# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1qw6 # POINT_FILE ./pocket_res_ptf/1qw6_3AR_A_902.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_1qw6_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0265 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 3 0 2 0 0 0 1 0 0 0 0 0 -0.0273 8 5 2 1 0 0 0 2 0 1 0 5 207.318 0 0 0 0 -1 4 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 6 0 0 0 0 0 0 0 8 0 0 0 8 0 0 0 0 0 0 0 0 1 0 0 7 0 0 0 1 7 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 5 5 2 0 0 0 0 0 1 0 0 0 -2.035 15 12 2 1 0 0 1 2 0 0 6 4 409.967 0 0 0 0 5 37 19 3 0 0 0 0 1 0 0 0 0 4 0 0 0 0 0 0 0 7 0 0 0 7 0 8 0 7 8 0 0 0 0 0 0 1 10 0 0 4 0 0 0 11 4 0 0 5 7 3 4 0 0 0 5 0 1 0 0 0 -3.2162 25 15 4 6 0 0 1 4 0 5 4 13 575.112 0 0 0 0 -3 35 274 1 0 0 0 0 4 0 5 0 1 2 0 0 0 0 2 0 3 6 1 0 0 5 0 15 5 8 17 0 0 0 0 0 0 4 10 0 3 8 0 0 0 17 8 0 0 6 17 3 4 0 0 1 3 2 1 0 0 0 -3.8758 37 26 5 6 0 0 1 4 1 4 4 18 994.402 0.999 0.999 0 0.999 2 45 387 0 0 0 0 0 2 3 3 0 7 3 0 0 2 0 3 0 4 7 3 0 0 15 3 16 3 19 15 0 3 0 0 3 0 2 17 0 11 4 0 0 3 30 4 0 0 # 1.38 -2.3 63.09 Env_1qw6_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0274 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 57 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2096 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 236 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 0 5 1 4 2 0 0 0 0 0 0 0 1 0 0 5 0 0 0 1 5 0 0 0 1 3 0 0 0 0 1 0 0 0 0 0 -1.1608 5 4 0 1 0 0 0 0 0 1 3 1 112.683 0 0 0 0 2 11 185 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 3 0 0 0 0 1 0 3 1 4 1 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 1 7 2 1 0 0 1 2 0 0 0 0 0 -1.1576 14 10 2 2 0 0 0 1 1 2 3 6 372.884 0 0 0 0 1 19 200 0 0 0 0 0 0 0 3 0 0 2 0 0 0 2 0 0 3 4 0 0 0 4 0 7 3 7 7 0 0 0 0 0 0 0 4 0 1 9 0 0 0 5 9 0 0 4 8 6 3 0 0 0 2 0 0 0 0 0 -1.6398 23 18 3 2 0 0 0 3 0 2 6 12 620.703 0 0 0 0 5 34 384 0 0 0 0 0 0 0 1 0 2 4 0 1 0 4 1 4 3 3 0 0 0 11 0 11 1 14 9 0 0 0 0 0 0 0 7 0 1 15 0 0 0 8 15 0 0 5 12 2 6 0 0 0 4 1 2 0 0 0 -4.1389 32 19 6 7 0 0 2 6 0 4.5 3 19 789.03 0.333 0.333 0 0.333 -5 31 632 0 3 0 0 0 0 1 1 0 3 8 0 1 0 1 5 3 0 3 3 0 0 16 4 11 1 16 12 3 1 0 0 1 0 0 13 0 1 17 0 0 1 14 17 0 0 # -4.3 -3.58 61.84 Env_1qw6_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0397 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 28 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 113 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 4 1 0 1 1 0 4 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1222 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 47 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 0 1 1 0 1 0 0 2 0 0 1 0 0 0 0 0 2 1 0 0 0 4 7 0 3 0 0 0 1 3 1 0 0 0 -1.8724 19 11 3 5 0 0 1 3 0 2.5 0 9 469.152 1.332 1.332 0 1.332 -4 23 455 0 3 0 1 0 0 3 3 0 4 0 0 1 0 0 0 4 0 0 0 0 0 5 7 4 3 5 7 3 4 0 0 18 0 0 1 0 0 0 0 0 18 1 0 0 0 4 16 3 4 0 0 0 1 1 0 0 0 0 -1.5293 29 23 4 2 0 0 0 4 0 1.5 3 14 813.069 0.666 0.666 0 0.666 6 35 557 0 3 0 5 0 0 0 4 0 3 0 0 5 0 1 0 1 0 3 4 0 0 13 8 4 4 13 8 3 5 0 0 16 0 0 8 4 1 0 0 0 16 13 0 0 0 3 6 3 2 2 0 0 3 0 1 1 0 0 -4.0866 21 12 4 4 1 0 1 2.5 1.5 3 3 7 524.014 0.666 0 0.666 0.666 -1 46 650 0 4 1 1 0 0 0 1 0 0 0 0 1 0 2 0 0 0 8 3 0 0 6 5 9 1 6 10 4 1 0 0 8 0 0 8 3 2 0 0 0 8 13 0 0 0 # 2.03 -4.63 53.62 Env_1qw6_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1 1 0 0 0 0 0 0 0 0 0 1 33.51 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 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 75 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 4 0 0 0 1 0 5 0 2 4 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.9499 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 57 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 4 0 1 3 0 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 2 7 3 1 0 0 0 1 1 0 0 0 0 -1.0582 15 12 1 2 0 0 0 1 0 1.5 3 5 407.99 0.666 0.666 0 0.666 3 25 377 0 0 0 0 0 0 2 0 0 1 0 0 4 0 2 0 0 4 2 0 0 0 7 2 6 0 11 2 0 2 0 0 2 0 0 7 0 0 6 0 0 2 7 6 0 0 4 12 2 4 0 0 1 4 1 0 0 0 0 -3.9274 28 18 5 5 0 0 0 4 1 4.5 4 13 707.569 0.333 0.333 0 0.333 2 39 516 0 0 0 0 0 0 3 5 0 7 1 0 1 1 2 0 2 2 1 3 0 0 15 3 5 5 17 8 0 3 0 0 8 0 0 10 0 1 9 0 0 8 11 9 0 0 6 10 6 4 0 0 0 4 0 1 0 0 0 -1.5935 31 22 4 5 0 0 1 4 0 4 6 20 797.141 0 0 0 0 0 33 452 0 0 0 0 0 0 3 5 0 4 3 0 0 3 3 0 2 3 2 3 0 0 16 3 7 5 19 9 0 3 0 0 11 0 0 7 0 2 11 0 0 11 9 11 0 0 # -2.45 -4.98 58.83 Env_1qw6_4 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0031 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2082 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 75 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 5 0 1 5 0 0 0 0 0 0 4 0 0 2 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 -1.8548 4 1 0 3 0 0 1 0 0 2 0 2 73.655 0 0 0 0 -2 4 41 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 0 0 1 1 0 1 1 0 0 0 3 1 0 0 5 10 0 5 0 0 0 3 0 1 0 0 0 -1.9104 24 15 5 4 0 0 1 5 0 3 0 14 622.335 0 0 0 0 -6 22 302 1 2 3 0 0 3 0 0 0 2 3 0 0 0 0 7 0 0 0 3 0 0 9 2 13 0 9 13 2 0 0 0 0 0 3 4 0 12 5 0 0 0 19 5 0 0 4 11 0 3 2 0 0 2 0 0 0 0 0 -1.9442 22 15 5 2 0 0 0 3.5 1.5 2 0 11 587.195 0.333 0 0.333 0.333 0 26 372 3 5 4 0 0 0 0 0 0 2 3 0 0 0 0 1 0 0 0 4 0 0 12 5 5 0 12 5 5 0 0 0 0 0 0 7 0 9 6 0 0 0 16 6 0 0 4 9 2 3 1 0 0 8 0 1 0 0 0 -6.7368 28 15 4 9 0 0 1 3.5 0.5 8 2 12 666.332 0.666 0 0.666 0.666 -5 51 392 0 3 7 0 0 0 0 0 0 2 3 0 0 1 4 1 0 2 3 2 0 0 12 3 13 0 14 11 3 0 0 0 0 0 0 7 0 10 11 0 0 0 17 11 0 0 # 7.03 1.59 64.81 Env_1qw6_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3948 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1427 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 34 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 3 9 0 3 0 0 0 2 0 0 0 0 0 -0.4986 17 12 3 2 0 0 0 3 0 2 0 11 467.519 0 0 0 0 0 7 165 0 0 0 0 0 1 0 0 0 0 4 0 0 1 3 3 0 0 0 5 0 0 13 0 4 0 13 4 0 0 0 0 0 0 1 9 0 2 5 0 0 0 12 5 0 0 5 17 1 5 0 0 0 0 0 1 0 0 0 -1.6267 29 23 5 1 0 0 1 5 0 0 1 13 848.944 0 0 0 0 5 37 217 0 0 0 0 0 5 0 1 0 1 10 0 0 3 3 5 0 0 0 1 0 0 18 0 10 1 18 11 0 0 0 0 0 0 5 6 0 6 12 0 0 0 17 12 0 0 3 8 9 2 0 0 1 9 0 3 0 0 0 -7.4225 35 20 3 12 0 0 3 2.5 0.5 9 10 16 805.127 0 0 0 0.5 -3 62 334 1 0 0 0 0 3 0 3 3 6 2 0 0 6 3 4 0 0 4 0 0 0 18 0 14 3 18 14 3 0 0 0 3 0 3 12 0 9 8 0 0 3 24 8 0 0 # 2.01 0.8 65.23 Env_1qw6_6 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0874 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 2 0 2 0 0 0 1 0 0 0 0 0 -0.2254 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 101 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 5 0 0 6 0 1 0 6 1 0 0 0 0 0 0 0 6 0 0 1 0 0 0 6 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.8871 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 7 3 3 0 0 0 2 0 1 0 0 0 -2.2787 18 12 3 3 0 0 1 3 0 2 3 10 463.709 0 0 0 0 0 19 315 3 0 1 0 0 3 0 0 0 0 0 0 0 5 0 6 0 0 0 0 0 0 8 0 10 0 8 10 0 0 0 0 0 0 3 8 0 3 4 0 0 0 14 4 0 0 6 7 3 6 0 0 0 3 0 0 0 0 0 -1.8548 25 16 6 3 0 0 0 6 0 3 3 14 623.277 0 0 0 0 -3 29 509 0 0 3 0 0 5 0 0 0 0 1 0 2 6 5 3 0 0 0 0 0 0 14 0 11 0 14 11 0 0 0 0 0 0 5 7 0 5 8 0 0 0 17 8 0 0 3 13 0 3 0 0 0 5 0 1 1 0 0 -3.5555 26 16 3 6 1 0 1 3 0 5 0 14 679.719 0 0 0 0 -1 22 373 0 0 5 0 2 1 0 0 0 1 5 0 3 0 4 5 0 0 0 0 0 0 13 0 13 0 13 13 0 0 0 0 0 0 1 2 0 14 9 0 0 0 17 9 0 0 # 3.51 3.89 63.63