.3 20.1 10 115 A T E -a 45 0A 37 -2,-0.4 44,-2.1 34,-0.2 43,-0.6 -0.846 7.3-166.9-110.8 148.9 2.3 11.0 21.6 11 116 A Y E -ab 46 54A 7 34,-2.5 36,-3.1 -2,-0.3 2,-0.4 -0.959 2.6-164.7-129.2 155.5 0.2 8.0 20.8 12 117 A R E - b 0 55A 77 42,-2.3 44,-2.9 -2,-0.3 2,-0.8 -1.000 18.5-137.1-135.4 136.4 -3.2 6.8 21.7 13 118 A I E - b 0 56A 15 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.839 16.5-166.9 -94.6 112.6 -4.8 3.4 21.5 14 119 A N - 0 0 89 42,-3.1 2,-0.3 -2,-0.8 43,-0.2 0.859 65.9 -16.2 -67.2 -39.8 -8.3 4.0 20.1 15 120 A N - 0 0 54 41,-0.6 2,-0.4 44,-0.0 -1,-0.2 -0.962 68.8-112.3-165.5 163.9 -9.6 0.5 20.8 16 121 A Y - 0 0 60 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.891 23.5-118.9-118.1 132.0 -8.3 -3.0 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.412 16.9-140.1 -59.2 137.5 -8.4 -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 0.565 93.8 81.2 -73.7 -4.3 -10.4 -8.9 21.4 19 124 A D T 3 S+ 0 0 37 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.654 95.9 38.6 -73.2 -19.5 -7.6 -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 -0.877 90.7 -93.5-130.5 159.7 -5.3 -10.3 23.0 21 126 A N >> - 0 0 101 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.519 42.1-121.0 -63.2 141.5 -5.1 -9.4 26.7 22 127 A R H 3> S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.905 112.0 51.5 -52.9 -50.6 -5.3 -5.7 27.1 23 128 A E H 3> S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.825 107.6 54.8 -59.0 -32.7 -2.0 -5.4 28.9 24 129 A D H <> S+ 0 0 45 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.849 106.4 49.9 -70.8 -38.5 -0.3 -7.4 26.1 25 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.951 112.1 49.2 -58.3 -50.9 -1.6 -4.9 23.4 26 131 A D H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 114.2 44.6 -56.6 -45.5 -0.2 -2.0 25.5 27 132 A Y H X S+ 0 0 140 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.915 110.7 52.4 -70.5 -44.5 3.2 -3.7 25.9 28 133 A A H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.903 114.1 44.1 -53.9 -47.0 3.5 -4.8 22.3 29 134 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 114.1 50.0 -66.5 -44.9 2.8 -1.2 21.1 30 135 A R H X S+ 0 0 137 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.956 111.7 48.0 -55.4 -53.9 5.1 0.3 23.8 31 136 A K H X S+ 0 0 59 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.864 109.6 53.7 -55.1 -41.4 8.0 -2.1 22.8 32 137 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.912 108.4 48.1 -62.6 -43.7 7.5 -1.3 19.1 33 138 A F H >X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.9 0.939 107.5 57.7 -59.8 -44.6 7.8 2.5 19.8 34 139 A Q H 3X S+ 0 0 63 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.825 95.9 63.8 -53.4 -39.3 11.0 1.7 21.9 35 140 A V H 3< S+ 0 0 14 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.919 111.5 36.7 -50.2 -46.5 12.6 0.0 18.8 36 141 A W H X< S+ 0 0 0 -4,-1.0 3,-1.1 -3,-0.9 6,-0.2 0.850 113.9 52.7 -80.7 -36.5 12.5 3.4 17.0 37 142 A S H >< S+ 0 0 30 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.791 98.8 69.3 -69.7 -22.0 13.3 5.7 19.9 38 143 A N T 3< S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.723 111.4 29.8 -64.1 -25.1 16.3 3.5 20.6 39 144 A V T < S+ 0 0 33 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.181 121.2 49.2-126.5 12.9 17.9 4.8 17.3 40 145 A T S < S- 0 0 22 -3,-0.8 114,-0.1 -4,-0.2 118,-0.0 -0.873 85.3-108.1-137.0 175.5 16.5 8.3 17.1 41 146 A P S S+ 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.424 79.3 121.9 -81.6 1.0 16.0 11.4 19.3 42 147 A L - 0 0 1 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.347 46.5-161.8 -69.4 144.9 12.3 10.7 19.5 43 148 A K E -a 8 0A 130 -36,-2.6 -34,-3.0 -2,-0.1 2,-0.4 -0.996 8.6-154.6-126.3 131.2 10.4 10.1 22.8 44 149 A F E -a 9 0A 29 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.923 11.1-176.9-115.1 134.2 7.0 8.4 22.7 45 150 A S E -a 10 0A 65 -36,-1.9 -34,-2.5 -2,-0.4 2,-0.4 -0.998 22.7-132.7-132.6 134.4 4.3 8.8 25.4 46 151 A K E -a 11 0A 76 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.700 23.7-167.3 -84.5 124.6 0.9 7.0 25.5 47 152 A I - 0 0 45 -36,-3.1 -34,-0.5 -2,-0.4 3,-0.1 -0.850 15.0-154.6-112.0 154.8 -2.0 9.4 26.2 48 153 A N S S+ 0 0 116 -2,-0.3 2,-0.3 1,-0.1 -36,-0.1 0.461 74.0 25.6-107.7 -3.2 -5.4 8.1 27.2 49 154 A T S S+ 0 0 108 2,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.984 95.2 25.5-157.6 156.3 -7.5 11.1 26.0 50 155 A G S S- 0 0 42 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.256 98.8 -26.7 80.9-170.6 -7.5 13.9 23.5 51 156 A M - 0 0 173 4,-0.0 2,-0.2 -2,-0.0 -41,-0.1 -0.709 59.7-169.2 -89.7 116.2 -5.6 14.1 20.1 52 157 A A - 0 0 15 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.597 30.8-124.8 -92.0 162.3 -2.4 12.1 19.8 53 158 A D S S+ 0 0 26 -43,-0.6 2,-0.6 1,-0.3 -42,-0.2 0.907 104.4 37.1 -66.4 -42.9 0.1 12.4 17.0 54 159 A I E S-b 11 0A 0 -44,-2.1 -42,-2.3 35,-0.1 2,-0.5 -0.928 73.1-164.7-120.1 110.3 -0.3 8.7 16.4 55 160 A L E -b 12 0A 44 -2,-0.6 35,-2.5 -44,-0.2 2,-0.5 -0.842 9.4-152.1 -94.7 128.1 -3.7 7.0 16.7 56 161 A V E -bc 13 90A 2 -44,-2.9 -42,-3.1 -2,-0.5 -41,-0.6 -0.890 21.8-179.7-104.7 121.1 -3.6 3.2 16.9 57 162 A V E - c 0 91A 20 33,-2.5 35,-3.2 -2,-0.5 2,-0.5 -0.965 24.8-155.1-128.9 134.8 -6.8 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 -0.965 37.6 143.7-103.5 129.1 -8.1 -1.9 15.1 59 164 A A E - c 0 93A 18 33,-2.4 35,-2.6 -2,-0.5 36,-0.4 -0.977 34.6-138.8-157.1 163.4 -10.7 -2.2 12.4 60 165 A R - 0 0 135 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.922 60.6 -17.7-129.8 155.8 -12.0 -4.5 9.6 61 166 A G S S+ 0 0 24 -2,-0.3 8,-2.2 7,-0.1 2,-0.4 -0.156 123.4 7.2 54.4-141.7 -13.2 -3.9 6.0 62 167 A A S S+ 0 0 93 6,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.593 70.1 165.9 -70.2 121.8 -14.2 -0.4 5.1 63 168 A H - 0 0 40 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.010 62.5 -76.0-137.4 30.4 -13.2 1.7 8.1 64 169 A G S S+ 0 0 82 1,-0.4 2,-0.2 2,-0.0 -2,-0.1 0.596 103.2 71.5 95.8 13.0 -13.3 5.3 7.0 65 170 A D S S- 0 0 37 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.644 93.5 -91.0-132.3-161.4 -10.3 5.9 4.8 66 171 A D S S+ 0 0 157 -2,-0.2 2,-0.2 1,-0.2 -4,-0.0 0.168 104.9 82.3 -99.6 17.6 -9.2 4.8 1.4 67 172 A H - 0 0 93 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.511 64.8-172.8-125.2 62.5 -7.5 1.7 2.6 68 173 A A - 0 0 65 -2,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.273 23.9-121.9 -53.2 137.0 -10.2 -0.8 3.1 69 174 A F - 0 0 11 -8,-2.2 3,-0.1 1,-0.1 -1,-0.1 -0.410 12.1-140.3 -82.9 163.5 -9.0 -4.0 4.7 70 175 A D - 0 0 84 1,-0.5 2,-0.1 5,-0.4 -1,-0.1 0.037 38.9-102.1-120.2 23.1 -9.5 -7.4 2.9 71 176 A G S S- 0 0 22 4,-0.0 -1,-0.5 3,-0.0 24,-0.1 -0.349 80.7 -6.7 77.1-169.3 -10.5 -10.0 5.5 72 177 A K S S+ 0 0 170 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.312 118.9 3.9 -62.9 136.8 -8.1 -12.5 6.9 73 178 A G S S+ 0 0 27 1,-0.2 -3,-0.3 2,-0.1 2,-0.2 -0.260 97.8 66.0 83.8-170.1 -4.6 -12.6 5.3 74 179 A G S S+ 0 0 68 -5,-0.1 2,-0.3 -2,-0.0 -1,-0.2 -0.441 104.4 29.7 56.7-126.8 -3.2 -10.2 2.7 75 180 A I + 0 0 89 -2,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.480 63.4 179.5 -65.9 123.3 -3.0 -6.7 4.1 76 181 A L - 0 0 31 1,-0.4 17,-2.4 -2,-0.3 2,-0.3 0.703 62.8 -24.6 -93.9 -28.5 -2.3 -7.0 7.9 77 182 A A E -D 92 0A 13 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.964 53.6-155.1-174.7 161.8 -2.2 -3.2 8.7 78 183 A H E -D 91 0A 24 13,-2.4 13,-3.5 -2,-0.3 2,-0.3 -0.986 7.8-165.6-152.6 158.5 -1.4 0.2 7.2 79 184 A A E -D 90 0A 21 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.959 18.6-121.1-144.5 157.4 -0.3 3.6 8.4 80 185 A F - 0 0 33 9,-2.4 8,-0.7 6,-0.3 3,-0.1 -0.793 31.6-112.5-102.6 143.4 -0.1 7.2 7.3 81 186 A G - 0 0 33 -2,-0.4 7,-1.1 6,-0.2 8,-0.2 -0.137 58.0 -59.9 -65.8 166.8 3.2 9.2 7.1 82 187 A P S S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.109 86.2 100.3 -51.5 144.9 3.8 12.2 9.4 83 188 A G - 0 0 36 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.892 68.9 -57.6 159.5 175.2 1.3 15.0 9.3 84 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.4 2,-0.1 2,-0.2 -0.193 99.7 0.8 -73.4 165.9 -1.8 16.6 10.8 85 190 A G T 3 S+ 0 0 57 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.318 142.2 5.7 59.2-118.5 -5.1 14.8 11.4 86 191 A I T > S+ 0 0 95 -2,-0.2 3,-2.3 2,-0.1 -6,-0.3 0.624 101.1 118.2 -75.0 -13.2 -4.8 11.2 10.2 87 192 A G T < S+ 0 0 8 -3,-2.4 -4,-0.2 1,-0.3 -32,-0.2 -0.268 80.1 19.2 -52.3 138.3 -1.1 11.6 9.5 88 193 A G T 3 S+ 0 0 0 -7,-1.1 -1,-0.3 -8,-0.7 30,-0.1 0.186 91.8 137.2 87.6 -15.9 0.9 9.2 11.7 89 194 A D < - 0 0 12 -3,-2.3 -9,-2.4 -8,-0.2 2,-0.4 -0.339 40.0-153.6 -77.9 147.9 -2.1 6.9 12.4 90 195 A A E -cD 56 79A 1 -35,-2.5 -33,-2.5 -11,-0.2 2,-0.4 -0.985 7.1-164.5-125.2 124.9 -1.6 3.2 12.3 91 196 A H E -cD 57 78A 18 -13,-3.5 -13,-2.4 -2,-0.4 2,-0.4 -0.936 2.5-159.0-115.5 134.6 -4.5 0.8 11.5 92 197 A F E -cD 58 77A 1 -35,-3.2 -33,-2.4 -2,-0.4 2,-0.5 -0.938 25.5-115.9-117.8 131.3 -4.5 -2.9 12.2 93 198 A D E > -c 59 0A 0 -17,-2.4 3,-1.8 -2,-0.4 -33,-0.2 -0.525 16.5-157.7 -70.3 112.6 -6.8 -5.4 10.4 94 199 A E T 3 S+ 0 0 15 -35,-2.6 -34,-0.2 -2,-0.5 -1,-0.2 0.729 88.8 73.0 -61.2 -21.9 -9.2 -6.9 13.0 95 200 A D T 3 S+ 0 0 50 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.623 86.6 78.6 -71.0 -10.5 -9.7 -9.8 10.6 96 201 A E S < S- 0 0 7 -3,-1.8 2,-0.7 -20,-0.2 -77,-0.1 -0.508 90.8-117.6 -81.2 164.4 -6.2 -11.0 11.4 97 202 A F - 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