# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3biz # POINT_FILE ./pocket_res_ptf/3biz_61E_A_576.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_3biz_0 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 53 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2806 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 257 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 5 0 0 5 0 1 0 0 0 0 0 1 0 0 5 0 0 0 1 5 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.9639 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 194 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 3 8 2 2 0 0 0 3 0 0 0 1 0 -1.7664 19 13 2 3 1 0 0.5 2 0 3 2 12 510.929 0 0 0 0 -1 15 488 3 0 2 0 5 0 4 0 0 1 0 0 0 0 0 0 0 0 4 0 0 0 4 4 11 0 4 11 0 4 0 0 0 0 0 12 0 0 7 0 0 0 12 7 0 0 4 5 1 2 0 0 0 2 1 0 0 0 0 -0.9045 15 10 2 3 0 0 0 2 0 2.5 2 8 367.648 0.666 0.666 0 0.666 -1 19 707 2 0 2 0 0 0 2 0 0 4 0 0 0 0 0 0 0 0 5 0 0 0 6 2 7 0 6 7 0 2 0 0 0 0 0 12 2 0 1 0 0 0 14 1 0 0 1 11 4 3 0 0 0 3 1 2 0 0 0 -6.4212 25 16 3 6 0 0 2 3 0 3.5 4 9 627.606 0.333 0.333 0 0.333 4 42 1062 0 1 5 0 1 0 1 0 0 4 0 4 0 2 0 1 0 0 4 2 0 0 8 6 11 0 8 11 5 1 0 0 0 0 0 18 2 0 5 0 0 0 20 5 0 0 # 8.95 57.93 27.67 Env_3biz_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 128 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 4 0 5 0 0 0 0 0 0 1 0 1 0 3 0 0 0 2 3 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 39 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 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 3 1 1 0 0 0 4 1 0 0 0 0 -2.2581 12 6 1 5 0 0 0 1 0 4.5 1 9 268.321 0.333 0.333 0 0.333 -5 7 550 0 0 2 1 1 0 0 2 0 1 0 0 0 1 0 4 0 0 0 0 0 0 2 1 7 2 2 9 0 1 0 0 1 0 4 2 4 0 1 0 0 1 10 1 0 0 4 9 2 3 0 0 0 0 0 1 0 0 0 0.317 19 15 3 1 0 0 1 3 0 0 2 9 529.367 0.333 0.333 0 0.333 3 19 907 0 0 2 2 2 0 0 0 0 6 1 0 0 5 0 1 0 0 0 0 0 0 12 2 5 0 12 5 0 2 0 0 3 0 1 11 2 0 2 0 0 3 14 2 0 0 4 6 3 5 0 0 0 3 1 1 0 0 0 -4.3793 23 13 5 5 0 0 1 5 0 3.5 4 13 538.193 0.333 0.333 0 0.333 -4 33 1200 2 0 2 4 2 0 0 0 0 3 2 0 0 4 0 1 0 0 3 0 0 0 11 4 8 0 11 8 0 4 0 0 8 0 0 7 2 0 6 0 0 8 9 6 0 0 # 8.46 52.08 20.73 Env_3biz_2 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 75 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 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 0.0624 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 425 0 0 0 0 0 0 0 1 0 4 0 1 0 0 0 0 0 0 0 0 0 0 4 1 0 1 4 1 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.9778 4 3 0 1 0 0 0 0 0 1 0 2 112.024 0 0 0 0 1 4 275 0 0 0 0 0 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 2 1 0 1 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 4 0 1 0 0 0 3 0 0 0 0 0 -1.1677 10 6 1 3 0 0 0 1 0 3 0 7 249.679 0 0 0 0 -1 6 694 0 0 0 0 0 0 1 2 0 1 0 4 0 0 0 0 0 0 0 2 0 0 3 5 0 2 3 2 4 1 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 3 9 0 4 0 0 0 0 1 0 0 0 0 -0.5326 17 12 4 1 0 0 0 4 0 0.5 0 9 459.874 0.666 0.666 0 0.666 1 17 1114 0 0 0 0 0 0 6 0 0 0 0 3 0 3 0 1 0 0 0 4 0 0 7 9 1 0 7 1 3 6 0 0 0 0 0 16 0 0 1 0 0 0 16 1 0 0 1 7 4 1 0 0 0 1 1 2 0 0 0 -3.6978 17 12 1 4 0 0 2 1 0 1.5 4 5 442.304 0.333 0.333 0 0.333 2 37 999 0 0 0 0 0 0 2 0 0 0 0 4 0 5 0 3 0 0 2 1 0 0 6 6 5 0 6 5 4 2 0 0 0 0 0 12 0 0 5 0 0 0 12 5 0 0 # 1.63 57.7 20.14 Env_3biz_3 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 10 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 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 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 209 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 1 0 5 0 0 0 1 5 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 -0.8655 3 1 0 1 1 0 0.5 0 0 1 0 2 71.525 0 0 0 0 -2 2 179 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 2 0 0 2 5 4 3 0 0 0 3 0 1 0 0 0 -3.0996 18 11 3 4 0 0 1 3 0 3 4 9 428.762 0 0 0 0 -1 20 1029 0 0 3 0 0 0 1 1 0 2 0 0 0 0 0 4 0 0 7 0 0 0 2 1 14 1 2 15 0 1 0 0 0 0 0 3 4 0 11 0 0 0 7 11 0 0 7 5 3 2 0 0 0 2 1 1 0 0 0 0.3698 21 15 2 4 0 0 1 2 0 2.5 4 11 519.504 0.666 0.666 0 0.666 -1 32 1070 0 0 2 0 0 0 4 4 0 2 0 0 0 5 0 1 0 0 3 0 0 0 7 4 6 4 7 10 0 4 0 0 0 0 0 11 4 0 6 0 0 0 15 6 0 0 1 12 2 3 0 0 0 4 1 0 0 0 0 -5.6329 23 15 3 5 0 0 0 3 0 4.5 2 9 601.488 0.333 0.333 0 0.333 2 33 832 1 0 1 0 0 0 4 3 0 2 0 4 1 4 0 1 0 0 0 2 0 0 10 8 2 3 10 5 4 4 0 0 0 0 0 15 2 0 6 0 0 0 17 6 0 0 # 10.67 55.07 25.82 Env_3biz_4 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 64 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 276 0 0 0 0 0 0 0 0 0 2 0 0 0 4 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 0 3 0 0 0 0 2 0 0 0 0 0 -1.375 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 218 0 0 0 0 0 0 0 1 0 1 0 0 0 3 0 0 0 0 0 0 0 0 4 0 0 1 4 1 0 0 0 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 4 8 2 4 0 0 0 2 0 0 0 1 0 -1.2487 21 14 4 2 1 0 0.5 4 0 2 2 13 561.219 0 0 0 0 -1 17 352 0 0 0 0 2 0 0 1 0 9 1 3 0 2 0 3 0 0 0 0 0 0 12 3 5 1 12 6 3 0 0 0 1 0 3 14 0 0 3 0 0 1 17 3 0 0 2 14 2 4 0 0 0 4 0 0 0 0 0 -3.949 26 18 4 4 0 0 0 4 0 4 2 15 691.726 0 0 0 0 2 23 379 0 0 2 0 1 0 0 3 0 4 2 3 1 5 1 3 0 0 0 1 0 0 14 3 6 3 14 9 3 0 0 3 2 0 2 12 0 0 7 0 0 5 14 7 0 0 7 10 2 5 0 0 0 5 0 1 0 0 0 -0.929 30 19 5 6 0 0 1 5 0 5 2 22 762.082 0 0 0 0 -5 18 526 1 0 2 0 3 0 0 5 0 4 2 1 1 4 1 5 0 0 0 1 0 0 14 1 10 5 14 15 1 0 0 5 3 0 1 9 4 0 8 0 0 8 14 8 0 0 # 8.98 49.18 25.65 Env_3biz_5 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 37 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 0.0938 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 225 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 4 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.7742 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 130 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 3 8 3 3 0 0 0 2 0 0 0 0 0 -0.9745 19 14 3 2 0 0 0 3 0 2 3 12 507.63 0 0 0 0 1 14 680 0 0 0 0 0 0 0 4 0 2 0 3 0 7 0 3 0 0 0 0 0 0 9 3 3 4 9 7 3 0 0 0 0 0 0 16 0 0 3 0 0 0 16 3 0 0 4 8 3 5 0 0 0 2 0 1 0 0 0 -1.8004 23 15 5 3 0 0 1 5 0 2 3 14 592.513 0 0 0 0 0 25 1354 1 2 0 0 0 0 0 0 0 8 0 7 0 3 0 2 0 0 0 0 0 0 12 9 2 0 12 2 9 0 0 0 0 0 0 21 0 0 2 0 0 0 21 2 0 0 3 12 0 1 0 1 0 5 0 2 0 0 0 -4.2338 24 15 2 7 0 0 2 1 1 5 0 13 642.081 1 0 1 1 -1 28 1611 3 3 0 0 0 0 2 0 0 4 0 8 0 0 0 3 0 0 1 0 0 0 7 13 4 0 7 4 11 2 0 0 1 0 0 20 0 0 3 0 0 1 20 3 0 0 # -1.27 58.12 24.94 Env_3biz_6 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 18 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 87 4 0 0 0 0 0 0 0 0 1 0 0 0 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 36 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 10 1 3 0 0 0 2 0 0 0 0 0 -1.4259 19 14 3 2 0 0 0 3 0 2 1 12 527.55 0 0 0 0 2 13 533 0 0 3 0 0 0 1 0 0 5 0 1 0 1 0 0 0 0 7 1 0 0 7 2 10 0 7 10 1 1 0 0 0 0 0 15 0 0 4 0 0 0 15 4 0 0 5 11 4 5 0 0 0 4 0 0 0 0 0 -1.9563 29 20 5 4 0 0 0 5 0 4 4 18 747.021 0 0 0 0 2 23 872 0 0 2 0 2 2 3 0 0 7 0 5 0 2 0 0 0 0 5 1 0 0 10 8 11 0 10 11 5 3 0 0 0 0 0 26 0 0 3 0 0 0 26 3 0 0 5 16 3 3 0 0 0 5 0 0 0 1 0 -4.0272 33 24 3 5 1 0 0.5 3 0 5 4 13 894.105 0 0 0 0 5 43 1095 0 0 3 0 5 4 1 0 0 6 0 4 0 1 0 0 0 0 5 4 0 0 11 5 17 0 11 17 4 1 0 0 0 0 0 28 0 0 5 0 0 0 28 5 0 0 # 4.43 59.34 27.89