==== 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 UNKNOWN FUNCTION 24-OCT-09 3KE6 . COMPND 2 MOLECULE: PROTEIN RV1364C/MT1410; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.KING-SCOTT,S.PANJIKAR,P.A.TUCKER . 702 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 47 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 0 0 0 0 0 2 0 0 0 3 2 1 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 5 0 6 2 4 2 6 6 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 . 2 0 0 4 0 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 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 -7 A L 0 0 109 0, 0.0 7,-1.1 0, 0.0 8,-0.7 0.000 360.0 360.0 360.0 127.0 65.4 14.9 14.7 2 -6 A Y B -A 7 0A 77 5,-0.2 5,-0.2 6,-0.1 0, 0.0 -0.821 360.0-160.9-125.5 158.7 67.0 17.9 16.5 3 -5 A F S S- 0 0 158 3,-1.6 -1,-0.1 -2,-0.3 4,-0.1 0.765 95.4 -4.9-108.6 -49.2 66.4 19.7 19.8 4 -4 A Q S S- 0 0 156 2,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.437 126.7 -62.0-139.5 62.2 67.9 23.1 19.3 5 -3 A G S S+ 0 0 29 1,-0.3 2,-0.4 62,-0.0 -3,-0.0 0.506 113.0 120.1 66.1 5.4 69.4 22.6 15.8 6 -2 A A S S- 0 0 27 29,-0.0 -3,-1.6 61,-0.0 2,-0.8 -0.838 71.7-120.3-101.4 135.4 71.5 19.9 17.6 7 -1 A M B +A 2 0A 8 -2,-0.4 -5,-0.2 29,-0.3 29,-0.1 -0.655 38.9 164.2 -77.7 110.6 71.3 16.2 16.5 8 0 A V + 0 0 54 -7,-1.1 341,-2.0 -2,-0.8 2,-0.3 0.331 68.0 31.6 -97.4 1.1 70.1 14.3 19.5 9 169 A S E S-B 348 0B 3 -8,-0.7 -1,-0.1 339,-0.3 10,-0.1 -0.988 70.8-129.6-161.4 158.1 69.2 11.3 17.3 10 170 A V E -B 347 0B 2 337,-4.0 337,-2.9 -2,-0.3 2,-0.1 -0.765 31.1-115.5-117.9 150.8 70.1 9.5 14.2 11 171 A P E -B 346 0B 18 0, 0.0 2,-0.4 0, 0.0 7,-0.3 -0.401 19.5-129.8 -83.3 167.9 67.6 8.5 11.4 12 172 A V + 0 0 1 333,-0.5 333,-0.3 291,-0.3 5,-0.1 -0.974 29.0 173.6-119.6 136.1 66.6 4.9 10.3 13 173 A V B > -C 16 0C 0 3,-1.0 3,-0.7 -2,-0.4 288,-0.1 -0.932 40.7-112.8-143.4 160.2 66.7 3.8 6.6 14 174 A P T 3 S+ 0 0 28 0, 0.0 217,-0.3 0, 0.0 -1,-0.1 0.906 110.5 36.7 -63.7 -39.6 66.2 0.6 4.6 15 175 A G T 3 S+ 0 0 10 215,-0.1 213,-1.7 1,-0.1 2,-0.3 0.303 116.4 39.3-103.6 8.5 69.8 0.2 3.4 16 176 A A E < -CD 13 227C 0 -3,-0.7 -3,-1.0 211,-0.3 2,-0.4 -0.972 59.1-145.6-154.2 141.5 72.0 1.4 6.3 17 177 A D E - D 0 226C 7 209,-2.7 209,-2.2 -2,-0.3 2,-0.4 -0.905 25.5-164.5 -99.6 137.7 72.0 1.1 10.1 18 178 A I E + D 0 225C 1 -2,-0.4 2,-0.3 -7,-0.3 207,-0.2 -0.980 12.0 178.3-130.5 137.4 73.4 4.2 11.8 19 179 A A E - D 0 224C 9 205,-2.9 205,-3.0 -2,-0.4 2,-0.4 -0.976 6.2-166.6-134.2 150.7 74.6 4.7 15.4 20 180 A A E + D 0 223C 6 -2,-0.3 330,-2.8 328,-0.3 2,-0.3 -0.997 8.4 173.0-143.1 133.7 76.1 7.8 17.1 21 181 A E E +eD 350 222C 6 201,-2.5 201,-2.9 -2,-0.4 2,-0.3 -0.992 9.5 172.1-138.7 143.0 78.0 8.3 20.4 22 182 A Y E -eD 351 221C 39 328,-2.3 330,-2.1 -2,-0.3 2,-0.3 -0.999 19.7-159.2-155.1 154.6 79.7 11.3 21.8 23 183 A L E - D 0 220C 4 197,-2.9 197,-2.4 -2,-0.3 2,-0.5 -0.948 16.2-142.1-129.7 151.2 81.4 12.9 24.8 24 184 A V - 0 0 9 328,-0.5 195,-0.2 -2,-0.3 5,-0.1 -0.973 9.4-143.1-121.7 119.3 82.0 16.6 25.6 25 185 A A S S+ 0 0 34 -2,-0.5 -1,-0.1 2,-0.1 194,-0.1 0.781 81.1 71.5 -48.5 -38.8 85.3 17.6 27.3 26 186 A A S S- 0 0 44 1,-0.1 2,-0.4 30,-0.1 3,-0.3 -0.117 85.6-113.3 -73.7 174.5 83.6 20.3 29.4 27 187 A E S S+ 0 0 169 1,-0.2 3,-0.1 326,-0.0 -1,-0.1 -0.876 88.2 7.1-111.3 145.7 81.4 19.7 32.4 28 188 A D S S+ 0 0 169 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.848 99.6 113.4 55.3 40.5 77.6 20.5 32.6 29 189 A T - 0 0 61 -3,-0.3 -1,-0.2 -5,-0.1 -5,-0.1 -0.997 60.0-147.3-140.7 140.7 77.4 21.5 28.9 30 190 A A S S+ 0 0 78 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.508 78.5 23.9 -83.6 -6.2 75.5 19.7 26.1 31 191 A A + 0 0 37 -7,-0.0 29,-0.2 4,-0.0 2,-0.2 -0.999 51.7 171.2-161.0 154.4 77.9 20.6 23.3 32 192 A G - 0 0 1 2,-0.5 31,-0.1 -2,-0.3 -8,-0.1 -0.390 65.4 -47.7-136.9-143.1 81.5 21.6 22.3 33 193 A G S S+ 0 0 0 -2,-0.2 19,-2.5 19,-0.1 2,-0.3 0.515 109.9 83.6 -82.0 -5.3 83.5 22.0 19.1 34 194 A D E +I 51 0D 15 17,-0.2 -2,-0.5 186,-0.1 2,-0.3 -0.697 48.9 164.5 -97.3 149.4 82.3 18.6 17.7 35 195 A W E -I 50 0D 6 15,-1.8 15,-2.4 -2,-0.3 2,-0.3 -0.977 15.4-160.8-151.2 164.2 79.2 17.7 15.9 36 196 A F E -I 49 0D 10 -2,-0.3 -29,-0.3 13,-0.2 2,-0.3 -0.915 9.5-173.7-132.1 162.9 77.9 14.8 13.8 37 197 A D E -I 48 0D 2 11,-2.2 11,-2.7 -2,-0.3 2,-0.3 -0.981 12.6-169.2-157.0 151.1 75.0 14.7 11.3 38 198 A A E -I 47 0D 2 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.921 10.6-170.5-144.6 112.5 73.2 12.1 9.3 39 199 A L E -I 46 0D 15 7,-2.7 7,-2.6 -2,-0.3 2,-0.9 -0.947 13.2-152.6-113.2 118.1 70.7 13.2 6.6 40 200 A A E +I 45 0D 18 -2,-0.6 5,-0.2 5,-0.2 -28,-0.1 -0.826 21.0 173.4 -86.0 106.8 68.5 10.6 4.9 41 201 A L - 0 0 44 3,-2.4 2,-1.3 -2,-0.9 261,-0.3 -0.024 46.4-107.3-110.4 26.7 67.9 12.2 1.5 42 202 A G S S+ 0 0 32 259,-2.2 259,-0.2 1,-0.2 261,-0.1 -0.596 111.0 34.8 95.8 -82.0 66.0 9.4 -0.4 43 203 A D S S+ 0 0 101 -2,-1.3 66,-1.3 1,-0.1 67,-0.4 0.499 128.5 25.9 -85.1 -4.9 68.4 8.0 -2.9 44 204 A R E - J 0 108D 46 64,-0.2 -3,-2.4 257,-0.2 2,-0.4 -0.987 64.1-132.5-155.4 162.3 71.3 8.5 -0.5 45 205 A L E -IJ 40 107D 0 62,-1.7 62,-3.2 -2,-0.3 2,-0.5 -0.983 21.2-157.9-116.6 125.0 72.5 8.9 3.1 46 206 A V E -IJ 39 106D 0 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.913 7.3-164.7-110.7 123.5 74.9 11.8 4.0 47 207 A L E -IJ 38 105D 0 58,-2.9 58,-2.2 -2,-0.5 2,-0.4 -0.836 5.4-172.3-108.6 143.5 77.1 11.5 7.0 48 208 A V E +IJ 37 104D 0 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.4 -0.996 13.9 171.2-140.4 131.7 79.0 14.4 8.8 49 209 A V E +IJ 36 103D 0 54,-2.0 54,-2.9 -2,-0.4 2,-0.3 -0.993 16.7 175.8-131.6 137.9 81.5 14.7 11.5 50 210 A G E -IJ 35 102D 0 -15,-2.4 -15,-1.8 -2,-0.4 2,-0.4 -0.985 19.4-157.5-143.0 154.8 83.2 18.0 12.3 51 211 A D E -IJ 34 101D 13 50,-2.8 50,-2.5 -2,-0.3 2,-0.4 -0.981 6.9-162.0-136.9 118.5 85.7 19.5 14.8 52 212 A V - 0 0 2 -19,-2.5 3,-0.2 -2,-0.4 -19,-0.1 -0.814 34.4-101.4 -99.2 140.3 86.0 23.3 15.6 53 213 A V S S+ 0 0 90 -2,-0.4 3,-0.1 43,-0.3 47,-0.1 -0.332 88.2 11.7 -67.0 134.4 89.2 24.5 17.3 54 214 A G S S- 0 0 68 1,-0.2 2,-0.6 -2,-0.1 5,-0.4 0.934 78.8-125.0 78.2 61.7 89.3 25.2 21.1 55 215 A H + 0 0 39 -3,-0.2 -1,-0.2 4,-0.1 2,-0.1 -0.662 56.4 135.7 -84.5 110.4 86.2 24.0 23.0 56 216 A G S > S- 0 0 30 -2,-0.6 4,-1.3 -3,-0.1 -1,-0.1 -0.164 78.2 -97.1 105.8 103.5 85.2 26.4 24.4 57 217 A V H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.915 132.0 52.6 -59.3 -46.0 81.8 28.0 25.0 58 218 A E H > S+ 0 0 161 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.824 102.5 58.7 -56.5 -37.0 82.9 30.0 22.0 59 219 A A H > S+ 0 0 3 -5,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.851 100.5 54.7 -65.7 -37.2 83.7 26.8 20.1 60 220 A A H X S+ 0 0 22 -4,-1.3 4,-3.0 -3,-0.4 5,-0.2 0.956 105.7 52.8 -58.0 -51.4 80.1 25.5 20.4 61 221 A A H X S+ 0 0 57 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.890 111.2 46.3 -51.9 -47.2 78.7 28.7 18.8 62 222 A V H X S+ 0 0 12 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.928 112.8 50.6 -61.1 -46.7 81.1 28.3 15.8 63 223 A M H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 106.4 55.5 -58.0 -42.7 80.1 24.6 15.6 64 224 A S H X S+ 0 0 45 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.879 109.2 46.0 -59.6 -41.3 76.4 25.5 15.6 65 225 A Q H X S+ 0 0 90 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.870 113.7 47.7 -69.5 -40.3 76.7 27.8 12.6 66 226 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.893 111.3 51.3 -69.2 -42.7 78.8 25.4 10.6 67 227 A R H X S+ 0 0 18 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.959 112.6 44.9 -58.1 -53.2 76.4 22.6 11.3 68 228 A T H X S+ 0 0 72 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.878 114.3 51.7 -59.0 -37.9 73.4 24.6 10.2 69 229 A A H X S+ 0 0 17 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.930 112.3 43.2 -65.4 -46.4 75.3 25.9 7.1 70 230 A L H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.922 113.3 52.5 -68.6 -41.8 76.4 22.4 6.0 71 231 A R H X S+ 0 0 36 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.865 105.6 55.0 -59.1 -39.0 72.9 20.9 6.6 72 232 A M H X S+ 0 0 128 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.922 112.6 41.5 -64.8 -43.3 71.2 23.6 4.6 73 233 A Q H <>S+ 0 0 49 -4,-1.5 5,-1.7 2,-0.2 4,-0.2 0.905 116.0 47.8 -72.3 -44.1 73.4 22.9 1.5 74 234 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.944 113.2 47.7 -62.1 -44.3 73.2 19.2 1.7 75 235 A S H 3<5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 102.8 63.1 -76.6 -17.1 69.5 19.1 2.2 76 236 A A T 3<5S- 0 0 72 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.456 123.5-103.8 -81.2 -3.0 69.0 21.5 -0.7 77 237 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.534 70.4 145.5 95.7 8.2 70.5 18.7 -2.9 78 238 A Y < - 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