==== 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 27-JAN-10 3LKA . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8374.0 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 . 8 5.1 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 0 107 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.3 8.8 12.9 2.3 2 107 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.258 360.0 179.8 -71.9 142.6 7.3 14.1 5.6 3 108 A V - 0 0 26 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.944 37.9 -97.9-132.3 156.6 9.0 13.7 9.0 4 109 A W - 0 0 24 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.603 28.7-156.3 -70.2 134.6 8.0 14.8 12.5 5 110 A R + 0 0 208 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.177 69.4 62.0-110.1 38.8 9.7 18.1 13.4 6 111 A K S S- 0 0 97 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.953 72.9-134.7-155.7 159.0 9.6 17.7 17.1 7 112 A H S S+ 0 0 112 -2,-0.3 36,-2.4 1,-0.1 2,-0.7 0.747 84.5 72.6 -96.2 -29.5 11.1 15.2 19.6 8 113 A Y E +a 43 0A 182 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.846 63.6 179.9 -92.5 112.3 8.2 14.4 21.9 9 114 A I E -a 44 0A 2 34,-2.9 36,-1.8 -2,-0.7 2,-0.3 -0.930 11.2-152.7-114.8 137.8 5.6 12.2 20.1 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.3 34,-0.2 43,-0.5 -0.787 7.4-168.0-108.4 150.1 2.3 10.9 21.6 11 116 A Y E -ab 46 54A 6 34,-2.6 36,-2.7 -2,-0.3 2,-0.4 -0.975 2.6-163.7-133.8 155.2 0.3 7.9 20.8 12 117 A R E - b 0 55A 74 42,-2.1 44,-3.2 -2,-0.3 2,-0.9 -0.995 19.1-135.9-136.4 137.8 -3.2 6.8 21.8 13 118 A I E - b 0 56A 16 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.870 17.8-168.1 -97.1 105.1 -4.7 3.4 21.5 14 119 A N - 0 0 87 42,-2.6 2,-0.3 -2,-0.9 43,-0.2 0.838 66.1 -15.5 -56.6 -44.4 -8.2 4.1 20.1 15 120 A N - 0 0 55 41,-0.6 2,-0.4 44,-0.0 -1,-0.2 -0.961 69.3-111.9-161.3 165.1 -9.6 0.6 20.8 16 121 A Y - 0 0 61 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.914 23.6-118.4-117.1 129.1 -8.3 -2.9 21.6 17 122 A T > - 0 0 0 -2,-0.4 3,-1.1 1,-0.1 8,-0.1 -0.369 16.2-141.3 -53.8 132.0 -8.3 -6.2 19.6 18 123 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.554 94.3 79.4 -69.2 -8.5 -10.4 -8.9 21.4 19 124 A D T 3 S+ 0 0 39 77,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.626 96.6 40.4 -72.5 -19.3 -7.7 -11.3 20.2 20 125 A M S < S- 0 0 16 -3,-1.1 2,-0.2 79,-0.1 79,-0.1 -0.863 90.1 -94.4-131.4 159.8 -5.3 -10.3 23.0 21 126 A N >> - 0 0 99 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.551 41.6-122.4 -64.1 141.5 -5.1 -9.4 26.7 22 127 A R H 3> S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.875 111.4 52.7 -54.6 -43.3 -5.3 -5.6 27.1 23 128 A E H 3> S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.785 107.5 52.9 -67.7 -29.7 -2.0 -5.4 29.0 24 129 A D H <> S+ 0 0 46 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.831 107.0 51.0 -74.3 -39.8 -0.3 -7.4 26.2 25 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.966 111.9 48.8 -55.4 -53.2 -1.6 -5.0 23.5 26 131 A D H X S+ 0 0 49 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.912 114.8 43.9 -54.0 -47.7 -0.2 -2.1 25.6 27 132 A Y H X S+ 0 0 140 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.899 110.8 53.3 -70.1 -41.2 3.2 -3.8 26.0 28 133 A A H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.917 113.7 43.6 -59.9 -43.7 3.5 -4.9 22.4 29 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 113.6 50.1 -68.1 -46.4 2.8 -1.3 21.2 30 135 A R H X S+ 0 0 140 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.946 111.7 48.8 -53.7 -52.6 5.2 0.3 23.8 31 136 A K H X S+ 0 0 61 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.853 108.8 53.9 -55.9 -42.6 8.0 -2.2 22.8 32 137 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.897 109.1 47.0 -62.8 -43.8 7.5 -1.4 19.1 33 138 A F H >X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 3,-0.7 0.899 107.0 59.2 -60.2 -41.9 7.9 2.4 19.7 34 139 A Q H 3X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.824 95.3 63.4 -58.8 -34.4 11.0 1.6 21.8 35 140 A V H 3< S+ 0 0 15 -4,-1.3 -1,-0.2 -3,-0.2 4,-0.2 0.910 111.2 37.8 -55.5 -40.8 12.6 -0.1 18.8 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.7 6,-0.2 0.866 112.7 53.0 -82.0 -38.1 12.5 3.3 17.0 37 142 A S H >< S+ 0 0 34 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.730 99.2 68.5 -67.9 -21.6 13.4 5.6 20.0 38 143 A N T 3< S+ 0 0 126 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.704 112.1 30.4 -62.7 -22.9 16.5 3.3 20.5 39 144 A V T < S+ 0 0 30 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.210 120.6 47.3-130.4 13.4 17.9 4.6 17.3 40 145 A T S < S- 0 0 19 -3,-0.6 114,-0.1 -4,-0.2 118,-0.0 -0.887 85.4-106.9-142.8 173.5 16.6 8.2 17.1 41 146 A P S S+ 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.401 80.2 123.0 -80.4 1.7 16.2 11.3 19.3 42 147 A L - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.307 45.4-163.4 -70.7 147.6 12.4 10.5 19.5 43 148 A K E -a 8 0A 129 -36,-2.4 -34,-2.9 2,-0.0 2,-0.4 -0.997 8.6-158.3-127.4 132.6 10.5 10.0 22.8 44 149 A F E -a 9 0A 28 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.936 8.8-175.3-118.3 136.4 7.0 8.4 22.7 45 150 A S E -a 10 0A 65 -36,-1.8 -34,-2.6 -2,-0.4 2,-0.4 -0.998 22.8-130.7-131.4 137.4 4.3 8.6 25.3 46 151 A K E -a 11 0A 74 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.699 25.0-168.7 -81.5 127.1 0.9 6.9 25.6 47 152 A I - 0 0 47 -36,-2.7 -34,-0.4 -2,-0.4 5,-0.1 -0.906 15.5-151.9-114.6 153.1 -1.9 9.4 26.3 48 153 A N S S+ 0 0 123 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.497 73.2 23.4-102.4 -4.3 -5.4 8.2 27.3 49 154 A T S S+ 0 0 112 2,-0.1 -1,-0.1 -37,-0.0 2,-0.1 -0.986 95.6 23.9-159.7 153.1 -7.5 11.0 26.0 50 155 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.357 98.6 -20.2 83.6-163.4 -7.5 13.9 23.5 51 156 A M - 0 0 174 -2,-0.1 2,-0.2 4,-0.0 -41,-0.1 -0.729 59.3-170.8 -92.5 116.4 -5.5 14.2 20.2 52 157 A A - 0 0 15 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.605 31.1-127.2 -93.5 161.6 -2.4 12.1 19.8 53 158 A D S S+ 0 0 27 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.912 104.2 33.7 -65.0 -45.2 0.2 12.3 17.0 54 159 A I E S-b 11 0A 0 -44,-2.3 -42,-2.1 35,-0.1 2,-0.5 -0.942 73.7-163.5-121.4 112.7 -0.2 8.6 16.3 55 160 A L E -b 12 0A 41 -2,-0.6 35,-2.3 -44,-0.2 2,-0.5 -0.865 9.8-151.0 -94.2 126.4 -3.6 7.0 16.8 56 161 A V E +bc 13 90A 2 -44,-3.2 -42,-2.6 -2,-0.5 -41,-0.6 -0.873 22.6 178.5 -99.9 124.0 -3.5 3.2 16.9 57 162 A V E - c 0 91A 18 33,-2.6 35,-2.9 -2,-0.5 2,-0.5 -0.960 24.8-154.5-130.1 135.7 -6.8 1.6 15.6 58 163 A F E + c 0 92A 6 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.978 37.7 143.5-103.8 134.8 -8.0 -1.9 15.2 59 164 A A E - c 0 93A 19 33,-2.3 35,-2.6 -2,-0.5 36,-0.3 -0.980 35.7-136.5-164.5 160.8 -10.7 -2.2 12.4 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.883 60.8 -19.6-129.6 156.1 -11.9 -4.5 9.6 61 166 A G S S+ 0 0 23 -2,-0.3 8,-2.2 7,-0.1 2,-0.4 -0.122 122.8 8.6 50.6-138.9 -13.0 -3.9 6.0 62 167 A A S S+ 0 0 94 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.610 70.4 165.6 -71.4 121.7 -14.1 -0.3 5.2 63 168 A H - 0 0 43 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.030 61.7 -77.5-138.8 30.6 -13.2 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 0.504 103.3 75.8 97.6 4.4 -13.3 5.4 7.1 65 170 A D S S- 0 0 37 21,-0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.484 93.4 -93.6-122.2-160.2 -10.2 6.1 5.2 66 171 A D S S+ 0 0 158 -2,-0.2 2,-0.3 1,-0.2 -4,-0.0 0.231 103.3 82.7-103.5 18.4 -9.3 5.1 1.6 67 172 A H - 0 0 98 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.539 65.4-167.7-124.7 64.6 -7.5 1.9 2.6 68 173 A A - 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