==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDOGLYCAN-BINDING PROTEIN 26-APR-11 2LCA . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN RV0899/MT0922; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.MARASSI,Y.YAO . 130 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 5.4 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 . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 1 0 0 1 0 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 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 PARALLEL 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 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 1 196 A G 0 0 139 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 3.6 -7.5 24.1 2 197 A Q - 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.976 360.0-120.2-134.0 117.0 3.7 -9.1 20.7 3 198 A A - 0 0 72 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.299 45.6 -95.0 -53.1 132.4 2.3 -12.6 19.9 4 199 A P - 0 0 114 0, 0.0 2,-2.6 0, 0.0 -1,-0.1 -0.270 29.5-125.0 -55.1 128.7 5.2 -14.8 18.5 5 200 A P S S+ 0 0 123 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.251 71.5 123.6 -72.4 53.6 5.2 -14.8 14.6 6 201 A G + 0 0 59 -2,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.733 34.8 176.2-117.6 81.0 5.0 -18.6 14.6 7 202 A P - 0 0 68 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.777 13.3-165.6 -90.5 109.4 1.9 -19.5 12.5 8 203 A P S S- 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.963 89.4 -0.6 -56.9 -59.8 1.6 -23.3 12.1 9 204 A A S S+ 0 0 85 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.155 116.1 99.9-118.5 16.4 -1.0 -23.3 9.3 10 205 A S + 0 0 44 1,-0.1 48,-0.1 3,-0.0 3,-0.1 -0.792 66.5 36.7-107.2 146.9 -1.4 -19.6 9.0 11 206 A G S S+ 0 0 36 -2,-0.3 2,-0.3 1,-0.1 48,-0.2 -0.682 86.2 87.8 118.3 -77.9 0.1 -17.4 6.4 12 207 A P + 0 0 114 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.428 61.6 138.2 -60.6 115.6 0.2 -19.4 3.2 13 208 A a - 0 0 56 -2,-0.3 3,-0.1 1,-0.2 42,-0.0 -0.783 54.0 -38.7-146.6-176.9 -3.1 -18.7 1.6 14 209 A A S S- 0 0 63 -2,-0.2 2,-2.2 1,-0.2 3,-0.2 -0.078 74.9 -89.8 -47.4 153.4 -4.9 -17.9 -1.8 15 210 A D > + 0 0 125 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 -0.478 60.2 158.2 -75.9 81.3 -2.9 -15.7 -4.1 16 211 A L H > + 0 0 9 -2,-2.2 4,-3.6 2,-0.2 5,-0.3 0.778 68.9 65.1 -72.9 -26.7 -4.3 -12.4 -2.9 17 212 A Q H > S+ 0 0 67 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.966 108.0 36.6 -59.5 -56.3 -1.2 -10.7 -4.3 18 213 A S H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.833 117.3 56.7 -66.4 -31.3 -2.0 -11.6 -7.9 19 214 A A H X S+ 0 0 24 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.959 113.6 36.1 -63.2 -54.1 -5.7 -11.0 -7.0 20 215 A I H >X S+ 0 0 1 -4,-3.6 4,-3.2 1,-0.2 3,-0.9 0.885 113.8 58.4 -69.0 -38.1 -5.2 -7.4 -5.8 21 216 A N H 3X>S+ 0 0 77 -4,-2.8 4,-2.3 -5,-0.3 5,-0.6 0.842 100.9 58.4 -57.5 -34.4 -2.5 -6.8 -8.4 22 217 A A H 3<5S+ 0 0 79 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.799 113.7 37.2 -66.3 -29.7 -5.2 -7.6 -11.0 23 218 A V H <<5S+ 0 0 42 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.888 119.8 44.3 -89.0 -46.0 -7.4 -4.8 -9.6 24 219 A T H <5S- 0 0 22 -4,-3.2 -3,-0.2 2,-0.1 -2,-0.2 0.852 96.0-139.6 -67.1 -35.4 -4.7 -2.3 -8.9 25 220 A G T <5 - 0 0 65 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.751 68.9 -41.4 79.5 24.8 -3.0 -2.9 -12.1 26 221 A G S > - 0 0 74 1,-0.1 3,-0.8 2,-0.0 4,-0.7 -0.945 36.6-167.0-135.9 113.5 -10.4 4.6 -5.7 43 238 A E H 3> S+ 0 0 143 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.712 89.1 73.7 -66.7 -19.1 -12.9 1.8 -5.9 44 239 A I H 3> S+ 0 0 49 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.896 91.6 52.9 -62.0 -41.1 -9.9 -0.5 -6.3 45 240 A L H <> S+ 0 0 5 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.840 109.8 49.2 -64.1 -32.1 -9.0 -0.1 -2.6 46 241 A N H X S+ 0 0 61 -4,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.866 113.3 46.8 -72.3 -37.3 -12.6 -1.2 -1.9 47 242 A R H X S+ 0 0 117 -4,-2.1 4,-0.9 2,-0.2 3,-0.4 0.902 110.3 52.4 -69.0 -45.8 -12.2 -4.1 -4.2 48 243 A V H >X S+ 0 0 2 -4,-3.3 4,-1.1 1,-0.2 3,-0.7 0.909 104.2 57.0 -56.8 -44.4 -8.8 -5.1 -2.8 49 244 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.830 95.4 67.5 -58.9 -34.3 -10.2 -5.1 0.7 50 245 A D H 3X S+ 0 0 91 -4,-0.9 4,-0.7 -3,-0.4 -1,-0.2 0.898 105.7 38.6 -55.2 -45.8 -12.8 -7.7 -0.4 51 246 A K H < + 0 0 17 -4,-1.0 3,-1.4 1,-0.1 -1,-0.3 -0.641 69.9 161.2-130.2 74.4 -8.5 -14.6 3.9 56 251 A P T 3 + 0 0 66 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.419 68.0 78.5 -74.2 1.3 -8.0 -12.5 7.0 57 252 A D T 3 S+ 0 0 60 2,-0.1 -4,-0.1 -3,-0.0 -5,-0.0 0.783 83.3 82.7 -75.0 -29.1 -5.6 -15.3 8.2 58 253 A A S < S- 0 0 8 -3,-1.4 2,-0.4 -6,-0.2 72,-0.0 -0.156 75.7-133.1 -73.6 164.5 -3.0 -13.7 5.9 59 254 A R - 0 0 125 -48,-0.2 2,-0.4 41,-0.0 41,-0.2 -0.970 15.2-157.7-120.7 137.2 -0.8 -10.8 6.5 60 255 A V E -b 100 0A 6 39,-2.1 41,-3.5 -2,-0.4 2,-0.6 -0.961 4.1-157.1-120.4 134.6 -0.3 -8.0 4.2 61 256 A T E -bC 101 129A 49 68,-3.4 68,-2.8 -2,-0.4 2,-0.8 -0.937 7.6-155.8-111.4 113.2 2.6 -5.6 4.0 62 257 A I E -bC 102 128A 0 39,-3.8 41,-2.8 -2,-0.6 2,-0.5 -0.804 13.4-160.4 -91.9 111.6 1.9 -2.3 2.4 63 258 A N E -bC 103 127A 28 64,-3.0 64,-3.3 -2,-0.8 2,-0.4 -0.818 2.6-160.5 -98.9 125.5 5.2 -0.9 1.2 64 259 A G E -bC 104 126A 0 39,-1.3 41,-2.3 -2,-0.5 42,-0.6 -0.840 6.3-166.6-106.6 144.2 5.5 2.7 0.4 65 260 A Y E -b 106 0A 9 60,-2.7 2,-0.3 -2,-0.4 42,-0.2 -0.798 4.3-171.9-123.6 165.0 8.1 4.3 -1.7 66 261 A T - 0 0 6 40,-1.7 42,-0.2 -2,-0.3 2,-0.2 -0.904 34.1 -85.2-144.0 172.5 9.4 7.8 -2.4 67 262 A D > - 0 0 31 -2,-0.3 3,-0.6 40,-0.1 40,-0.1 -0.488 29.1-133.0 -79.9 155.2 11.7 9.7 -4.7 68 263 A N T 3 S+ 0 0 72 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.402 92.7 82.3 -90.1 1.0 15.4 9.8 -3.9 69 264 A T T 3 S+ 0 0 88 2,-0.1 -1,-0.2 45,-0.0 3,-0.1 0.684 81.0 80.5 -79.5 -15.5 15.6 13.6 -4.5 70 265 A G S < S- 0 0 42 -3,-0.6 2,-0.5 1,-0.1 -4,-0.0 -0.167 102.2 -72.6 -81.8 178.8 14.3 14.3 -1.1 71 266 A S >> - 0 0 89 1,-0.1 3,-1.5 2,-0.0 4,-0.8 -0.632 54.8-119.1 -76.3 120.3 16.1 14.3 2.2 72 267 A E T 34 S+ 0 0 161 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 -0.313 96.6 36.7 -62.7 138.7 16.9 10.7 3.2 73 268 A G T 34 S+ 0 0 38 -3,-0.0 -1,-0.2 -2,-0.0 3,-0.2 -0.242 106.3 67.4 113.0 -40.5 15.3 9.7 6.4 74 269 A I T <> S+ 0 0 104 -3,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.761 87.4 68.7 -80.9 -27.8 12.1 11.6 5.9 75 270 A N H X S+ 0 0 15 -4,-0.8 4,-3.0 2,-0.2 31,-0.6 0.829 93.4 60.2 -59.7 -33.6 11.2 9.4 3.1 76 271 A I H > S+ 0 0 80 -3,-0.2 4,-2.1 29,-0.2 30,-0.3 0.990 110.4 36.0 -60.0 -65.5 10.7 6.6 5.6 77 272 A P H > S+ 0 0 79 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.835 118.7 55.6 -57.2 -32.7 7.9 8.3 7.7 78 273 A L H >X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 3,-0.7 0.970 110.1 40.6 -65.2 -55.1 6.6 9.8 4.5 79 274 A S H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.813 111.9 58.7 -64.3 -27.9 6.2 6.5 2.6 80 275 A A H 3X S+ 0 0 30 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.794 105.3 50.4 -69.9 -27.6 4.9 5.0 5.9 81 276 A Q H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.6 0.951 114.1 45.1 -64.1 -49.9 -8.8 -1.4 4.1 91 286 A V H ><5S+ 0 0 65 -4,-3.3 3,-1.7 1,-0.3 -2,-0.2 0.885 110.6 55.1 -60.5 -38.9 -9.7 -1.4 7.8 92 287 A A H 3<5S+ 0 0 59 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.763 105.2 54.4 -64.9 -26.0 -12.6 1.0 7.0 93 288 A R T <<5S- 0 0 124 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.368 134.2 -89.5 -89.1 4.0 -13.8 -1.6 4.5 94 289 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.588 79.8 142.8 100.9 10.9 -13.8 -4.3 7.2 95 290 A V < - 0 0 10 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.667 61.3-103.6 -85.6 141.9 -10.2 -5.6 6.9 96 291 A A > - 0 0 45 -2,-0.3 3,-1.9 -44,-0.2 4,-0.3 -0.514 27.0-159.8 -68.1 108.1 -8.5 -6.6 10.1 97 292 A G G > S+ 0 0 34 -2,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.811 89.4 63.3 -57.8 -33.4 -6.0 -3.8 10.8 98 293 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.670 104.0 49.1 -67.3 -15.1 -4.0 -6.0 13.1 99 294 A H G < S+ 0 0 45 -3,-1.9 -39,-2.1 -40,-0.1 2,-0.5 0.385 97.5 83.8-104.6 2.0 -3.3 -8.2 10.0 100 295 A I E < -b 60 0A 19 -3,-1.5 2,-0.5 -4,-0.3 -39,-0.2 -0.914 61.7-163.6-107.7 129.8 -2.3 -5.2 7.9 101 296 A A E -b 61 0A 36 -41,-3.5 -39,-3.8 -2,-0.5 2,-0.5 -0.958 0.3-163.5-116.7 125.3 1.3 -3.9 8.1 102 297 A T E +b 62 0A 53 -2,-0.5 2,-0.3 -41,-0.2 -39,-0.2 -0.931 15.3 172.4-111.4 122.6 2.2 -0.5 6.8 103 298 A V E -b 63 0A 50 -41,-2.8 -39,-1.3 -2,-0.5 2,-0.5 -0.863 26.1-142.1-126.2 161.1 5.8 0.3 6.2 104 299 A G E +b 64 0A 12 -2,-0.3 -24,-0.2 -41,-0.2 -39,-0.1 -0.958 20.7 169.2-126.5 111.6 7.8 3.1 4.6 105 300 A L E - 0 0 57 -41,-2.3 -29,-0.2 -2,-0.5 2,-0.2 0.535 24.7-160.1 -97.4 -8.5 10.8 2.2 2.7 106 301 A G E +b 65 0A 0 -42,-0.6 -40,-1.7 -31,-0.6 2,-0.7 -0.462 66.6 3.2 63.2-130.9 11.5 5.5 1.1 107 302 A S S S+ 0 0 39 -42,-0.2 -40,-0.1 -2,-0.2 -42,-0.1 -0.797 86.6 119.2 -91.9 114.3 13.6 5.1 -1.9 108 303 A V S S+ 0 0 76 -2,-0.7 -1,-0.2 -42,-0.2 -43,-0.1 0.479 73.7 28.2-135.0 -67.7 14.3 1.5 -2.6 109 304 A N S S- 0 0 102 -3,-0.2 2,-0.3 14,-0.1 -1,-0.1 -0.831 75.7-156.9-108.1 91.3 13.1 0.2 -5.9 110 305 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 10,-0.1 -0.535 11.1-171.8 -70.5 127.1 13.1 3.2 -8.3 111 306 A I + 0 0 97 -2,-0.3 2,-0.3 8,-0.2 9,-0.1 0.870 68.9 14.9 -85.3 -42.6 10.7 2.8 -11.2 112 307 A A S S- 0 0 36 7,-0.4 -1,-0.2 4,-0.1 2,-0.1 -0.823 94.1 -76.6-131.1 170.4 11.8 5.8 -13.2 113 308 A S > - 0 0 87 -2,-0.3 3,-1.1 1,-0.1 6,-0.4 -0.418 28.1-143.6 -69.6 136.2 14.6 8.3 -13.3 114 309 A N T 3 S+ 0 0 66 1,-0.2 -1,-0.1 5,-0.2 6,-0.1 0.534 88.5 88.1 -76.6 -7.3 14.6 11.0 -10.7 115 310 A A T 3 S+ 0 0 85 2,-0.0 -1,-0.2 4,-0.0 -2,-0.0 0.819 90.4 50.4 -59.3 -29.8 15.9 13.5 -13.2 116 311 A T S <> S- 0 0 58 -3,-1.1 4,-1.5 1,-0.1 3,-0.3 -0.885 80.6-135.2-114.3 141.0 12.3 14.1 -14.1 117 312 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.814 105.7 64.8 -59.4 -31.5 9.4 15.0 -11.7 118 313 A E H > S+ 0 0 123 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.933 102.3 45.8 -55.4 -50.8 7.3 12.5 -13.6 119 314 A G H > S+ 0 0 2 -6,-0.4 4,-2.5 -3,-0.3 -7,-0.4 0.864 109.6 55.1 -63.0 -37.0 9.5 9.6 -12.5 120 315 A R H X S+ 0 0 76 -4,-1.5 4,-1.3 -7,-0.2 -1,-0.2 0.858 103.6 56.0 -62.7 -35.6 9.5 10.9 -9.0 121 316 A A H < S+ 0 0 42 -4,-2.0 -91,-0.4 1,-0.2 -1,-0.2 0.809 110.6 44.7 -67.4 -30.7 5.7 10.8 -9.1 122 317 A K H >< S+ 0 0 96 -4,-1.2 3,-1.6 -3,-0.2 -2,-0.2 0.880 108.9 56.4 -77.5 -41.3 5.9 7.2 -10.0 123 318 A N H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.735 96.6 64.0 -63.6 -24.4 8.6 6.5 -7.4 124 319 A R T 3< S+ 0 0 44 -4,-1.3 -1,-0.3 -5,-0.1 -59,-0.2 0.337 82.5 122.5 -83.7 6.4 6.3 7.8 -4.6 125 320 A R < - 0 0 22 -3,-1.6 -60,-2.7 -61,-0.1 2,-0.3 -0.007 55.4-134.6 -58.2 170.9 3.9 5.0 -5.3 126 321 A V E -AC 28 64A 0 -98,-1.4 -98,-3.8 -62,-0.2 2,-0.4 -0.974 13.6-159.0-131.8 144.6 2.7 2.4 -2.8 127 322 A E E - C 0 63A 62 -64,-3.3 -64,-3.0 -2,-0.3 2,-0.7 -0.984 12.9-138.5-130.9 138.2 2.4 -1.4 -3.2 128 323 A I E - C 0 62A 7 -2,-0.4 2,-0.4 -66,-0.2 -66,-0.2 -0.839 24.1-170.3 -96.3 116.4 0.4 -4.0 -1.3 129 324 A V E C 0 61A 53 -68,-2.8 -68,-3.4 -2,-0.7 -2,-0.0 -0.889 360.0 360.0-109.7 138.2 2.4 -7.1 -0.7 130 325 A V 0 0 64 -2,-0.4 -70,-0.2 -70,-0.3 -113,-0.0 -0.826 360.0 360.0 -98.7 360.0 0.9 -10.3 0.7