==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-12 2LQJ . COMPND 2 MOLECULE: MG2+ TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.YANG,Y.YANG,G.LABESSE,A.BLANC-POTARD . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 87.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 33.3 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 . 1 1.1 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 . 17 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL 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 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 1 141 A V 0 0 176 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 13.6 17.3 -4.8 2 142 A E - 0 0 177 2,-0.0 2,-0.7 1,-0.0 3,-0.0 -0.620 360.0-129.9 -92.2 157.9 11.9 16.7 -1.5 3 143 A D + 0 0 67 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.851 55.2 131.6-115.3 93.9 8.3 15.4 -1.3 4 144 A E S S+ 0 0 152 -2,-0.7 -1,-0.1 3,-0.1 3,-0.1 -0.085 75.2 60.9-125.0 28.1 6.2 17.5 1.0 5 145 A G S S+ 0 0 44 1,-0.3 56,-1.3 -3,-0.0 2,-0.4 0.242 97.5 59.8-132.9 0.8 3.5 17.6 -1.5 6 146 A L E S-A 60 0A 29 54,-0.2 54,-0.3 55,-0.1 -1,-0.3 -0.941 85.9-139.9-135.2 102.5 3.0 13.9 -1.6 7 147 A Q E -A 59 0A 68 52,-2.0 52,-2.6 -2,-0.4 2,-0.5 -0.534 16.1-121.8 -75.1 129.4 2.0 12.7 1.7 8 148 A P E +A 58 0A 30 0, 0.0 80,-3.8 0, 0.0 2,-0.4 -0.596 36.5 173.8 -72.0 121.0 3.5 9.4 2.8 9 149 A Y E -AB 57 87A 25 48,-3.1 48,-3.5 -2,-0.5 2,-0.5 -0.990 19.1-151.0-125.9 138.0 0.9 6.9 3.6 10 150 A Q E -AB 56 86A 5 76,-3.4 76,-2.7 -2,-0.4 2,-0.7 -0.950 6.3-162.8-110.4 127.5 1.5 3.4 4.4 11 151 A V E -AB 55 85A 3 44,-2.7 44,-3.1 -2,-0.5 2,-0.6 -0.951 6.1-167.6-110.3 113.8 -1.0 0.9 3.6 12 152 A R E +AB 54 84A 105 72,-3.2 72,-2.3 -2,-0.7 2,-0.5 -0.916 7.1 179.5-107.8 117.7 -0.6 -2.4 5.4 13 153 A V E -AB 53 83A 0 40,-2.5 40,-3.2 -2,-0.6 2,-0.7 -0.971 15.4-153.9-118.2 127.2 -2.7 -5.3 4.1 14 154 A I E +AB 52 82A 46 68,-3.4 67,-3.5 -2,-0.5 68,-1.6 -0.907 36.2 143.1-101.5 114.1 -2.4 -8.7 5.7 15 155 A C E -AB 51 80A 0 36,-2.9 36,-3.0 -2,-0.7 65,-0.3 -0.899 54.3 -72.0-145.2 170.5 -3.4 -11.4 3.3 16 156 A R >> - 0 0 107 63,-1.6 4,-2.4 -2,-0.3 3,-1.5 -0.380 44.8-120.6 -58.3 141.4 -2.6 -14.9 2.1 17 157 A P H 3> S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.805 115.9 58.7 -57.1 -28.0 0.7 -15.2 0.1 18 158 A K H 34 S+ 0 0 177 1,-0.2 4,-0.5 2,-0.2 5,-0.0 0.762 110.1 42.5 -72.4 -21.2 -1.3 -16.4 -2.8 19 159 A A H X> S+ 0 0 1 -3,-1.5 4,-3.1 2,-0.2 3,-0.9 0.868 101.4 68.8 -89.9 -38.6 -3.2 -13.2 -2.7 20 160 A E H 3X S+ 0 0 17 -4,-2.4 4,-2.9 1,-0.3 5,-0.3 0.810 92.9 62.9 -47.1 -38.3 -0.1 -11.1 -2.1 21 161 A T H 3X S+ 0 0 101 -4,-1.1 4,-0.9 1,-0.2 -1,-0.3 0.915 115.6 26.7 -59.3 -49.6 0.9 -12.0 -5.6 22 162 A Y H <> S+ 0 0 101 -3,-0.9 4,-2.4 -4,-0.5 -2,-0.2 0.781 118.4 60.6 -87.5 -24.7 -2.0 -10.2 -7.3 23 163 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.929 103.8 49.2 -67.0 -42.3 -2.5 -7.7 -4.4 24 164 A R H X S+ 0 0 108 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.893 114.1 45.9 -67.8 -35.7 1.0 -6.3 -4.9 25 165 A A H X S+ 0 0 46 -4,-0.9 4,-2.1 -5,-0.3 -1,-0.2 0.894 111.8 52.5 -69.8 -38.1 0.4 -5.9 -8.6 26 166 A H H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.878 107.7 52.6 -65.4 -38.0 -3.0 -4.5 -7.9 27 167 A I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.953 109.9 46.8 -62.4 -48.8 -1.4 -1.9 -5.6 28 168 A V H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.868 115.0 45.7 -67.7 -33.5 1.1 -0.8 -8.1 29 169 A Q H X S+ 0 0 115 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.826 114.7 48.1 -79.4 -29.5 -1.5 -0.4 -10.9 30 170 A R H X S+ 0 0 83 -4,-2.1 4,-1.5 -5,-0.2 3,-0.5 0.951 112.7 46.9 -72.6 -46.0 -4.0 1.3 -8.6 31 171 A T H X>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 4,-0.5 0.921 109.7 52.8 -63.5 -42.7 -1.5 3.8 -7.3 32 172 A S H <5S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 116.7 40.0 -66.1 -26.0 -0.1 4.7 -10.7 33 173 A S H <5S+ 0 0 93 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.641 111.8 56.8 -94.5 -15.9 -3.6 5.4 -12.0 34 174 A N H <5S- 0 0 22 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.345 117.1-105.3-100.2 6.7 -4.7 7.1 -8.8 35 175 A D T <5S+ 0 0 101 -4,-0.5 25,-1.5 1,-0.3 2,-0.5 0.640 78.2 137.0 76.2 21.1 -1.9 9.8 -8.8 36 176 A I E < -C 59 0A 5 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.828 44.4-149.3-102.5 130.7 -0.1 8.0 -6.0 37 177 A T E -C 58 0A 64 21,-3.3 21,-3.4 -2,-0.5 2,-0.3 -0.771 15.1-131.9 -98.2 142.8 3.6 7.5 -6.2 38 178 A L E -C 57 0A 52 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.730 22.1-177.1 -98.7 143.2 5.2 4.5 -4.6 39 179 A R E - 0 0 138 17,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.794 67.0 -65.3 -93.4 -51.4 8.2 4.4 -2.3 40 180 A G E -C 56 0A 27 16,-1.3 16,-3.0 2,-0.0 2,-0.5 -0.910 41.0-110.0 172.0 165.9 8.3 0.7 -2.0 41 181 A I E -C 55 0A 37 -2,-0.3 2,-0.8 14,-0.2 14,-0.3 -0.973 18.7-154.6-120.9 121.4 6.4 -2.2 -0.7 42 182 A R E -C 54 0A 168 12,-3.4 12,-3.5 -2,-0.5 2,-0.5 -0.865 16.4-173.0 -95.9 112.2 7.6 -4.1 2.3 43 183 A T E +C 53 0A 60 -2,-0.8 10,-0.2 10,-0.2 -2,-0.0 -0.935 13.2 159.2-110.8 121.9 6.2 -7.5 2.0 44 184 A G E -C 52 0A 27 8,-1.8 8,-3.2 -2,-0.5 2,-0.4 -0.996 44.1-108.9-146.1 142.3 6.8 -9.9 5.0 45 185 A P E +C 51 0A 115 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.547 39.5 173.9 -67.5 123.8 5.3 -13.0 6.4 46 186 A A - 0 0 52 4,-2.1 2,-0.3 -2,-0.4 3,-0.1 -0.600 55.5 -5.9-139.3 71.3 3.5 -12.1 9.6 47 187 A G S S- 0 0 70 -2,-0.2 4,-0.1 1,-0.2 5,-0.0 -0.907 103.1 -54.3 155.8-110.9 1.5 -14.9 11.1 48 188 A D S S+ 0 0 143 -2,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.615 126.3 3.9-131.1 -54.2 0.9 -18.3 9.8 49 189 A D S S+ 0 0 70 -3,-0.1 2,-0.4 -33,-0.0 -2,-0.0 -0.082 115.5 96.8-127.5 27.8 -0.6 -18.1 6.3 50 190 A N - 0 0 29 -34,-0.2 -4,-2.1 -33,-0.1 2,-0.4 -0.938 47.8-171.1-132.9 147.3 -0.3 -14.4 6.1 51 191 A I E -AC 15 45A 26 -36,-3.0 -36,-2.9 -2,-0.4 2,-0.6 -0.974 19.4-138.9-132.1 137.5 1.9 -11.8 4.8 52 192 A T E -AC 14 44A 16 -8,-3.2 -8,-1.8 -2,-0.4 2,-0.8 -0.918 11.5-158.8-104.2 118.0 1.6 -8.1 5.5 53 193 A L E -AC 13 43A 0 -40,-3.2 -40,-2.5 -2,-0.6 2,-0.8 -0.886 5.6-167.5 -94.8 112.7 2.2 -5.9 2.6 54 194 A T E -AC 12 42A 14 -12,-3.5 -12,-3.4 -2,-0.8 2,-0.7 -0.911 5.6-165.3-103.1 105.4 3.2 -2.5 3.8 55 195 A A E -AC 11 41A 0 -44,-3.1 -44,-2.7 -2,-0.8 2,-0.8 -0.844 7.3-153.5 -95.7 115.5 3.0 -0.2 0.8 56 196 A H E +AC 10 40A 35 -16,-3.0 -17,-3.2 -2,-0.7 -16,-1.3 -0.822 26.4 175.3 -90.4 114.5 4.7 3.0 1.4 57 197 A L E -AC 9 38A 5 -48,-3.5 -48,-3.1 -2,-0.8 2,-0.5 -0.849 29.0-150.1-122.7 154.7 3.0 5.5 -0.9 58 198 A L E -AC 8 37A 9 -21,-3.4 -21,-3.3 -2,-0.3 2,-0.6 -0.994 19.6-156.1-121.3 118.8 3.2 9.2 -1.4 59 199 A M E -AC 7 36A 4 -52,-2.6 -52,-2.0 -2,-0.5 2,-0.4 -0.880 10.9-136.6-107.7 124.4 -0.0 10.7 -2.6 60 200 A V E S-A 6 0A 70 -25,-1.5 2,-2.2 -2,-0.6 -54,-0.2 -0.588 86.8 -15.1 -70.1 125.0 -0.1 13.9 -4.5 61 201 A G S S- 0 0 70 -56,-1.3 -1,-0.2 -2,-0.4 -2,-0.1 -0.368 96.4-122.2 82.7 -65.9 -2.9 16.1 -3.2 62 202 A H - 0 0 47 -2,-2.2 -1,-0.1 1,-0.2 3,-0.1 0.846 26.1-166.7 82.5 101.1 -4.6 13.4 -1.2 63 203 A T >> - 0 0 70 -3,-0.2 3,-2.1 1,-0.1 4,-1.7 -0.938 9.8-157.1-113.1 96.1 -8.2 12.6 -2.0 64 204 A P H 3> S+ 0 0 68 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.830 90.0 59.7 -41.6 -43.7 -9.3 10.4 1.0 65 205 A A H 3> S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.759 107.5 46.5 -63.3 -26.6 -12.2 8.9 -1.0 66 206 A K H <> S+ 0 0 85 -3,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 113.8 45.7 -79.0 -45.7 -9.7 7.6 -3.5 67 207 A L H X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.916 113.7 50.2 -65.1 -41.7 -7.3 6.2 -1.0 68 208 A E H X S+ 0 0 102 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.878 108.8 52.6 -62.1 -39.4 -10.2 4.6 0.9 69 209 A R H X S+ 0 0 151 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.2 0.921 110.3 47.6 -65.8 -42.5 -11.5 3.1 -2.2 70 210 A L H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 112.1 49.4 -64.6 -41.2 -8.1 1.5 -3.0 71 211 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 110.9 50.1 -65.2 -40.3 -7.8 0.2 0.5 72 212 A A H X S+ 0 0 58 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.880 112.0 48.6 -64.2 -38.6 -11.3 -1.2 0.2 73 213 A E H X S+ 0 0 16 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.880 108.9 52.2 -68.6 -39.0 -10.3 -2.9 -3.0 74 214 A L H >< S+ 0 0 8 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.912 113.5 43.9 -63.6 -39.2 -7.1 -4.2 -1.5 75 215 A S H 3< S+ 0 0 55 -4,-2.4 5,-0.4 1,-0.2 4,-0.2 0.783 103.9 67.4 -71.9 -27.9 -9.3 -5.7 1.2 76 216 A L H 3< S+ 0 0 129 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.656 75.7 104.0 -68.6 -20.0 -11.7 -6.8 -1.5 77 217 A Q S X< S- 0 0 23 -4,-0.8 3,-1.7 -3,-0.7 2,-0.7 -0.541 87.9-110.9 -63.8 124.1 -9.1 -9.2 -2.7 78 218 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.447 103.8 42.2 -63.7 105.9 -10.1 -12.7 -1.6 79 219 A G T 3 S+ 0 0 27 -2,-0.7 -63,-1.6 1,-0.4 2,-0.3 0.280 75.3 132.6 139.7 -9.8 -7.6 -13.7 1.0 80 220 A V E < -B 15 0A 29 -3,-1.7 -1,-0.4 -5,-0.4 -65,-0.3 -0.544 31.3-174.9 -71.1 131.7 -7.2 -10.5 3.0 81 221 A Y E - 0 0 114 -67,-3.5 2,-0.3 1,-0.4 -66,-0.2 0.832 69.8 -23.8 -88.2 -44.4 -7.3 -10.9 6.8 82 222 A A E -B 14 0A 47 -68,-1.6 -68,-3.4 2,-0.0 -1,-0.4 -0.978 55.0-159.5-164.2 159.6 -7.1 -7.2 7.5 83 223 A V E +B 13 0A 39 -2,-0.3 2,-0.3 -70,-0.3 -70,-0.3 -0.988 12.5 168.5-147.3 147.6 -6.0 -3.9 6.1 84 224 A H E -B 12 0A 115 -72,-2.3 -72,-3.2 -2,-0.3 2,-0.4 -0.951 17.3-150.1-158.3 140.5 -5.2 -0.5 7.6 85 225 A W E -B 11 0A 60 -2,-0.3 2,-0.3 -74,-0.3 -74,-0.2 -0.907 13.7-174.9-114.9 149.6 -3.5 2.6 6.3 86 226 A Y E -B 10 0A 93 -76,-2.7 -76,-3.4 -2,-0.4 2,-0.3 -0.991 27.3-113.4-142.2 143.9 -1.6 5.1 8.3 87 227 A A E S+B 9 0A 51 -2,-0.3 5,-0.4 -78,-0.2 -78,-0.3 -0.582 83.5 50.4 -79.1 140.5 -0.0 8.5 7.6 88 228 A G S > S- 0 0 6 -80,-3.8 3,-1.2 -2,-0.3 -78,-0.2 0.497 70.7-131.5 96.3 117.4 3.7 8.6 7.7 89 229 A E T 3 S+ 0 0 70 1,-0.3 -80,-0.1 2,-0.1 -1,-0.1 0.877 112.9 42.0 -64.9 -40.1 6.0 6.1 5.9 90 230 A H T 3 S- 0 0 173 -82,-0.1 -1,-0.3 -80,-0.0 3,-0.2 0.236 127.0-101.3 -94.3 14.1 8.1 5.5 8.9 91 231 A A < - 0 0 50 -3,-1.2 2,-1.4 1,-0.2 -3,-0.2 0.997 45.6-159.2 58.5 67.2 4.8 5.4 11.0 92 232 A Q 0 0 163 -5,-0.4 -1,-0.2 1,-0.0 -5,-0.1 -0.666 360.0 360.0 -83.0 92.6 5.2 8.8 12.4 93 233 A A 0 0 122 -2,-1.4 -5,-0.0 -3,-0.2 -1,-0.0 -0.844 360.0 360.0 -95.9 360.0 3.1 8.9 15.4