==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-09 2WO8 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.P.HOLMES,S.GAINES,S.P.WATSON,O.LORTHIOIR,A.WALKER, . 649 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 4 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 . 4 0 0 4 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 1 105 A M 0 0 247 0, 0.0 3,-0.1 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 143.4 20.2 49.1 6.3 2 106 A G - 0 0 46 1,-0.1 120,-0.0 119,-0.0 2,-0.0 -0.682 360.0 -74.3-117.7 173.4 20.5 45.8 8.0 3 107 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.354 52.2-176.6 -68.1 148.0 23.2 44.4 10.4 4 108 A V - 0 0 49 78,-0.1 117,-0.1 -3,-0.1 2,-0.1 -0.948 37.3 -85.6-138.8 161.1 26.5 43.5 8.8 5 109 A W - 0 0 28 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.474 35.2-149.2 -63.1 141.8 29.8 41.9 10.0 6 110 A R S S+ 0 0 249 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.070 73.2 54.4-105.2 19.3 32.0 44.8 11.3 7 111 A K S S- 0 0 99 1,-0.1 -2,-0.0 0, 0.0 36,-0.0 -0.974 70.8-137.5-147.9 157.1 35.4 43.3 10.4 8 112 A H S S+ 0 0 77 -2,-0.3 36,-3.4 35,-0.1 2,-0.7 0.653 86.7 70.4 -93.8 -19.8 36.8 42.0 7.2 9 113 A Y E +a 44 0A 120 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.903 65.9 179.2-102.1 117.7 38.6 38.8 8.4 10 114 A I E -a 45 0A 0 34,-3.1 36,-1.9 -2,-0.7 2,-0.3 -0.931 14.5-149.4-122.0 135.7 36.0 36.2 9.4 11 115 A T E -a 46 0A 20 -2,-0.4 44,-2.0 34,-0.2 43,-0.7 -0.775 10.9-168.8-103.6 152.7 36.6 32.8 10.8 12 116 A Y E -ab 47 55A 10 34,-2.5 36,-2.6 -2,-0.3 2,-0.4 -0.970 3.7-163.5-135.5 155.4 34.4 29.7 10.3 13 117 A R E - b 0 56A 44 42,-2.0 44,-3.5 -2,-0.3 2,-0.8 -0.995 20.6-133.4-137.5 141.2 34.4 26.3 11.8 14 118 A I E - b 0 57A 13 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.860 19.7-167.6 -93.8 109.3 32.7 23.1 10.7 15 119 A N - 0 0 60 42,-3.2 2,-0.3 -2,-0.8 43,-0.2 0.915 66.6 -11.6 -66.2 -44.3 31.0 21.8 13.9 16 120 A N S S- 0 0 40 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.929 70.1-116.2-149.5 172.1 30.3 18.3 12.6 17 121 A Y - 0 0 44 -2,-0.3 6,-0.1 -3,-0.1 5,-0.0 -0.911 17.3-123.6-122.8 140.4 30.3 16.4 9.3 18 122 A T > - 0 0 3 -2,-0.4 3,-0.6 1,-0.1 8,-0.1 -0.505 18.5-138.8 -69.6 145.6 27.6 14.8 7.1 19 123 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.596 89.9 86.7 -81.1 -4.9 28.4 11.1 6.5 20 124 A D T 3 S+ 0 0 53 75,-0.1 2,-0.3 2,-0.0 78,-0.0 0.740 98.4 20.2 -65.9 -29.1 27.2 11.6 2.9 21 125 A M S < S- 0 0 18 -3,-0.6 79,-0.1 79,-0.1 78,-0.0 -0.961 92.6 -97.8-136.8 157.0 30.6 12.8 1.6 22 126 A N > - 0 0 84 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.032 42.1 -99.5 -66.2 178.4 34.1 12.4 3.0 23 127 A R H > S+ 0 0 154 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.900 119.2 54.8 -67.5 -44.5 35.7 15.1 5.1 24 128 A E H > S+ 0 0 133 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.932 109.2 47.3 -54.6 -51.8 37.9 16.5 2.3 25 129 A D H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.796 112.6 49.0 -61.9 -34.3 34.8 17.1 0.0 26 130 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.968 113.7 46.5 -70.4 -49.5 32.8 18.7 2.8 27 131 A D H X S+ 0 0 41 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.902 115.8 46.7 -54.1 -46.4 35.8 21.0 3.6 28 132 A Y H X S+ 0 0 115 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.908 109.7 50.8 -65.7 -47.5 36.3 21.8 -0.1 29 133 A A H X S+ 0 0 8 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.907 116.2 43.8 -55.7 -45.3 32.6 22.5 -0.9 30 134 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.923 112.6 50.0 -67.9 -48.6 32.5 24.9 2.1 31 135 A R H X S+ 0 0 121 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.948 112.2 48.9 -55.7 -48.9 35.8 26.6 1.4 32 136 A K H X S+ 0 0 62 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.788 107.4 55.9 -64.6 -27.3 34.8 27.2 -2.2 33 137 A A H X S+ 0 0 0 -4,-1.3 4,-0.9 -5,-0.2 3,-0.4 0.910 108.5 45.7 -73.0 -41.0 31.5 28.6 -1.2 34 138 A F H >X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 3,-0.6 0.903 108.5 59.4 -66.0 -34.0 33.1 31.2 1.0 35 139 A Q H 3X S+ 0 0 64 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.779 95.0 62.4 -65.9 -27.4 35.5 31.9 -1.9 36 140 A V H 3< S+ 0 0 21 -4,-1.1 -1,-0.3 -3,-0.4 4,-0.2 0.915 111.3 38.5 -62.7 -39.2 32.6 32.8 -4.1 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.6 4,-0.3 0.858 112.1 54.4 -81.6 -37.8 31.8 35.7 -1.7 38 142 A S H >< S+ 0 0 29 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.749 98.1 67.8 -68.3 -21.7 35.4 36.8 -0.9 39 143 A N T 3< S+ 0 0 100 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.719 108.7 34.5 -67.5 -18.6 36.1 37.2 -4.6 40 144 A V T < S+ 0 0 26 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.284 120.3 42.5-122.1 13.3 33.7 40.1 -5.0 41 145 A T S < S- 0 0 1 -3,-0.6 119,-0.2 -4,-0.3 121,-0.1 -0.843 87.7-102.4-144.5 177.3 34.2 41.8 -1.6 42 146 A P S S+ 0 0 9 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.401 80.1 123.3 -85.8 0.7 37.0 42.8 0.8 43 147 A L - 0 0 0 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.391 45.0-163.1 -68.8 138.2 36.0 39.9 3.0 44 148 A K E -a 9 0A 127 -36,-3.4 -34,-3.1 -2,-0.1 2,-0.4 -0.985 6.8-161.6-119.4 129.6 38.6 37.2 4.0 45 149 A F E -a 10 0A 32 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.923 8.3-177.8-115.8 142.2 37.4 33.9 5.3 46 150 A S E -a 11 0A 45 -36,-1.9 -34,-2.5 -2,-0.4 2,-0.3 -0.999 22.9-128.2-140.2 136.8 39.5 31.3 7.3 47 151 A K E -a 12 0A 71 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.649 25.7-171.2 -84.3 129.7 38.7 27.8 8.7 48 152 A I - 0 0 42 -36,-2.6 -34,-0.4 -2,-0.3 3,-0.1 -0.919 18.4-159.8-120.2 151.3 39.5 27.2 12.4 49 153 A N S S+ 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.449 75.4 27.1-109.4 -6.8 39.5 23.9 14.3 50 154 A T S S+ 0 0 113 2,-0.1 -1,-0.2 527,-0.0 2,-0.1 -0.985 94.6 38.0-149.3 160.1 39.2 25.1 17.9 51 155 A G S S- 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.185 97.9 -45.5 90.8 173.1 37.9 28.2 19.7 52 156 A M - 0 0 172 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.690 59.5-157.7 -82.3 125.7 34.8 30.2 19.0 53 157 A A - 0 0 25 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.537 22.9-126.4 -96.4 165.8 34.4 31.0 15.3 54 158 A D S S+ 0 0 34 -43,-0.7 2,-0.5 1,-0.3 -42,-0.2 0.888 102.2 32.0 -76.1 -41.6 32.4 33.9 13.9 55 159 A I E S-b 12 0A 0 -44,-2.0 -42,-2.0 35,-0.1 2,-0.5 -0.969 75.0-160.1-122.3 118.9 30.4 31.5 11.7 56 160 A L E -b 13 0A 49 -2,-0.5 35,-2.2 31,-0.2 2,-0.6 -0.867 6.5-151.9-101.3 129.6 29.7 28.0 12.8 57 161 A V E +bc 14 91A 3 -44,-3.5 -42,-3.2 -2,-0.5 -41,-0.7 -0.902 23.0 178.4-101.9 118.7 28.8 25.4 10.1 58 162 A V E - c 0 92A 20 33,-2.4 35,-2.9 -2,-0.6 2,-0.5 -0.930 26.0-153.8-125.0 139.1 26.5 22.6 11.5 59 163 A F E + c 0 93A 4 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.966 37.5 150.5-106.1 129.8 24.8 19.5 10.1 60 164 A A E - c 0 94A 12 33,-2.1 35,-2.7 -2,-0.5 36,-0.4 -0.983 32.2-137.6-155.2 157.3 21.6 18.7 12.1 61 165 A R - 0 0 98 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.898 58.7 -25.9-123.7 156.9 18.2 17.1 11.7 62 166 A G S S+ 0 0 24 -2,-0.3 8,-2.5 7,-0.1 2,-0.5 -0.086 123.1 8.2 44.9-137.5 14.7 17.9 12.9 63 167 A A + 0 0 75 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.560 66.7 161.9 -76.1 117.8 14.7 19.9 16.2 64 168 A H - 0 0 28 -2,-0.5 -1,-0.1 -4,-0.1 -2,-0.1 0.116 62.1 -85.1-128.2 21.2 18.2 21.0 17.0 65 169 A G S S+ 0 0 46 428,-0.2 -2,-0.1 429,-0.1 4,-0.0 0.768 101.8 90.3 89.9 31.5 17.7 23.8 19.5 66 170 A D S S- 0 0 13 427,-0.1 -3,-0.0 21,-0.0 21,-0.0 0.235 96.7-104.7-137.3 14.7 17.2 27.1 17.7 67 171 A F S S+ 0 0 206 1,-0.1 -4,-0.1 0, 0.0 0, 0.0 0.678 102.6 91.0 69.6 17.2 13.4 27.1 17.3 68 172 A H - 0 0 107 -6,-0.1 -1,-0.1 11,-0.0 -6,-0.0 -0.459 63.0-169.2-137.7 65.5 13.6 26.3 13.6 69 173 A A - 0 0 58 1,-0.1 -6,-0.3 -6,-0.1 -7,-0.1 -0.121 23.0-114.8 -55.8 149.4 13.5 22.5 13.5 70 174 A F - 0 0 12 -8,-2.5 -1,-0.1 1,-0.1 3,-0.1 -0.362 15.6-132.6 -81.2 170.2 14.3 20.9 10.1 71 175 A D - 0 0 58 5,-0.4 116,-0.2 1,-0.4 -1,-0.1 -0.042 39.4-106.3-119.4 34.2 11.7 19.0 8.2 72 176 A G S S- 0 0 2 114,-0.1 -1,-0.4 115,-0.1 25,-0.1 -0.123 78.3 -8.6 66.2-173.3 13.3 15.7 7.1 73 177 A K S S+ 0 0 36 112,-0.2 114,-3.1 23,-0.2 115,-0.4 -0.290 120.3 5.0 -62.2 132.4 14.4 15.0 3.5 74 178 A G S S+ 0 0 3 112,-0.2 -3,-0.3 1,-0.1 22,-0.1 -0.482 96.1 70.3 93.4-165.1 13.3 17.7 1.0 75 179 A G S S+ 0 0 48 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.1 -0.327 106.0 20.0 58.2-130.1 11.5 20.9 1.8 76 180 A I - 0 0 92 1,-0.1 -5,-0.4 -3,-0.1 3,-0.1 -0.549 66.5-170.0 -72.0 128.5 13.9 23.3 3.5 77 181 A L - 0 0 33 -2,-0.3 17,-1.7 1,-0.3 2,-0.3 0.681 61.8 -32.6 -92.7 -21.3 17.5 22.2 2.8 78 182 A A E -D 93 0A 8 15,-0.3 2,-0.3 -19,-0.0 -1,-0.3 -0.955 55.2-150.7-178.2 176.0 19.3 24.4 5.3 79 183 A H E -D 92 0A 36 13,-2.5 13,-2.9 -2,-0.3 2,-0.3 -0.968 7.5-159.1-163.2 163.0 19.0 27.9 6.9 80 184 A A E -D 91 0A 21 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.936 15.5-122.8-147.3 165.0 21.3 30.5 8.3 81 185 A F - 0 0 37 9,-2.5 8,-0.6 -2,-0.3 3,-0.1 -0.926 27.3-123.0-116.6 134.4 21.5 33.5 10.6 82 186 A G - 0 0 34 -2,-0.4 7,-1.0 1,-0.2 8,-0.2 -0.099 55.7 -57.8 -64.2 168.5 22.6 37.0 9.6 83 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.223 88.9 117.0 -46.9 124.6 25.4 39.0 11.4 84 188 A G - 0 0 50 -3,-0.1 2,-0.2 4,-0.1 -3,-0.0 -0.947 65.0 -69.6-171.5-173.2 24.5 39.1 15.0 85 189 A S S > S- 0 0 116 -2,-0.3 3,-2.2 2,-0.1 2,-0.4 -0.533 97.6 -2.9 -92.3 166.8 25.5 38.1 18.5 86 190 A G T 3 S+ 0 0 80 1,-0.3 -2,-0.1 -2,-0.2 0, 0.0 -0.385 144.0 14.4 61.4-111.5 25.4 34.5 19.7 87 191 A I T > S+ 0 0 69 -2,-0.4 3,-2.5 2,-0.1 -1,-0.3 0.675 97.5 133.0 -67.5 -20.2 23.9 32.3 17.0 88 192 A G T < S+ 0 0 5 -3,-2.2 -6,-0.2 1,-0.3 -4,-0.1 -0.013 71.3 11.8 -39.7 124.0 24.5 35.2 14.6 89 193 A G T 3 S+ 0 0 0 -7,-1.0 -1,-0.3 -8,-0.6 30,-0.1 0.187 89.1 137.6 95.3 -18.7 26.1 34.1 11.3 90 194 A D < - 0 0 19 -3,-2.5 -9,-2.5 -8,-0.2 2,-0.5 -0.254 40.4-149.9 -68.2 152.6 25.8 30.3 11.7 91 195 A A E -cD 57 80A 1 -35,-2.2 -33,-2.4 -11,-0.2 2,-0.4 -0.991 9.8-164.7-125.5 119.1 24.7 28.1 8.8 92 196 A H E -cD 58 79A 14 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.5 -0.876 3.0-158.7-107.3 135.2 22.8 24.9 9.5 93 197 A F E -cD 59 78A 2 -35,-2.9 -33,-2.1 -2,-0.4 2,-0.5 -0.975 26.4-117.3-118.6 123.5 22.4 22.1 6.9 94 198 A D E > -c 60 0A 0 -17,-1.7 3,-1.9 -2,-0.5 -33,-0.2 -0.426 20.9-156.4 -61.8 109.4 19.5 19.7 7.2 95 199 A E T 3 S+ 0 0 11 -35,-2.7 -34,-0.2 -2,-0.5 -1,-0.2 0.627 85.8 72.4 -70.5 -10.7 21.3 16.4 7.7 96 200 A D T 3 S+ 0 0 42 -36,-0.4 -1,-0.3 -24,-0.1 -23,-0.2 0.655 82.6 86.7 -77.0 -14.1 18.3 14.5 6.4 97 201 A E S < S- 0 0 3 -3,-1.9 2,-0.7 -20,-0.2 -24,-0.1 -0.300 90.3-114.9 -72.2 168.7 19.1 15.7 2.9 98 202 A F - 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