# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2p54 # POINT_FILE ./pocket_res_ptf/2p54_735_A_469.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_2p54_0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0212 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 51 0 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 1 0 0 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 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 257 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 -1.4476 3 0 0 2 1 0 0.5 0 0 2 0 2 49.509 0 0 0 0 -3 2 111 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 0 3 0 0 0 2 0 1 0 0 0 -0.4154 16 10 3 3 0 0 1 3 0 2 0 12 417.656 0 0 0 0 -5 5 686 0 0 0 0 4 3 0 0 2 2 0 0 0 2 0 0 3 0 0 0 0 0 4 0 12 0 4 10 2 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 2 11 1 3 0 0 0 1 0 1 0 0 0 -2.1346 19 14 3 2 0 0 1 3 0 1 1 11 533.213 0 0 0 0 0 14 799 0 0 0 0 3 2 0 0 2 2 0 0 0 3 0 4 3 0 0 0 0 0 5 0 14 0 5 12 2 0 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 3 3 6 2 0 0 0 4 0 0 0 2 0 -2.4259 20 12 2 4 2 0 1 2 0 4 6 7 462.663 0 0 0 0 0 36 667 0 2 0 0 3 2 0 0 2 2 1 0 0 5 0 1 1 0 0 1 0 0 9 2 9 0 9 7 4 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 # 14.9 40.87 26.57 Env_2p54_1 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 13 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 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 -0.2082 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 164 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 6 0 0 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 -1.2002 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 158 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 2 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 0 4 0 0 0 3 0 1 0 0 0 -2.5036 18 10 4 4 0 0 1 4 0 3 0 10 440.648 0 0 0 0 -7 19 720 0 0 0 0 8 3 0 0 1 0 1 0 0 1 0 3 1 0 0 0 0 0 2 0 16 0 2 15 1 0 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 3 11 0 3 0 0 0 1 0 1 0 2 0 -1.2325 21 14 3 2 2 0 2 3 0 1 0 12 593.244 0 0 0 0 -2 16 952 0 0 0 0 5 0 0 0 3 0 2 0 0 1 0 2 4 0 0 4 0 0 7 0 14 0 7 11 3 0 0 0 20 0 0 0 0 0 1 0 0 20 0 1 0 0 2 10 10 3 0 0 3 3 0 1 0 0 0 -5.5131 32 22 6 4 0 0 1 4.5 1.5 3 13 11 792.407 0 0 0 1.5 2 59 1469 0 0 0 0 1 0 1 0 10 2 3 0 0 9 0 1 2 0 1 2 0 0 16 1 15 0 16 5 10 1 0 0 26 0 0 0 0 0 6 0 0 26 0 6 0 0 # 16.23 42.11 23.23 Env_2p54_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0249 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 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 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 1 0 0 0 -0.6476 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 218 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 1 0 0 1 0 6 0 1 6 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 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 81 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 7 0 4 0 0 0 2 0 1 0 0 0 -0.5929 18 11 4 3 0 0 1 4 0 2 0 12 465.303 0 0 0 0 -4 10 756 0 0 0 0 4 1 1 0 0 1 0 0 0 0 0 0 7 0 0 4 0 0 5 1 12 0 5 12 0 1 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 3 16 1 2 0 0 0 1 0 2 0 0 0 -2.8198 25 20 2 3 0 0 2 2 0 1 2 11 724.362 0 0 0 0 6 37 715 0 0 0 0 3 2 3 0 0 2 3 0 0 0 0 0 4 0 3 5 0 0 10 3 12 0 10 12 0 3 0 0 25 0 0 0 0 0 0 0 0 25 0 0 0 0 2 9 2 2 0 0 0 3 0 0 0 0 0 -2.6976 18 13 2 3 0 0 0 2 0 3 2 7 484.408 0 0 0 0 4 20 567 0 0 0 0 5 2 2 0 0 1 1 0 0 0 0 0 2 0 2 3 0 0 5 2 11 0 5 11 0 2 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 # 15.94 37.35 21.61 Env_2p54_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0597 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 17 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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 0.0624 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 107 0 1 0 0 0 0 0 0 0 4 0 0 0 1 0 0 0 0 0 0 0 0 5 1 0 0 5 0 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.9526 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 53 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 2 0 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 6 0 3 0 0 0 3 0 0 0 1 0 -1.9675 16 9 3 3 1 0 0.5 3 0 3 0 11 405.004 0 0 0 0 -4 8 420 1 3 0 0 3 0 2 0 1 1 0 0 0 3 0 0 0 0 0 2 0 0 7 5 4 0 7 3 4 2 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 11 1 3 0 0 0 1 1 0 0 1 0 -2.1876 21 15 3 2 1 0 0.5 3 0 1.5 1 13 584.282 0.333 0.333 0 0.333 -1 18 729 2 1 0 0 6 0 3 0 3 0 2 0 0 2 0 0 0 0 0 2 0 0 8 4 9 0 8 6 4 3 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 3 13 5 2 1 0 0 3 0 0 0 0 0 -2.9316 27 21 3 3 0 0 0 2 1 3 5 7 733.227 0.333 0.333 0 0.333 10 51 732 2 2 0 0 2 1 6 0 2 1 5 0 0 4 0 0 0 0 0 2 0 0 14 8 5 0 14 3 4 6 0 2 20 0 0 1 0 2 2 0 0 22 3 2 0 0 # 14.73 44.78 31.4 Env_2p54_4 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 24 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 0 0 1 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2712 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 157 0 0 0 0 0 0 1 0 0 1 0 0 4 0 0 0 0 0 0 0 0 0 5 1 0 0 5 0 0 1 0 0 1 0 0 0 1 4 0 0 0 1 5 0 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 -0.8933 4 2 0 1 1 0 0 0 0 1 0 1 105.035 0 0 0 0 2 9 90 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 4 0 0 0 1 9 2 3 0 0 0 0 0 0 0 0 0 -0.9508 15 12 3 0 0 0 0 3 0 0 2 6 430.553 0 0 0 0 5 18 329 0 0 0 0 0 0 3 0 0 4 0 4 0 2 2 0 0 0 0 0 0 0 8 7 0 0 8 0 4 3 0 0 11 0 0 0 4 0 0 0 0 11 4 0 0 0 5 13 2 1 0 1 0 4 1 0 0 0 0 -1.6242 27 20 2 5 0 0 0 1 1 4.5 2 13 745.109 1.666 0.666 1 1.666 4 39 679 0 0 0 3 2 0 4 0 0 1 2 4 1 6 4 0 0 0 0 0 0 0 14 11 2 0 14 2 4 7 0 6 19 0 0 1 1 0 0 0 0 25 2 0 0 0 3 9 2 2 0 0 1 3 1 0 1 0 0 -3.4444 22 14 3 4 1 0 0 2.5 0.5 3.5 3 10 572.713 0.333 0.333 0 0.833 3 33 619 0 1 0 3 1 0 1 0 1 1 6 2 1 4 1 0 0 0 0 0 0 0 13 7 2 0 13 1 4 4 0 4 16 0 0 1 1 0 0 0 0 20 2 0 0 0 # 5.11 38.39 29.32 Env_2p54_5 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 20 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 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 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 191 0 0 0 0 0 0 0 0 1 1 0 0 0 4 0 0 0 0 0 0 0 0 5 0 1 0 5 0 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.389 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 99 0 0 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 4 1 0 0 4 0 0 1 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 7 2 3 0 0 0 2 0 0 0 1 0 -1.0085 19 13 3 2 1 0 0.5 3 0 2 2 12 513.572 0 0 0 0 -1 15 712 0 2 0 0 5 0 1 0 3 4 0 0 0 2 0 0 0 0 0 2 0 0 8 3 8 0 8 5 5 1 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 2 9 3 3 0 0 0 3 0 0 0 0 0 -2.722 20 14 3 3 0 0 0 3 0 3 3 11 525.066 0 0 0 0 1 25 480 1 2 0 0 4 4 1 0 1 2 0 0 0 3 0 0 0 0 0 2 0 0 8 3 9 0 8 8 3 1 0 2 17 0 0 0 1 0 0 0 0 19 1 0 0 0 3 10 6 2 0 0 1 3 0 0 0 1 0 -2.5765 26 19 3 3 1 0 0.5 2.5 0.5 3 7 9 673.355 0 0 0 0.5 5 39 754 3 1 0 1 4 3 2 0 3 1 0 0 0 5 0 0 0 0 0 3 0 0 12 4 10 0 12 7 4 3 0 5 18 0 0 0 1 0 2 0 0 23 1 2 0 0 # 13.49 45.38 27.84 Env_2p54_6 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0212 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 40 0 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 1 0 0 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 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 305 0 0 0 0 5 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 5 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 -1.4476 3 0 0 2 1 0 0.5 0 0 2 0 2 49.509 0 0 0 0 -3 2 151 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 1 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 5 2 3 0 0 0 2 0 1 0 1 0 -1.9244 17 10 3 3 1 0 1.5 3 0 2 2 10 424.257 0 0 0 0 -6 12 963 0 1 0 0 6 1 0 0 5 1 0 0 0 2 0 0 1 0 0 0 0 0 3 1 13 0 3 8 6 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 3 8 0 3 0 0 2 1 0 0 0 1 0 -1.1538 18 11 5 1 1 0 0.5 4 1 1 2 12 483.752 0 0 0 1 -5 14 764 0 1 0 0 4 3 0 0 2 2 1 0 0 2 0 0 3 0 0 0 0 0 5 1 12 0 5 10 3 0 0 1 17 0 0 0 0 0 0 0 0 18 0 0 0 0 2 13 2 2 0 0 0 3 0 0 0 0 0 -2.336 22 17 2 3 0 0 0 2 0 3 2 8 612.506 0 0 0 0 8 27 703 0 3 0 0 1 2 0 0 1 3 2 0 0 2 0 1 2 0 0 5 0 0 12 3 7 0 12 6 4 0 0 2 17 0 0 0 0 3 0 0 0 19 3 0 0 0 # 17.96 42.4 28.27 Env_2p54_7 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 68 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.5155 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 427 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 7 0 0 7 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.3795 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 180 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 0 3 0 0 0 2 0 0 0 0 0 0.0601 15 10 3 2 0 0 0 3 0 2 0 11 400.499 0 0 0 0 -3 5 711 0 0 0 0 6 2 3 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 1 3 11 0 1 11 0 3 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 2 7 0 3 0 0 0 1 0 3 0 1 0 -2.226 17 9 3 4 1 0 3.5 3 0 1 0 11 433.487 0 0 0 0 -7 14 744 0 0 0 0 4 2 2 0 0 0 0 0 0 0 0 2 3 0 1 3 0 0 3 2 12 0 3 12 0 2 0 0 16 0 0 0 1 0 0 0 0 16 1 0 0 0 4 7 1 3 0 0 0 3 2 0 0 0 0 -3.6839 20 12 3 5 0 0 0 3 0 4 2 9 474.436 0.999 0.999 0 0.999 -3 29 1146 1 0 0 0 3 1 4 0 2 0 0 0 0 0 0 0 3 0 2 4 0 0 5 4 11 0 5 9 2 4 0 0 17 0 0 0 3 0 0 0 0 17 3 0 0 0 # 18.12 37.39 24.72