==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-08 3F19 . 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) . 8428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.5 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 19.6 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 1 0 0 0 0 1 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 0 105 0, 0.0 2,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0-150.7 -5.1 13.0 -22.0 2 107 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 81,-0.1 -0.343 360.0 176.1 -70.2 141.4 -6.9 14.1 -18.8 3 108 A V - 0 0 35 78,-0.1 2,-0.3 -2,-0.1 117,-0.1 -0.947 39.9 -94.5-133.7 158.5 -5.4 13.7 -15.4 4 109 A W - 0 0 26 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.593 29.7-154.4 -68.3 135.6 -6.4 14.8 -11.9 5 110 A R S S+ 0 0 220 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.098 70.4 60.2-106.3 31.6 -4.7 18.1 -11.1 6 111 A K S S- 0 0 98 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.955 73.0-133.8-152.9 160.0 -4.7 17.7 -7.3 7 112 A H S S+ 0 0 116 -2,-0.3 36,-2.6 1,-0.1 2,-0.7 0.764 85.1 72.6 -96.2 -27.6 -3.2 15.2 -4.9 8 113 A Y E -a 43 0A 180 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.838 64.2-179.3 -93.7 113.5 -6.1 14.3 -2.5 9 114 A I E -a 44 0A 2 34,-3.1 36,-2.0 -2,-0.7 2,-0.3 -0.909 11.2-151.7-116.0 136.5 -8.6 12.2 -4.4 10 115 A T E -a 45 0A 37 -2,-0.4 44,-2.2 34,-0.2 43,-0.5 -0.815 9.4-171.8-108.0 149.8 -11.9 10.9 -2.9 11 116 A Y E -ab 46 54A 8 34,-2.4 36,-2.9 -2,-0.3 2,-0.3 -0.953 3.1-165.3-132.8 156.9 -13.9 7.8 -3.7 12 117 A R E - b 0 55A 77 42,-2.1 44,-3.0 -2,-0.3 2,-0.8 -0.998 21.1-132.7-140.3 139.2 -17.3 6.5 -2.7 13 118 A I E - b 0 56A 14 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.847 19.2-167.7 -93.3 108.7 -18.9 3.1 -3.0 14 119 A N - 0 0 86 42,-2.8 2,-0.3 -2,-0.8 43,-0.2 0.865 66.0 -15.9 -62.7 -42.9 -22.4 3.8 -4.4 15 120 A N - 0 0 51 41,-0.6 2,-0.4 44,-0.0 -1,-0.2 -0.956 68.8-112.5-161.1 164.8 -23.7 0.3 -3.7 16 121 A Y - 0 0 63 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.918 22.3-120.9-118.0 132.8 -22.5 -3.2 -2.9 17 122 A T > - 0 0 0 -2,-0.4 3,-1.0 1,-0.1 8,-0.1 -0.423 15.0-140.6 -61.8 136.6 -22.6 -6.4 -4.9 18 123 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.499 93.4 81.3 -75.6 -1.7 -24.6 -9.2 -3.1 19 124 A D T 3 S+ 0 0 39 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.667 96.6 36.6 -71.9 -21.2 -21.9 -11.5 -4.4 20 125 A M S < S- 0 0 17 -3,-1.0 2,-0.2 79,-0.1 79,-0.1 -0.863 91.1 -91.5-132.3 159.8 -19.5 -10.6 -1.6 21 126 A N >> - 0 0 107 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.542 41.8-121.7 -65.3 140.0 -19.3 -9.7 2.1 22 127 A R H 3> S+ 0 0 140 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.896 112.0 52.1 -52.0 -47.3 -19.5 -5.9 2.5 23 128 A E H 3> S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.820 106.9 54.2 -62.1 -31.7 -16.2 -5.7 4.3 24 129 A D H <> S+ 0 0 42 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.836 106.7 50.7 -72.7 -34.4 -14.5 -7.7 1.5 25 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 5,-0.3 0.951 111.4 48.7 -63.7 -49.6 -15.8 -5.2 -1.1 26 131 A D H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 114.6 45.5 -55.0 -46.5 -14.4 -2.3 1.0 27 132 A Y H X S+ 0 0 133 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.906 110.5 51.9 -69.9 -40.8 -11.1 -4.0 1.3 28 133 A A H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.923 114.1 44.2 -59.4 -44.8 -10.7 -5.0 -2.3 29 134 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 113.0 51.0 -67.4 -45.1 -11.4 -1.5 -3.5 30 135 A R H X S+ 0 0 141 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.925 111.5 48.1 -56.4 -47.5 -9.1 0.0 -0.8 31 136 A K H X S+ 0 0 59 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.866 108.2 55.0 -62.8 -37.4 -6.3 -2.3 -1.9 32 137 A A H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.911 108.9 47.1 -65.4 -41.0 -6.8 -1.5 -5.5 33 138 A F H >X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 3,-0.8 0.908 107.5 58.0 -62.2 -41.7 -6.4 2.2 -4.8 34 139 A Q H 3X S+ 0 0 69 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.847 95.3 64.2 -58.3 -37.5 -3.3 1.5 -2.7 35 140 A V H 3< S+ 0 0 14 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.896 110.8 37.7 -50.6 -42.9 -1.7 -0.2 -5.8 36 141 A W H X< S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.8 4,-0.3 0.840 112.2 54.1 -84.4 -35.9 -1.7 3.2 -7.5 37 142 A S H >< S+ 0 0 33 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.764 98.9 68.5 -67.6 -20.9 -0.9 5.4 -4.6 38 143 A N T 3< S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.744 111.5 30.1 -61.3 -26.7 2.2 3.1 -4.1 39 144 A V T < S+ 0 0 31 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.168 120.4 47.5-126.6 12.8 3.7 4.5 -7.3 40 145 A T S < S- 0 0 19 -3,-0.6 114,-0.1 -4,-0.3 118,-0.1 -0.885 84.8-107.4-141.4 171.7 2.4 8.1 -7.5 41 146 A P S S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.433 78.7 122.8 -78.9 1.9 2.0 11.1 -5.2 42 147 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.268 47.2-158.2 -70.4 148.9 -1.8 10.5 -5.0 43 148 A K E -a 8 0A 130 -36,-2.6 -34,-3.1 2,-0.0 2,-0.4 -0.998 8.5-156.4-124.1 130.8 -3.7 10.0 -1.8 44 149 A F E -a 9 0A 31 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.903 10.2-176.9-112.8 136.5 -7.1 8.3 -1.8 45 150 A S E -a 10 0A 63 -36,-2.0 -34,-2.4 -2,-0.4 2,-0.4 -0.998 21.9-132.5-133.9 133.3 -9.8 8.6 0.8 46 151 A K E -a 11 0A 71 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.684 23.5-167.7 -81.7 129.3 -13.2 6.9 1.1 47 152 A I - 0 0 45 -36,-2.9 -34,-0.4 -2,-0.4 5,-0.1 -0.892 15.9-157.4-116.5 152.1 -16.1 9.2 1.8 48 153 A N S S+ 0 0 119 -2,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.562 74.4 31.3-106.4 -11.8 -19.6 8.0 2.8 49 154 A T S S+ 0 0 114 2,-0.1 -1,-0.1 -37,-0.0 2,-0.0 -0.962 96.7 16.1-142.7 157.0 -21.7 11.0 1.7 50 155 A G S S- 0 0 43 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.201 97.7 -20.8 81.6-167.6 -21.6 13.7 -1.0 51 156 A M - 0 0 182 4,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.694 59.0-171.6 -87.7 115.8 -19.8 14.0 -4.3 52 157 A A - 0 0 15 -2,-0.6 3,-0.2 1,-0.1 -41,-0.2 -0.658 31.2-126.0 -97.5 159.8 -16.6 11.9 -4.7 53 158 A D S S+ 0 0 27 -43,-0.5 2,-0.6 1,-0.3 -42,-0.2 0.929 103.5 34.7 -64.8 -45.7 -14.1 12.2 -7.5 54 159 A I E S-b 11 0A 0 -44,-2.2 -42,-2.1 34,-0.1 2,-0.5 -0.941 73.3-165.2-119.1 109.6 -14.4 8.4 -8.2 55 160 A L E -b 12 0A 42 -2,-0.6 35,-2.4 -44,-0.2 2,-0.5 -0.852 9.8-150.7 -93.9 126.6 -17.8 6.8 -7.7 56 161 A V E -bc 13 90A 1 -44,-3.0 -42,-2.8 -2,-0.5 -41,-0.6 -0.870 22.2-179.7 -98.9 123.2 -17.7 2.9 -7.6 57 162 A V E - c 0 91A 19 33,-2.6 35,-3.0 -2,-0.5 2,-0.5 -0.966 24.5-155.0-129.1 137.5 -21.0 1.4 -8.9 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.968 37.2 145.2-105.9 127.9 -22.3 -2.2 -9.4 59 164 A A E - c 0 93A 18 33,-2.4 35,-2.6 -2,-0.5 36,-0.4 -0.981 34.6-138.7-155.7 161.0 -24.9 -2.4 -12.1 60 165 A R - 0 0 136 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.885 61.5 -19.5-124.4 157.4 -26.3 -4.7 -14.8 61 166 A G S S+ 0 0 25 -2,-0.3 8,-2.3 7,-0.1 2,-0.4 -0.132 122.8 8.6 52.3-138.8 -27.5 -4.1 -18.4 62 167 A A + 0 0 92 6,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.603 68.7 165.1 -73.9 127.6 -28.5 -0.5 -19.2 63 168 A H - 0 0 44 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.051 63.3 -74.2-142.1 27.4 -27.5 1.7 -16.2 64 169 A G S S+ 0 0 84 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.542 103.0 74.8 97.9 8.6 -27.6 5.4 -17.3 65 170 A D S S- 0 0 41 2,-0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.684 92.5 -92.0-131.0-170.4 -24.5 5.9 -19.5 66 171 A D S S+ 0 0 164 -2,-0.2 2,-0.2 1,-0.2 -4,-0.0 0.160 105.9 79.2 -93.1 20.5 -23.5 4.9 -23.1 67 172 A H - 0 0 94 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.549 64.4-173.8-128.4 65.9 -21.9 1.7 -22.0 68 173 A A - 0 0 60 -2,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.315 25.9-119.5 -57.6 141.5 -24.7 -0.9 -21.4 69 174 A F - 0 0 14 -8,-2.3 3,-0.1 1,-0.1 -1,-0.1 -0.410 11.4-139.8 -82.6 166.2 -23.4 -4.1 -19.9 70 175 A D - 0 0 83 1,-0.5 -1,-0.1 5,-0.4 2,-0.1 0.014 39.3-104.7-123.1 22.7 -23.8 -7.5 -21.6 71 176 A G S S- 0 0 20 4,-0.1 -1,-0.5 3,-0.0 24,-0.1 -0.305 79.1 -4.0 76.6-168.8 -24.7 -10.1 -19.0 72 177 A K S S+ 0 0 168 23,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.300 119.6 3.0 -62.4 135.7 -22.3 -12.7 -17.6 73 178 A G S S+ 0 0 28 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.302 99.0 64.9 84.0-170.8 -18.9 -12.7 -19.3 74 179 A G S S+ 0 0 65 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.367 104.1 30.0 60.2-125.8 -17.6 -10.3 -21.9 75 180 A I + 0 0 83 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.530 64.4 176.4 -67.2 122.3 -17.4 -6.8 -20.6 76 181 A L - 0 0 30 1,-0.4 17,-2.7 -2,-0.4 2,-0.3 0.732 61.9 -21.5 -96.5 -29.7 -16.7 -7.1 -16.8 77 182 A A E -D 92 0A 12 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.964 54.1-159.3-171.7 160.7 -16.4 -3.4 -15.9 78 183 A H E -D 91 0A 21 13,-2.4 13,-3.3 -2,-0.3 2,-0.3 -0.977 7.4-164.4-152.0 160.9 -15.6 0.0 -17.4 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.986 16.8-123.1-149.0 155.8 -14.4 3.4 -16.1 80 185 A F - 0 0 35 9,-2.4 8,-0.6 -2,-0.3 3,-0.1 -0.793 30.1-113.8-103.9 142.4 -14.2 7.0 -17.2 81 186 A G - 0 0 34 -2,-0.4 7,-1.2 6,-0.2 8,-0.2 -0.143 55.9 -60.6 -66.2 166.0 -11.1 9.1 -17.3 82 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.130 85.3 96.8 -52.0 139.2 -10.5 12.1 -15.0 83 188 A G S S- 0 0 36 4,-0.2 -3,-0.0 -30,-0.1 -79,-0.0 -0.910 70.5 -55.5 162.7 178.0 -13.0 14.9 -15.2 84 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.190 99.9 4.3 -71.3 167.8 -16.1 16.4 -13.7 85 190 A G T 3 S+ 0 0 64 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.359 141.2 3.1 62.5-120.2 -19.4 14.6 -13.2 86 191 A I T > S+ 0 0 97 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.565 100.9 122.5 -77.7 -9.1 -19.1 11.0 -14.2 87 192 A G T < S+ 0 0 7 -3,-2.2 -4,-0.2 1,-0.3 -32,-0.2 -0.264 77.9 18.4 -50.4 136.3 -15.3 11.4 -14.9 88 193 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.3 -8,-0.6 30,-0.1 0.135 92.4 138.9 86.8 -21.3 -13.3 9.0 -12.8 89 194 A D < - 0 0 12 -3,-2.2 -9,-2.4 -8,-0.2 2,-0.5 -0.244 39.1-153.4 -68.0 148.0 -16.3 6.7 -12.1 90 195 A A E -cD 56 79A 1 -35,-2.4 -33,-2.6 -11,-0.2 2,-0.4 -0.985 7.4-165.4-125.7 122.4 -15.8 2.9 -12.2 91 196 A H E -cD 57 78A 16 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.4 -0.931 2.4-160.4-114.4 133.4 -18.7 0.6 -13.0 92 197 A F E -cD 58 77A 1 -35,-3.0 -33,-2.4 -2,-0.4 2,-0.5 -0.934 25.8-116.6-117.3 130.8 -18.7 -3.2 -12.4 93 198 A D E > -c 59 0A 0 -17,-2.7 3,-1.9 -2,-0.4 -33,-0.2 -0.528 16.5-156.6 -71.9 113.9 -21.1 -5.5 -14.2 94 199 A E T 3 S+ 0 0 15 -35,-2.6 -34,-0.2 -2,-0.5 -1,-0.2 0.679 87.5 74.9 -65.7 -16.9 -23.4 -7.1 -11.6 95 200 A D T 3 S+ 0 0 49 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.601 85.2 80.2 -74.0 -7.9 -24.0 -10.0 -14.0 96 201 A E S < S- 0 0 8 -3,-1.9 2,-0.7 -20,-0.2 -77,-0.1 -0.511 89.6-119.6 -81.5 164.3 -20.5 -11.2 -13.1 97 202 A F - 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