==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAR-03 1OS9 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,C.LUCHINAT,S.MANGANI,B.TERNI . 990 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 52.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.2 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 . 52 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 6 5 1 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 6 12 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 . 4 0 6 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 . 6 4 0 6 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 1 104 A M 0 0 25 0, 0.0 409,-3.1 0, 0.0 410,-0.8 0.000 360.0 360.0 360.0 154.5 85.8 33.1 9.3 2 105 A M B -Ab 409 468A 43 465,-2.4 467,-3.2 407,-0.2 407,-0.2 -0.817 360.0 -93.6-119.7 166.8 87.1 36.1 7.5 3 106 A G - 0 0 5 405,-1.9 466,-0.2 119,-0.3 -1,-0.1 0.115 55.5 -69.4 -68.5 174.7 88.2 36.8 4.0 4 107 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 404,-0.1 -0.097 45.4-148.2 -68.5 160.5 91.8 36.5 2.6 5 108 A V - 0 0 24 464,-0.3 2,-0.3 78,-0.1 117,-0.1 -0.794 29.9 -89.2-124.2 159.7 94.6 38.9 3.5 6 109 A W - 0 0 24 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.572 36.0-148.9 -61.6 134.6 97.7 40.3 1.7 7 110 A R S S+ 0 0 182 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.1 -0.135 71.7 51.4-105.6 39.1 100.4 37.8 2.4 8 111 A K S S- 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.945 73.0-131.1-157.5 167.6 103.3 40.3 2.4 9 112 A H S S+ 0 0 98 -2,-0.3 36,-3.1 1,-0.1 2,-0.8 0.764 85.7 72.3 -98.7 -37.5 104.1 43.6 4.0 10 113 A Y E +c 45 0B 170 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.822 63.9 176.6 -87.3 118.9 105.3 45.9 1.2 11 114 A I E -c 46 0B 0 34,-3.1 36,-1.9 -2,-0.8 2,-0.3 -0.940 14.7-148.5-123.5 137.8 102.2 46.7 -0.9 12 115 A T E -c 47 0B 31 -2,-0.4 44,-2.4 34,-0.2 43,-0.5 -0.727 9.7-168.3-108.0 151.9 102.2 49.1 -3.9 13 116 A Y E -cd 48 56B 7 34,-2.2 36,-2.8 -2,-0.3 2,-0.4 -0.972 4.1-162.2-130.0 158.4 99.6 51.3 -5.2 14 117 A R E - d 0 57B 59 42,-2.3 44,-2.9 -2,-0.3 2,-0.8 -1.000 20.5-134.2-136.3 136.9 99.2 53.3 -8.4 15 118 A I E - d 0 58B 13 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.821 19.1-164.9 -87.9 110.5 96.8 56.2 -9.0 16 119 A N - 0 0 18 42,-2.8 2,-0.3 -2,-0.8 43,-0.2 0.837 66.7 -18.7 -66.0 -36.5 95.3 55.3 -12.5 17 120 A N - 0 0 16 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.966 68.7-113.6-169.1 160.8 93.9 58.8 -13.1 18 121 A Y - 0 0 56 -2,-0.3 6,-0.1 -3,-0.1 42,-0.0 -0.838 21.2-121.6-113.4 143.4 93.0 61.9 -11.2 19 122 A T > - 0 0 2 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.570 16.1-142.0 -70.6 137.9 89.7 63.5 -10.6 20 123 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.535 89.5 85.3 -77.0 -4.1 89.7 67.1 -11.9 21 124 A D T 3 S+ 0 0 42 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.774 97.6 29.6 -64.3 -29.8 87.7 68.1 -8.9 22 125 A M S < S- 0 0 24 -3,-0.8 2,-0.2 79,-0.1 79,-0.1 -0.847 97.9 -81.4-124.2 165.1 90.9 68.6 -6.9 23 126 A N >> - 0 0 115 -2,-0.3 4,-1.6 1,-0.1 3,-1.0 -0.492 42.0-126.5 -55.2 134.3 94.6 69.5 -7.3 24 127 A R H 3> S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.863 110.2 54.3 -51.1 -41.0 96.5 66.4 -8.5 25 128 A E H 3> S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.801 104.7 54.4 -65.9 -28.6 98.9 66.8 -5.6 26 129 A D H <> S+ 0 0 53 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.818 105.8 52.1 -76.7 -33.9 96.1 66.8 -3.1 27 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.969 111.5 47.7 -59.9 -52.1 94.8 63.5 -4.5 28 131 A D H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 114.5 45.8 -50.6 -50.0 98.2 62.2 -4.0 29 132 A Y H X S+ 0 0 115 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.928 111.7 50.1 -65.1 -45.4 98.4 63.5 -0.5 30 133 A A H X S+ 0 0 8 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.897 113.7 46.1 -61.3 -41.0 94.9 62.3 0.5 31 134 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.936 112.9 48.7 -70.0 -44.3 95.6 58.8 -0.7 32 135 A R H X S+ 0 0 127 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.899 113.2 47.5 -56.8 -43.9 99.0 58.6 0.9 33 136 A K H X S+ 0 0 44 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.809 108.6 55.7 -72.3 -27.3 97.7 59.8 4.2 34 137 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.3 -2,-0.2 0.944 110.1 45.0 -73.4 -37.4 94.7 57.3 4.0 35 138 A F H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.878 107.9 58.7 -65.6 -38.6 97.2 54.5 3.6 36 139 A Q H X S+ 0 0 83 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.853 96.0 63.1 -57.4 -37.3 99.2 55.9 6.5 37 140 A V H < S+ 0 0 15 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.932 112.9 35.5 -52.0 -40.4 96.2 55.6 8.8 38 141 A W H >< S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.5 4,-0.3 0.815 113.3 57.3 -89.1 -33.0 96.3 51.8 8.3 39 142 A S H >< S+ 0 0 32 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.813 97.4 64.9 -61.5 -36.6 100.1 51.6 8.1 40 143 A N T 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 111.1 34.7 -59.7 -23.7 100.2 53.3 11.6 41 144 A V T < S+ 0 0 25 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.251 118.8 41.4-118.8 11.5 98.4 50.2 13.1 42 145 A T S < S- 0 0 4 -3,-0.9 119,-0.2 -4,-0.3 118,-0.1 -0.880 84.6-106.2-142.7 173.1 99.8 47.2 11.2 43 146 A P S S+ 0 0 15 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.332 81.0 117.9 -82.8 13.6 103.1 46.0 9.8 44 147 A L - 0 0 3 -6,-0.3 2,-0.4 -34,-0.1 -2,-0.2 -0.520 46.5-164.3 -83.8 145.6 101.9 46.9 6.2 45 148 A K E -c 10 0B 118 -36,-3.1 -34,-3.1 -2,-0.2 2,-0.4 -0.996 3.6-156.4-130.5 140.5 103.8 49.5 4.3 46 149 A F E +c 11 0B 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.907 11.1 179.5-119.8 134.3 102.5 51.2 1.2 47 150 A S E -c 12 0B 57 -36,-1.9 -34,-2.2 -2,-0.4 2,-0.3 -0.998 24.8-126.1-135.6 142.1 104.3 52.9 -1.6 48 151 A K E -c 13 0B 65 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.617 24.0-170.5 -82.9 133.7 103.1 54.6 -4.8 49 152 A I - 0 0 44 -36,-2.8 -34,-0.4 -2,-0.3 3,-0.1 -0.845 16.7-157.7-120.4 159.7 104.5 53.5 -8.2 50 153 A N S S+ 0 0 77 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.524 79.2 17.7-115.8 -15.9 103.9 55.2 -11.5 51 154 A T S S+ 0 0 78 2,-0.1 -1,-0.3 182,-0.0 2,-0.1 -0.930 95.9 56.0-142.9 172.7 104.5 52.3 -13.8 52 155 A G S S- 0 0 55 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.168 98.8 -54.7 86.9 168.0 104.6 48.6 -13.4 53 156 A M - 0 0 144 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.726 58.3-158.8 -86.5 123.1 101.8 46.5 -11.9 54 157 A A - 0 0 16 -2,-0.5 -41,-0.2 1,-0.1 3,-0.2 -0.643 20.9-130.5 -95.2 159.1 100.7 47.8 -8.5 55 158 A D S S+ 0 0 20 -43,-0.5 2,-0.6 1,-0.2 -42,-0.2 0.897 98.7 39.5 -69.1 -48.3 98.8 45.7 -5.9 56 159 A I E S-d 13 0B 0 -44,-2.4 -42,-2.3 35,-0.1 2,-0.5 -0.929 73.1-162.4-111.3 110.7 96.2 48.4 -5.4 57 160 A L E -d 14 0B 31 -2,-0.6 35,-2.9 32,-0.2 2,-0.6 -0.819 7.5-153.6 -91.3 127.4 94.9 50.4 -8.4 58 161 A V E -de 15 92B 3 -44,-2.9 -42,-2.8 -2,-0.5 -41,-0.7 -0.909 20.7-178.0-100.0 120.5 93.1 53.7 -7.5 59 162 A V E - e 0 93B 12 33,-2.6 35,-2.9 -2,-0.6 2,-0.5 -0.917 23.9-160.5-125.2 142.1 90.6 54.7 -10.1 60 163 A F E + e 0 94B 5 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.988 36.5 141.4-112.3 126.7 88.2 57.6 -10.7 61 164 A A E - e 0 95B 20 33,-2.1 35,-2.3 -2,-0.5 36,-0.4 -0.991 40.6-132.8-159.0 156.1 85.4 56.8 -13.1 62 165 A R - 0 0 117 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.874 69.5 -16.6-110.6 151.7 81.7 57.4 -13.8 63 166 A G S S+ 0 0 25 -2,-0.3 8,-3.0 7,-0.1 2,-0.3 -0.179 121.7 5.4 64.8-145.8 79.1 54.7 -14.7 64 167 A A + 0 0 51 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.569 61.9 169.5 -77.3 139.5 80.4 51.5 -16.0 65 168 A H - 0 0 30 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 -0.018 63.6 -74.8-149.6 29.7 84.1 51.2 -15.8 66 169 A G S S+ 0 0 22 1,-0.3 2,-0.2 151,-0.0 -2,-0.1 0.685 102.0 81.5 94.9 15.5 84.9 47.7 -16.5 67 170 A D S S- 0 0 25 150,-0.0 -1,-0.3 21,-0.0 -2,-0.2 -0.713 93.1 -89.3-134.8-173.1 84.1 45.7 -13.4 68 171 A D S S+ 0 0 159 -2,-0.2 2,-0.2 1,-0.2 -4,-0.0 0.299 108.3 74.2 -87.0 18.4 80.7 44.3 -12.2 69 172 A H - 0 0 75 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.523 64.8-170.0-132.9 62.8 79.9 47.4 -10.2 70 173 A A - 0 0 53 -3,-0.2 -6,-0.3 -2,-0.2 -7,-0.1 -0.198 29.9-113.3 -48.8 139.6 78.8 50.2 -12.5 71 174 A F - 0 0 13 -8,-3.0 3,-0.1 1,-0.1 -1,-0.1 -0.355 17.2-137.3 -76.9 172.0 78.6 53.5 -10.6 72 175 A D - 0 0 20 1,-0.5 717,-2.9 5,-0.4 -1,-0.1 -0.071 39.0-102.1-130.5 23.3 75.2 55.2 -10.2 73 176 A G S S- 0 0 14 715,-0.2 -1,-0.5 3,-0.1 24,-0.1 -0.242 78.0 -5.9 79.3-170.5 75.6 58.9 -10.8 74 177 A K S S- 0 0 120 23,-0.1 24,-0.1 -3,-0.1 715,-0.1 -0.309 121.1 -5.8 -66.5 137.5 75.7 61.6 -8.2 75 178 A G S S+ 0 0 21 1,-0.1 -3,-0.3 20,-0.1 2,-0.2 -0.298 95.7 82.0 70.9-160.6 75.1 60.3 -4.7 76 179 A G S S+ 0 0 3 710,-0.6 591,-2.6 711,-0.2 2,-0.3 -0.467 103.9 17.9 63.5-133.3 74.1 56.8 -3.9 77 180 A I B -G 666 0C 58 589,-0.2 -5,-0.4 -2,-0.2 589,-0.2 -0.585 67.1-172.7 -69.2 128.9 77.4 54.7 -3.9 78 181 A L - 0 0 3 587,-3.3 17,-2.5 1,-0.4 2,-0.3 0.718 64.0 -24.2 -93.3 -28.0 80.4 57.0 -3.6 79 182 A A E -F 94 0B 3 586,-0.7 -1,-0.4 15,-0.3 2,-0.3 -0.947 56.8-158.4-172.1 161.9 83.2 54.5 -4.1 80 183 A H E -F 93 0B 29 13,-2.6 13,-3.2 -2,-0.3 2,-0.3 -0.969 5.5-162.8-151.2 166.5 83.8 50.8 -3.7 81 184 A A E -F 92 0B 23 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.975 17.0-124.0-149.1 160.1 86.9 48.5 -3.4 82 185 A F - 0 0 33 9,-2.1 8,-0.2 -2,-0.3 3,-0.1 -0.843 30.1-116.0-107.2 140.1 87.8 44.8 -3.7 83 186 A G - 0 0 36 -2,-0.3 7,-1.7 1,-0.2 8,-0.2 -0.130 58.0 -51.2 -65.6 172.1 89.4 42.7 -0.9 84 187 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.061 86.8 96.6 -49.0 139.4 92.9 41.2 -1.2 85 188 A G - 0 0 35 4,-0.2 2,-0.1 -3,-0.1 -3,-0.1 -0.880 69.9 -65.3 159.1-179.9 93.7 39.2 -4.2 86 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.339 97.5 5.1 -84.5 165.4 95.4 39.4 -7.6 87 190 A G T 3 S+ 0 0 65 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.427 142.0 7.0 71.6-130.6 94.1 41.4 -10.5 88 191 A I T > S+ 0 0 61 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.710 105.0 119.2 -58.2 -15.7 91.2 43.6 -9.5 89 192 A G T < S+ 0 0 7 -3,-2.2 -32,-0.2 1,-0.3 -4,-0.2 -0.182 79.6 12.0 -52.0 135.4 91.8 42.4 -6.0 90 193 A G T 3 S+ 0 0 0 -7,-1.7 -1,-0.3 -8,-0.2 30,-0.1 0.160 93.6 143.5 82.1 -16.1 92.6 45.3 -3.6 91 194 A D < - 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