# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3cqw # POINT_FILE ./pocket_res_ptf/3cqw_CQW_A_999.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_3cqw_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0024 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 14 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3396 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 126 0 0 0 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 4 1 1 0 4 1 0 1 0 0 0 0 0 0 1 4 1 0 0 0 5 1 0 0 0 1 3 0 0 0 0 1 0 0 0 0 0 -0.769 5 4 0 1 0 0 0 0 0 1 3 2 118.625 0 0 0 0 2 8 112 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 3 1 1 0 3 1 0 1 0 0 0 0 0 0 1 3 1 0 0 0 4 1 0 0 3 4 4 1 0 0 0 3 0 0 0 0 0 -1.2139 15 11 1 3 0 0 0 1 0 3 4 8 389.273 0 0 0 0 3 19 558 0 2 0 3 0 0 0 0 0 0 0 0 0 4 0 0 3 0 3 0 0 0 4 5 6 0 4 6 2 3 0 0 3 0 0 0 5 2 5 0 0 3 7 5 0 0 1 7 6 2 0 0 0 1 2 2 0 0 0 -4.1303 21 14 2 5 0 0 2 2 0 2 6 6 504.747 0.999 0.999 0 0.999 1 39 701 0 2 0 3 0 0 1 1 0 0 2 0 0 6 0 0 5 0 1 0 0 0 8 6 6 1 8 7 2 4 0 0 8 0 0 2 3 1 7 0 0 8 6 7 0 0 6 16 3 4 1 0 0 3 4 1 0 0 0 -4.6542 38 25 5 8 0 0 1 4.5 0.5 5 3 16 980.085 2.331 1.998 0.333 2.331 1 62 1680 0 3 1 0 0 0 14 4 0 0 5 0 1 3 0 0 4 0 3 0 0 0 9 17 8 4 9 12 3 14 0 0 13 0 7 6 7 0 5 0 0 13 20 5 0 0 # 10.16 11.55 18.51 Env_3cqw_1 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0381 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 64 0 0 0 1 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 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 -0.4104 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 280 0 0 0 4 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 4 1 0 1 1 0 4 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 1 0 0 0 0 0 0 1 3 0 0 0 0 -2.1901 5 1 0 4 0 0 0 0 0 2.5 0 1 74.484 1.332 1.332 0 1.332 -4 12 225 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 4 1 0 0 1 0 4 0 0 1 0 0 0 0 0 4 0 0 1 0 4 0 0 2 4 2 2 0 1 0 0 0 2 0 0 0 -0.8717 13 8 3 2 0 0 2 2 1 0 2 5 331.327 1.333 0.333 1 1.333 0 23 151 0 0 0 0 0 0 1 1 0 0 0 1 0 5 0 0 4 0 1 0 0 0 5 2 5 1 5 6 1 1 0 0 1 0 0 1 1 0 10 0 0 1 2 10 0 0 3 6 5 1 0 0 0 2 1 0 0 0 0 -2.867 18 14 1 3 0 0 0 1 0 2.5 6 3 469.887 0.333 0.333 0 0.333 4 48 154 0 0 4 0 0 0 2 1 0 2 0 1 0 5 0 0 1 0 2 0 0 0 7 3 7 1 7 8 1 2 0 4 2 0 0 3 1 0 8 0 0 6 4 8 0 0 2 10 2 1 0 0 0 2 1 1 1 1 0 -3.2129 21 14 1 4 2 0 1.5 1 0 2.5 2 8 576.623 0.333 0.333 0 0.333 4 31 185 0 0 3 2 1 0 2 1 0 3 4 1 1 0 0 0 1 0 2 0 0 0 8 5 7 1 8 8 1 4 0 3 5 0 0 5 2 0 6 0 0 8 7 6 0 0 # 5.15 -3.75 20.78 Env_3cqw_2 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 11 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 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 67 4 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 27 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 3 9 0 5 0 0 0 2 0 0 0 0 0 -2.2277 19 12 5 2 0 0 0 5 0 2 0 14 495.793 0 0 0 0 -2 8 212 0 0 0 0 0 0 0 0 0 1 3 0 7 0 0 0 0 0 6 2 0 0 13 0 6 0 13 6 0 0 0 0 0 0 0 16 0 0 3 0 0 0 16 3 0 0 6 18 4 3 0 0 0 3 0 0 0 0 0 -0.3125 34 28 3 3 0 0 0 3 0 3 4 17 975.333 0 0 0 0 11 36 660 0 0 0 0 0 0 4 0 0 2 5 1 5 1 0 0 0 0 6 10 0 0 23 5 6 0 23 6 1 4 0 0 0 0 0 26 0 0 8 0 0 0 26 8 0 0 3 13 4 2 0 0 0 5 0 0 1 0 0 -4.9788 28 20 2 5 1 0 0 2 0 5 5 12 741.578 0 0 0 0 8 38 539 1 0 0 0 0 0 1 0 0 2 4 2 1 1 0 0 0 0 8 8 0 0 17 3 8 0 17 8 2 1 0 0 0 0 0 22 0 0 6 0 0 0 22 6 0 0 # 3.8 3.65 10.89 Env_3cqw_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0237 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 26 0 0 0 0 0 0 0 0 0 0 0 0 1 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 104 0 0 0 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -1.7234 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 36 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 2 1 0 1 2 1 1 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 4 10 0 4 0 0 0 1 0 0 1 0 0 -0.4884 20 14 4 1 1 0 0 4 0 1 0 13 563.703 0 0 0 0 2 13 209 1 0 0 0 0 0 3 1 0 0 9 4 2 0 0 0 0 0 0 0 0 0 12 7 0 1 12 1 4 3 0 0 1 0 3 14 0 0 2 0 0 1 17 2 0 0 3 17 0 3 0 0 0 7 0 1 0 0 0 -5.5992 31 20 3 8 0 0 1 3 0 7 0 18 810.226 0 0 0 0 1 28 238 1 0 3 1 0 0 4 4 1 6 8 1 0 0 0 0 2 0 0 0 0 0 15 6 6 4 15 9 2 5 0 5 4 0 3 10 2 0 7 0 0 9 15 7 0 0 7 12 1 7 0 0 1 2 1 1 0 0 0 -2.5657 32 20 8 4 0 0 1 7.5 0.5 2.5 2 19 824.1 0.666 0.666 0 1.166 -5 33 268 3 0 2 2 0 0 3 2 3 6 5 1 0 1 0 0 4 0 0 0 0 0 15 6 9 2 15 8 4 5 0 3 5 0 2 9 3 0 10 0 0 8 14 10 0 0 # 2.53 6.06 22.83 Env_3cqw_4 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 33 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 1 0 2 0 0 0 1 0 0 0 0 0 0.2306 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 208 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 4 0 0 5 1 0 0 5 0 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.7956 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 138 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 7 0 4 0 0 0 2 0 0 0 0 0 -1.3141 16 10 4 2 0 0 0 4 0 2 0 12 414.636 0 0 0 0 -2 6 408 0 0 0 0 0 0 0 3 0 6 0 6 1 0 0 0 0 0 0 0 0 0 7 6 0 3 7 3 6 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 5 20 0 4 0 0 0 1 0 0 0 0 0 -0.0316 30 25 4 1 0 0 0 4 0 1 0 15 905.792 0 0 0 0 10 30 485 2 0 0 0 0 0 0 2 0 6 12 5 3 0 0 0 0 0 0 0 0 0 23 5 0 2 23 2 5 0 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 2 14 0 1 0 0 0 7 0 0 0 0 0 -4.7775 24 16 1 7 0 0 0 1 0 7 0 14 630.755 0 0 0 0 -2 27 639 2 0 0 0 0 0 0 2 0 3 6 8 2 1 0 0 0 0 0 0 0 0 14 8 0 2 14 2 8 0 0 0 0 0 0 24 0 0 0 0 0 0 24 0 0 0 # 9.81 1.85 12.2 Env_3cqw_5 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 16 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 89 0 0 0 0 0 0 0 1 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 74 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 6 2 1 0 0 0 2 0 0 0 0 0 -0.2205 14 11 1 2 0 0 0 1 0 2 2 8 391.757 0 0 0 0 3 14 326 0 0 0 0 0 0 0 3 0 0 5 2 0 3 0 0 0 0 0 1 0 0 9 2 0 3 9 3 2 0 0 0 1 0 0 11 0 2 0 0 0 1 13 0 0 0 2 13 5 5 0 0 0 1 0 0 0 0 0 -2.9131 26 20 5 1 0 0 0 5 0 1 5 13 705.55 0 0 0 0 6 29 744 0 0 0 0 0 0 0 0 0 3 3 3 0 9 0 0 4 0 0 4 0 0 19 3 4 0 19 4 3 0 0 0 9 0 0 13 0 4 0 0 0 9 17 0 0 0 4 12 5 3 0 0 0 2 0 3 0 0 0 -3.5708 29 21 3 5 0 0 3 3 0 2 5 12 785.635 0 0 0 0 5 43 891 0 0 0 3 0 0 0 0 0 4 2 5 0 7 0 0 5 0 2 1 0 0 14 8 7 0 14 7 5 3 0 0 6 0 0 12 0 3 8 0 0 6 15 8 0 0 # 10.7 6.86 13.95 Env_3cqw_6 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0388 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 22 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 1 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 1 0 0 0 -0.6162 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 174 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 5 0 0 0 0 0 1 1 5 0 1 5 0 1 0 0 0 0 0 1 0 0 6 0 0 0 1 6 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.8116 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 22 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 2 6 3 1 0 0 0 2 1 2 0 0 0 -2.5519 17 11 1 5 0 0 2 1 0 2.5 3 6 420.288 0.666 0.666 0 0.666 0 30 372 0 0 1 5 0 0 0 0 0 4 0 1 0 3 0 0 2 0 1 0 0 0 7 6 4 0 7 4 1 5 0 1 0 0 0 5 0 0 11 0 0 1 5 11 0 0 4 8 4 2 0 0 0 1 2 0 1 0 0 -1.9834 22 16 2 3 1 0 0 2 0 2 5 8 570.963 0.666 0.666 0 0.666 5 38 311 0 0 4 2 0 0 1 0 0 1 0 2 2 5 0 0 3 0 2 0 0 0 8 5 9 0 8 9 2 3 0 4 1 0 0 5 0 0 12 0 0 5 5 12 0 0 4 13 2 5 0 1 0 4 0 0 1 0 0 -4.3928 30 19 6 4 1 0 0 5 1 4 2 14 796.765 1.333 0.333 1 1.333 2 46 282 0 0 3 0 0 0 2 0 0 1 9 4 5 2 0 0 2 0 2 0 0 0 17 6 7 0 17 7 4 2 0 4 3 0 4 13 1 0 5 0 0 7 18 5 0 0 # 2.66 -0.86 20.75