==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-SEP-11 3TS4 . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,F.BEAU,L.VERA . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.7 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.1 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 1 105 A M 0 0 238 0, 0.0 121,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 161.0 0.8 20.9 -14.7 2 106 A G - 0 0 50 119,-0.3 121,-0.0 1,-0.2 120,-0.0 -0.494 360.0 -61.2-117.1-169.9 4.0 19.0 -13.7 3 107 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.168 40.0-160.1 -72.8 161.4 5.3 15.5 -13.7 4 108 A V - 0 0 50 78,-0.1 2,-0.3 79,-0.0 117,-0.1 -0.952 33.1 -92.0-137.2 160.1 4.1 12.4 -11.8 5 109 A W - 0 0 18 115,-0.3 2,-0.1 -2,-0.3 5,-0.0 -0.545 31.3-147.1 -66.9 127.0 5.5 9.1 -10.7 6 110 A R S S+ 0 0 242 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.007 80.1 51.6 -94.2 38.1 4.7 6.8 -13.5 7 111 A K S S- 0 0 90 -2,-0.1 -2,-0.1 1,-0.0 36,-0.0 -0.944 72.4-138.6-161.4 156.1 4.3 4.0 -11.0 8 112 A H S S+ 0 0 84 -2,-0.3 36,-2.5 35,-0.1 2,-0.6 0.582 82.7 79.1-103.1 -11.1 2.3 3.5 -7.8 9 113 A Y E -a 44 0A 124 34,-0.2 2,-0.4 36,-0.1 36,-0.2 -0.897 64.0-179.8-102.1 115.2 4.8 1.7 -5.6 10 114 A I E -a 45 0A 0 34,-2.7 36,-1.9 -2,-0.6 2,-0.3 -0.968 12.9-154.0-127.8 125.7 7.2 4.3 -4.3 11 115 A T E -a 46 0A 22 -2,-0.4 44,-2.5 34,-0.2 43,-0.4 -0.664 8.9-170.2 -98.9 151.0 10.2 3.8 -2.0 12 116 A Y E -ab 47 55A 9 34,-2.3 36,-3.0 -2,-0.3 2,-0.3 -0.965 5.0-168.9-134.6 159.4 11.9 6.2 0.4 13 117 A R E - b 0 56A 60 42,-2.0 44,-3.0 -2,-0.3 2,-0.8 -0.997 23.7-130.1-144.8 137.8 15.1 6.3 2.4 14 118 A I E - b 0 57A 15 34,-0.4 44,-0.2 -2,-0.3 3,-0.1 -0.836 18.1-166.2 -90.5 110.7 16.2 8.7 5.2 15 119 A N - 0 0 88 42,-2.7 2,-0.3 -2,-0.8 43,-0.2 0.837 68.3 -15.2 -60.4 -38.7 19.8 9.8 4.2 16 120 A N - 0 0 51 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.970 68.1-113.3-167.1 163.0 20.6 11.2 7.6 17 121 A Y - 0 0 48 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.904 21.2-122.1-118.8 135.5 18.9 12.2 10.9 18 122 A T > - 0 0 2 -2,-0.4 3,-0.7 1,-0.1 8,-0.1 -0.472 15.5-141.0 -66.3 139.8 18.5 15.6 12.6 19 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.513 92.4 83.2 -76.0 -5.0 20.1 15.6 16.1 20 124 A D T 3 S+ 0 0 45 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.800 99.6 27.1 -64.8 -31.8 17.0 17.7 17.2 21 125 A M S < S- 0 0 20 -3,-0.7 2,-0.1 79,-0.1 79,-0.1 -0.833 93.5 -93.9-128.7 160.6 14.9 14.6 17.6 22 126 A N >> - 0 0 82 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.498 39.2-112.7 -77.7 153.7 15.5 11.0 18.4 23 127 A R H 3> S+ 0 0 142 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.855 116.5 52.0 -53.5 -41.4 15.9 8.6 15.5 24 128 A E H 3> S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.845 108.2 51.3 -65.8 -35.8 12.6 6.8 16.3 25 129 A D H <> S+ 0 0 58 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.830 109.7 50.8 -73.3 -33.0 10.7 10.0 16.4 26 130 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.962 110.0 48.2 -64.8 -53.4 12.1 11.0 13.0 27 131 A D H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.862 113.4 49.3 -53.1 -42.1 11.1 7.7 11.4 28 132 A Y H X S+ 0 0 117 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.943 108.2 50.6 -66.6 -51.0 7.7 8.0 12.9 29 133 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.915 115.4 44.5 -52.3 -46.1 7.0 11.6 11.7 30 134 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.5 51.5 -66.5 -41.6 8.1 10.6 8.2 31 135 A R H X S+ 0 0 118 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.917 111.5 46.5 -62.7 -41.9 6.1 7.4 8.2 32 136 A K H X S+ 0 0 58 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.853 109.1 55.6 -71.4 -33.6 2.9 9.1 9.3 33 137 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.916 108.6 46.7 -66.4 -41.0 3.4 11.9 6.7 34 138 A F H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.890 107.9 58.4 -63.4 -38.4 3.6 9.3 3.9 35 139 A Q H X S+ 0 0 75 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.822 95.7 63.1 -62.7 -33.1 0.5 7.6 5.4 36 140 A V H < S+ 0 0 24 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.930 111.2 37.0 -56.6 -45.4 -1.5 10.8 5.0 37 141 A W H >< S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.4 6,-0.3 0.852 112.9 57.5 -79.0 -33.9 -1.1 10.7 1.3 38 142 A S H >< S+ 0 0 40 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.860 97.5 64.8 -57.5 -38.1 -1.4 6.9 1.1 39 143 A N T 3< S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.700 110.0 34.2 -66.6 -19.2 -4.8 7.1 2.8 40 144 A V T < S+ 0 0 33 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.160 118.4 47.1-122.4 17.5 -6.4 9.0 -0.1 41 145 A T S < S- 0 0 21 -3,-1.3 118,-0.1 2,-0.2 114,-0.1 -0.915 84.0-108.6-144.8 172.0 -4.6 7.5 -3.1 42 146 A P S S+ 0 0 59 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.409 77.0 125.5 -80.2 1.4 -3.6 4.1 -4.6 43 147 A L - 0 0 3 -6,-0.3 2,-0.5 115,-0.1 -2,-0.2 -0.393 46.2-159.0 -71.2 139.7 0.0 4.9 -3.7 44 148 A K E -a 9 0A 129 -36,-2.5 -34,-2.7 -2,-0.1 2,-0.4 -0.973 6.6-158.4-118.2 124.8 2.0 2.5 -1.6 45 149 A F E -a 10 0A 30 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.882 8.4-174.6-109.6 135.4 5.1 3.7 0.3 46 150 A S E -a 11 0A 28 -36,-1.9 -34,-2.3 -2,-0.4 2,-0.4 -0.990 17.6-138.0-130.3 130.2 7.9 1.5 1.5 47 151 A K E -a 12 0A 73 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.691 19.6-171.5 -84.1 130.4 11.0 2.6 3.6 48 152 A I - 0 0 45 -36,-3.0 -34,-0.4 -2,-0.4 3,-0.1 -0.924 17.2-155.5-116.7 153.3 14.3 1.2 2.7 49 153 A N S S+ 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -36,-0.1 0.562 78.5 15.1-106.0 -10.4 17.5 1.6 4.8 50 154 A T S S+ 0 0 117 2,-0.1 -1,-0.2 -37,-0.0 2,-0.1 -0.960 98.1 40.7-152.4 159.5 20.1 1.2 2.1 51 155 A G S S- 0 0 37 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.330 95.0 -24.8 100.1 179.7 20.0 1.3 -1.7 52 156 A M - 0 0 184 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.620 62.0-178.5 -73.9 116.9 18.4 3.3 -4.4 53 157 A A - 0 0 23 -2,-0.5 3,-0.2 1,-0.1 -41,-0.2 -0.846 31.6-132.9-112.5 155.1 15.1 4.9 -3.2 54 158 A D S S+ 0 0 34 -43,-0.4 2,-0.6 -2,-0.3 -42,-0.2 0.935 98.5 37.0 -68.3 -50.2 12.7 7.0 -5.2 55 159 A I E S-b 12 0A 0 -44,-2.5 -42,-2.0 35,-0.1 2,-0.5 -0.913 74.8-161.4-109.2 110.7 12.4 9.7 -2.5 56 160 A L E -b 13 0A 31 -2,-0.6 35,-2.4 32,-0.2 2,-0.5 -0.813 8.4-150.0 -91.0 125.8 15.6 10.5 -0.6 57 161 A V E -bc 14 91A 3 -44,-3.0 -42,-2.7 -2,-0.5 -41,-0.7 -0.855 22.8-179.9 -96.4 123.7 14.9 12.4 2.7 58 162 A V E - c 0 92A 17 33,-2.8 35,-2.9 -2,-0.5 2,-0.5 -0.959 25.6-158.0-128.9 138.2 17.8 14.7 3.7 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.984 37.8 141.2-107.2 130.7 18.6 17.1 6.5 60 164 A A E - c 0 94A 22 33,-2.2 35,-2.8 -2,-0.5 36,-0.4 -0.956 36.1-130.1-157.3 168.3 21.2 19.7 5.6 61 165 A R - 0 0 146 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.877 58.8 -18.5-128.4 162.7 22.2 23.3 6.0 62 166 A G S S+ 0 0 23 -2,-0.3 8,-2.7 7,-0.1 2,-0.5 -0.051 122.7 1.9 48.3-140.6 23.1 26.3 3.9 63 167 A A S S+ 0 0 89 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.692 74.0 170.3 -78.9 122.9 24.3 25.4 0.4 64 168 A H - 0 0 41 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 -0.056 61.0 -69.0-136.2 31.5 24.0 21.7 0.2 65 169 A G S S+ 0 0 82 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.466 105.2 76.4 104.6 1.9 24.5 20.6 -3.3 66 170 A D S S- 0 0 30 21,-0.0 -1,-0.4 2,-0.0 -2,-0.2 -0.648 92.4 -93.6-128.4-172.1 21.5 21.8 -5.3 67 171 A D S S+ 0 0 153 -2,-0.2 2,-0.4 1,-0.2 -4,-0.0 0.349 106.8 74.8 -87.6 13.1 20.5 25.2 -6.6 68 172 A H - 0 0 102 -6,-0.1 -1,-0.2 11,-0.0 -4,-0.0 -0.643 67.6-167.4-132.2 72.3 18.4 26.0 -3.6 69 173 A A - 0 0 48 -2,-0.4 -6,-0.3 -3,-0.1 -7,-0.1 -0.260 21.0-121.0 -64.1 144.4 20.5 26.9 -0.6 70 174 A F - 0 0 10 -8,-2.7 -1,-0.1 1,-0.1 3,-0.1 -0.353 15.7-140.5 -77.6 170.7 19.0 27.0 2.9 71 175 A D - 0 0 79 1,-0.4 -1,-0.1 5,-0.3 -10,-0.0 0.025 37.5-100.7-133.2 23.8 19.2 30.2 4.8 72 176 A G S S- 0 0 20 3,-0.1 -1,-0.4 4,-0.0 24,-0.1 -0.243 79.0 -10.4 79.1-171.9 19.9 29.5 8.5 73 177 A K S S+ 0 0 146 23,-0.1 24,-0.1 -3,-0.1 2,-0.1 -0.375 120.2 12.6 -65.8 133.2 17.3 29.6 11.3 74 178 A G S S+ 0 0 31 1,-0.2 -3,-0.3 2,-0.1 2,-0.2 -0.268 100.5 55.7 91.5 177.4 13.9 31.0 10.1 75 179 A G S S+ 0 0 66 -2,-0.1 -1,-0.2 -5,-0.1 2,-0.1 -0.450 102.5 36.2 64.5-125.0 12.8 31.7 6.5 76 180 A I + 0 0 70 -2,-0.2 -5,-0.3 1,-0.1 -2,-0.1 -0.363 60.1 177.9 -62.7 132.4 13.0 28.6 4.4 77 181 A L - 0 0 35 1,-0.4 17,-2.6 -2,-0.1 2,-0.3 0.799 58.6 -32.1-102.2 -36.2 12.1 25.5 6.3 78 182 A A E -D 93 0A 11 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.966 51.1-158.3-172.3 167.2 12.4 22.7 3.6 79 183 A H E -D 92 0A 35 13,-2.4 13,-3.2 -2,-0.3 2,-0.3 -0.980 4.0-158.1-160.6 164.1 11.9 22.0 -0.0 80 184 A A E -D 91 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.996 17.1-123.4-149.6 149.5 11.3 19.0 -2.3 81 185 A F - 0 0 42 9,-2.6 8,-0.5 6,-0.3 3,-0.1 -0.717 32.6-113.0 -95.3 142.3 11.8 18.1 -6.0 82 186 A G - 0 0 35 -2,-0.3 7,-1.6 1,-0.2 8,-0.2 -0.076 56.5 -56.3 -64.9 172.3 8.9 16.9 -8.1 83 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.176 86.9 99.2 -54.7 136.6 8.7 13.4 -9.6 84 188 A G S S- 0 0 34 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.943 70.2 -65.7 164.9 176.7 11.7 12.3 -11.7 85 189 A S S > S+ 0 0 117 -2,-0.3 3,-2.2 2,-0.1 2,-0.2 -0.365 98.0 5.9 -83.7 170.7 14.9 10.3 -11.6 86 190 A G T 3 S+ 0 0 67 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.358 142.0 4.0 61.5-121.4 17.9 11.2 -9.5 87 191 A I T > S+ 0 0 75 -2,-0.2 3,-2.4 2,-0.1 -6,-0.3 0.688 103.8 118.4 -73.9 -14.4 17.2 14.2 -7.2 88 192 A G T < S+ 0 0 8 -3,-2.2 -32,-0.2 1,-0.3 -4,-0.2 -0.243 81.2 14.6 -48.7 136.9 13.6 14.1 -8.5 89 193 A G T 3 S+ 0 0 0 -7,-1.6 -1,-0.3 -8,-0.5 30,-0.1 0.161 93.1 139.9 82.5 -18.8 11.2 13.4 -5.6 90 194 A D < - 0 0 16 -3,-2.4 -9,-2.6 -8,-0.2 2,-0.5 -0.265 40.4-150.4 -67.9 145.5 13.9 14.2 -3.0 91 195 A A E -cD 57 80A 1 -35,-2.4 -33,-2.8 -11,-0.2 2,-0.4 -0.967 9.6-166.0-121.2 123.5 12.9 16.1 0.1 92 196 A H E -cD 58 79A 12 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.4 -0.909 2.6-161.3-112.4 134.4 15.3 18.3 2.0 93 197 A F E -cD 59 78A 2 -35,-2.9 -33,-2.2 -2,-0.4 2,-0.6 -0.956 25.9-117.7-119.5 134.6 14.9 19.8 5.5 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-1.8 -2,-0.4 -33,-0.2 -0.545 17.4-158.0 -76.4 112.9 16.9 22.8 6.8 95 199 A E T 3 S+ 0 0 21 -35,-2.8 -34,-0.2 -2,-0.6 -1,-0.2 0.693 87.1 74.0 -65.3 -17.6 18.9 21.6 9.8 96 200 A D T 3 S+ 0 0 59 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.657 85.0 80.6 -73.1 -12.3 19.2 25.2 11.0 97 201 A E S < S- 0 0 9 -3,-1.8 2,-0.8 -20,-0.2 -77,-0.1 -0.524 91.3-116.2 -80.0 159.5 15.5 24.9 12.0 98 202 A F - 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