==== 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 18-MAR-03 1OS2 . 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) . 47313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 11.3 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 . 57 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 7.7 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 6 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 7 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 22 0, 0.0 243,-2.8 0, 0.0 244,-1.0 0.000 360.0 360.0 360.0 146.8 36.1 29.9 -5.9 2 105 A M B -Ab 243 302A 35 299,-2.2 301,-2.5 241,-0.2 241,-0.2 -0.805 360.0-114.9-113.6 147.6 37.0 33.5 -6.2 3 106 A G - 0 0 0 239,-3.1 300,-0.1 -2,-0.3 -1,-0.1 0.191 54.5 -68.9 -49.1 176.0 34.8 36.7 -6.2 4 107 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 238,-0.2 -0.510 46.9-153.9 -78.7 145.8 34.5 38.9 -9.3 5 108 A V - 0 0 36 78,-0.1 2,-0.1 -2,-0.1 117,-0.1 -0.837 31.1 -91.0-106.1 158.7 37.5 41.0 -10.5 6 109 A W - 0 0 21 115,-0.5 5,-0.0 -2,-0.3 115,-0.0 -0.452 29.9-153.0 -58.6 134.2 37.5 44.2 -12.6 7 110 A R S S+ 0 0 231 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.189 75.6 52.7-106.6 43.4 37.7 43.2 -16.2 8 111 A K - 0 0 91 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.909 69.3-143.4-165.0 158.2 39.5 46.5 -17.3 9 112 A H S S+ 0 0 95 -2,-0.3 36,-3.2 1,-0.1 2,-0.7 0.437 82.4 79.6-118.6 -3.5 42.7 48.2 -16.0 10 113 A Y E +c 45 0B 156 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.930 63.7 175.2-105.0 114.8 41.6 51.7 -16.3 11 114 A I E -c 46 0B 0 34,-3.2 36,-2.3 -2,-0.7 2,-0.2 -0.974 14.8-153.4-129.6 137.9 39.3 52.5 -13.4 12 115 A T E -c 47 0B 21 -2,-0.4 44,-2.2 34,-0.2 43,-0.5 -0.668 8.0-168.6-110.2 160.3 37.8 55.7 -12.4 13 116 A Y E -cd 48 56B 13 34,-2.6 36,-3.0 -2,-0.2 2,-0.4 -0.988 5.3-162.1-144.7 154.2 36.7 57.1 -9.1 14 117 A R E - d 0 57B 78 42,-2.3 44,-2.6 -2,-0.3 2,-1.1 -0.996 21.5-131.2-140.0 134.8 34.8 59.9 -7.9 15 118 A I E - d 0 58B 13 -2,-0.4 44,-0.1 34,-0.3 3,-0.1 -0.768 21.8-168.5 -85.2 99.4 34.6 61.5 -4.5 16 119 A N - 0 0 85 42,-1.7 2,-0.3 -2,-1.1 -1,-0.2 0.751 66.6 -17.3 -44.5 -46.8 30.8 61.8 -3.8 17 120 A N - 0 0 51 41,-0.6 2,-0.3 44,-0.0 43,-0.1 -0.954 69.9-116.1-170.2 156.5 31.0 64.1 -0.8 18 121 A Y - 0 0 39 -2,-0.3 6,-0.1 41,-0.1 42,-0.0 -0.754 23.6-118.5-113.8 142.9 33.7 65.1 1.8 19 122 A T - 0 0 5 -2,-0.3 3,-0.5 1,-0.1 8,-0.1 -0.512 15.4-137.7 -73.5 154.0 33.9 64.5 5.4 20 123 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.613 90.6 83.0 -80.6 -8.4 33.9 67.6 7.5 21 124 A D S S+ 0 0 35 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.696 96.9 29.3 -66.3 -21.6 36.6 66.1 9.8 22 125 A M S S- 0 0 23 -3,-0.5 79,-0.1 79,-0.1 5,-0.1 -0.946 94.1 -81.5-137.0 162.4 39.5 67.0 7.5 23 126 A N >> - 0 0 120 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.369 42.0-124.7 -59.5 136.8 40.7 69.6 4.9 24 127 A R H 3> S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.798 111.5 57.4 -47.5 -44.0 39.2 68.7 1.5 25 128 A E H 3> S+ 0 0 159 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.825 105.1 51.6 -58.7 -37.2 42.8 68.6 0.0 26 129 A D H <> S+ 0 0 56 -3,-0.9 4,-3.0 2,-0.2 5,-0.2 0.908 108.3 51.8 -71.6 -41.0 43.8 65.9 2.6 27 130 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 5,-0.3 0.971 112.3 45.2 -56.7 -50.9 40.7 63.9 1.6 28 131 A D H X S+ 0 0 40 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.886 114.9 48.7 -58.6 -40.5 41.7 64.1 -1.9 29 132 A Y H X S+ 0 0 133 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.912 110.2 50.4 -67.7 -41.9 45.3 63.3 -1.1 30 133 A A H X S+ 0 0 8 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.943 113.2 43.8 -66.6 -44.8 44.6 60.3 1.1 31 134 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.929 114.9 51.1 -62.6 -42.8 42.3 58.5 -1.4 32 135 A R H X S+ 0 0 127 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.959 110.5 46.1 -59.3 -50.2 44.6 59.3 -4.1 33 136 A K H X S+ 0 0 57 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.897 110.7 56.8 -63.9 -36.1 47.7 57.9 -2.3 34 137 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.928 106.7 45.3 -65.6 -40.9 45.6 54.9 -1.4 35 138 A F H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.901 110.5 58.0 -60.7 -38.4 44.8 54.1 -5.1 36 139 A Q H X S+ 0 0 69 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.875 96.1 60.8 -61.1 -35.2 48.4 54.6 -5.7 37 140 A V H < S+ 0 0 17 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.928 112.5 38.4 -57.7 -47.1 49.4 52.0 -3.2 38 141 A W H >X S+ 0 0 0 -4,-1.2 3,-1.5 -3,-0.3 4,-0.6 0.889 111.5 57.5 -74.2 -36.4 47.6 49.4 -5.2 39 142 A S H >< S+ 0 0 28 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.936 98.6 66.6 -52.7 -43.2 48.6 50.9 -8.7 40 143 A N T 3< S+ 0 0 106 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.704 109.0 31.6 -53.1 -21.5 52.2 50.4 -7.4 41 144 A V T <4 S+ 0 0 23 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.364 119.6 44.5-128.3 10.5 52.0 46.6 -7.5 42 145 A T S << S- 0 0 4 -3,-1.4 119,-0.2 -4,-0.6 118,-0.1 -0.819 86.1-105.1-132.1 179.2 49.6 45.9 -10.4 43 146 A P S S+ 0 0 31 0, 0.0 -4,-0.1 0, 0.0 118,-0.1 0.487 78.8 125.5 -77.5 -2.2 48.9 47.0 -14.0 44 147 A L - 0 0 0 -6,-0.2 2,-0.4 -5,-0.1 -2,-0.2 -0.283 42.5-164.4 -73.5 145.2 45.9 49.0 -12.7 45 148 A K E -c 10 0B 141 -36,-3.2 -34,-3.2 -2,-0.0 2,-0.4 -0.972 4.8-163.6-127.6 128.9 45.4 52.8 -13.4 46 149 A F E -c 11 0B 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.852 4.6-171.4-116.5 142.6 43.0 54.9 -11.5 47 150 A S E -c 12 0B 30 -36,-2.3 -34,-2.6 -2,-0.4 2,-0.3 -0.979 20.4-128.4-139.2 146.1 41.7 58.3 -12.3 48 151 A K E -c 13 0B 67 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.679 25.3-170.2 -78.9 137.2 39.6 60.8 -10.4 49 152 A I - 0 0 40 -36,-3.0 -34,-0.3 -2,-0.3 3,-0.1 -0.996 17.1-168.0-129.1 149.1 36.5 62.2 -12.1 50 153 A N S S+ 0 0 102 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.447 75.1 34.8-107.7 -2.4 34.3 65.0 -10.9 51 154 A T S S+ 0 0 116 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.983 99.2 30.8-158.7 145.8 31.5 64.6 -13.1 52 155 A G S S- 0 0 48 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.739 95.3 -65.4 101.8-164.3 29.8 61.7 -14.6 53 156 A M - 0 0 145 -2,-0.3 2,-0.3 4,-0.0 -2,-0.1 -0.835 51.1-159.3-132.4 152.7 29.7 58.5 -12.9 54 157 A A - 0 0 8 -2,-0.3 3,-0.2 1,-0.2 -41,-0.2 -0.804 31.5-106.2-123.2 177.5 32.6 56.3 -12.1 55 158 A D S S+ 0 0 27 -43,-0.5 2,-0.6 -2,-0.3 -42,-0.2 0.966 107.9 33.9 -70.3 -55.3 33.5 52.8 -11.2 56 159 A I E S-d 13 0B 0 -44,-2.2 -42,-2.3 -3,-0.1 2,-0.6 -0.882 70.6-163.9-115.0 119.2 34.2 53.4 -7.6 57 160 A L E -d 14 0B 47 -2,-0.6 35,-2.3 -44,-0.2 2,-0.5 -0.876 9.6-150.1-100.8 130.0 32.3 56.0 -5.8 58 161 A V E -de 15 92B 3 -44,-2.6 -42,-1.7 -2,-0.6 -41,-0.6 -0.854 22.6-177.4-102.0 128.6 33.7 57.1 -2.5 59 162 A V E - e 0 93B 17 33,-2.9 35,-3.3 -2,-0.5 2,-0.5 -0.978 29.5-153.9-134.6 140.6 31.2 58.2 0.1 60 163 A F E + e 0 94B 8 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.953 38.9 148.5-103.1 124.8 31.0 59.6 3.6 61 164 A A E - e 0 95B 18 33,-2.0 35,-2.2 -2,-0.5 36,-0.3 -0.986 31.2-150.4-155.5 144.5 27.6 58.6 5.2 62 165 A R - 0 0 143 -2,-0.3 10,-0.1 33,-0.3 33,-0.0 -0.764 62.4 -5.4-112.5 165.6 26.3 57.9 8.6 63 166 A G S S- 0 0 27 -2,-0.3 8,-1.8 7,-0.1 2,-0.2 -0.078 122.9 -3.7 49.6-154.7 23.5 55.6 9.7 64 167 A A + 0 0 88 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.453 68.9 175.8 -65.9 130.7 21.5 53.9 7.0 65 168 A H - 0 0 42 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.161 55.2 -77.7-139.4 18.4 22.7 55.3 3.8 66 169 A G S S+ 0 0 79 1,-0.4 2,-0.3 2,-0.0 -2,-0.1 0.742 94.3 85.7 100.6 19.5 20.9 53.5 1.2 67 170 A D S S- 0 0 37 21,-0.0 -1,-0.4 0, 0.0 -2,-0.3 -0.869 92.3 -82.5-136.3-170.9 22.4 50.2 0.7 68 171 A D S S+ 0 0 153 -2,-0.3 2,-0.3 1,-0.2 -4,-0.0 0.480 111.7 60.4 -66.5 -5.4 22.1 46.9 2.0 69 172 A H - 0 0 70 11,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.710 68.3-156.7-136.2 92.1 24.4 47.7 5.0 70 173 A A - 0 0 68 -2,-0.3 -6,-0.3 -3,-0.1 2,-0.1 -0.301 23.8-117.6 -55.4 134.9 23.6 50.4 7.6 71 174 A F - 0 0 13 -8,-1.8 3,-0.1 1,-0.1 -1,-0.1 -0.432 15.1-140.1 -76.7 157.2 26.5 52.1 9.6 72 175 A D - 0 0 74 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 -0.212 41.6-107.8-118.8 31.9 26.4 51.6 13.3 73 176 A G S S- 0 0 20 3,-0.1 -1,-0.4 25,-0.0 24,-0.1 0.040 74.8 -1.8 58.7-167.0 27.5 55.0 14.5 74 177 A K S S- 0 0 171 -3,-0.1 24,-0.2 23,-0.1 3,-0.1 -0.131 123.6 -0.3 -57.0 136.7 30.7 56.0 16.0 75 178 A G S S+ 0 0 27 1,-0.1 -3,-0.2 20,-0.1 22,-0.1 -0.375 98.6 79.6 77.2-166.3 33.1 53.1 16.4 76 179 A G S S+ 0 0 67 -5,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.422 103.8 14.5 65.8-138.9 32.0 49.6 15.4 77 180 A I - 0 0 96 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.561 66.1-168.7 -69.5 124.4 32.4 49.2 11.6 78 181 A L - 0 0 41 -2,-0.4 17,-2.3 1,-0.3 2,-0.3 0.706 63.7 -27.5 -79.6 -35.3 34.5 52.2 10.4 79 182 A A E -F 94 0B 9 15,-0.2 2,-0.3 17,-0.0 -1,-0.3 -0.982 51.7-156.8-174.1 169.4 33.8 51.5 6.7 80 183 A H E -F 93 0B 32 13,-2.4 13,-3.0 -2,-0.3 2,-0.3 -0.976 4.0-168.3-156.2 156.3 32.9 49.0 3.9 81 184 A A E -F 92 0B 17 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.912 21.1-123.0-141.4 172.0 33.2 48.7 0.2 82 185 A F - 0 0 40 9,-1.6 8,-0.2 -2,-0.3 3,-0.1 -0.918 30.7-106.3-123.9 142.5 31.7 46.3 -2.4 83 186 A G - 0 0 34 -2,-0.3 7,-2.3 1,-0.2 8,-0.2 -0.034 58.8 -58.1 -64.3 171.7 33.6 44.1 -4.7 84 187 A P S S+ 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.138 85.6 103.8 -56.6 146.5 34.0 44.7 -8.5 85 188 A G S S- 0 0 37 4,-0.1 -3,-0.1 -3,-0.1 2,-0.0 -0.824 71.6 -70.6 160.2 174.4 30.6 44.9 -10.4 86 189 A S S > S+ 0 0 116 -2,-0.2 3,-2.0 2,-0.1 2,-0.2 -0.301 98.8 7.5 -78.2 172.4 28.3 47.7 -11.9 87 190 A G T 3 S+ 0 0 43 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.364 142.7 7.1 65.8-131.0 26.4 50.0 -9.8 88 191 A I T > S+ 0 0 79 -2,-0.2 3,-2.1 2,-0.1 -1,-0.3 0.707 105.7 122.4 -54.9 -15.4 27.1 49.8 -6.1 89 192 A G T < S+ 0 0 7 -3,-2.0 -32,-0.2 1,-0.3 -6,-0.2 -0.144 80.2 4.8 -55.5 136.4 29.9 47.4 -7.3 90 193 A G T 3 S+ 0 0 0 -7,-2.3 -1,-0.3 1,-0.2 30,-0.1 0.299 95.6 141.4 71.7 -12.2 33.3 48.6 -6.2 91 194 A D < - 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