# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3cjo # POINT_FILE ./pocket_res_ptf/3cjo_K30_A_1.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_3cjo_0 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 45 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 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 -0.4156 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 293 0 0 0 0 0 0 1 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 5 0 0 1 0 0 6 0 0 0 0 0 0 0 0 6 0 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 5 178 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 3 0 1 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 7 0 4 0 0 0 2 0 0 0 0 0 -1.5908 16 10 4 2 0 0 0 4 0 2 0 12 414.636 0 0 0 0 -2 7 826 1 0 0 0 0 2 3 2 0 4 1 1 0 0 0 0 0 0 1 1 0 0 7 4 3 2 7 5 1 3 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 9 1 2 0 0 0 1 0 0 0 0 0 -0.4988 16 13 2 1 0 0 0 2 0 1 1 10 468.409 0 0 0 0 3 13 937 2 0 0 0 0 2 2 1 0 1 1 3 0 1 0 0 0 0 2 1 0 0 6 5 4 1 6 5 3 2 0 0 14 0 0 1 0 1 0 0 0 14 2 0 0 0 2 12 6 2 0 0 0 3 1 0 0 0 0 -4.2123 26 20 2 4 0 0 0 2 0 3.5 6 7 686.286 0.666 0.666 0 0.666 11 50 1056 2 0 0 0 0 1 3 1 0 2 4 2 0 2 0 0 0 0 5 4 0 0 14 5 6 1 14 7 2 3 0 1 20 0 0 3 0 2 0 0 0 21 5 0 0 0 # 22.28 18.92 109.05 Env_3cjo_1 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 78 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 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 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 421 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 1 0 5 0 1 5 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 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 8 235 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 1 0 3 0 1 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 10 5 3 0 0 1 1 0 0 0 0 0 -1.741 22 17 4 1 0 0 0 3 1 1 6 8 597.325 0 0 0 0 6 36 1091 0 0 0 0 0 4 3 0 0 1 4 0 0 0 0 0 0 4 2 4 0 0 9 3 10 0 13 6 0 3 0 2 16 0 0 0 4 0 0 0 0 18 4 0 0 0 5 9 5 2 0 0 0 2 1 0 0 0 0 -1.6822 24 19 2 3 0 0 0 2 0 2.5 6 11 635.34 0.666 0.666 0 0.666 5 42 1290 0 0 0 1 0 1 7 0 0 3 3 1 0 0 0 0 0 6 1 1 0 0 7 9 8 0 13 2 1 8 0 4 14 0 0 0 6 0 0 0 0 18 6 0 0 0 3 6 0 3 0 0 0 4 1 1 0 0 0 -3.9046 18 9 3 6 0 0 1 3 0 4.5 0 9 418.632 0.333 0.333 0 0.333 -5 29 1195 0 0 0 3 0 3 3 0 0 4 1 2 0 0 0 0 0 1 1 0 0 0 5 8 5 0 6 4 2 6 0 5 12 0 0 0 1 0 0 0 0 17 1 0 0 0 # 22.04 19.11 114.29 Env_3cjo_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 103 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 0 1 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 -0.0829 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 542 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 1 0 0 1 4 1 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 2 0 0 1 0 0 1 1 0 0 0 0 -1.8253 5 2 1 2 0 0 0 0 1 1.5 0 1 113.23 0.333 0.333 0 0.333 -2 12 423 0 3 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 3 2 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 2 6 1 1 0 0 0 1 1 0 0 0 0 0.0788 12 9 1 2 0 0 0 1 0 1.5 0 5 315.496 0.999 0.666 0.333 0.999 0 16 607 0 1 0 2 0 0 3 0 0 0 2 0 0 0 0 4 0 0 0 0 0 0 2 6 4 0 2 4 1 5 0 0 0 0 0 0 2 0 10 0 0 0 2 10 0 0 2 5 0 3 2 0 0 1 0 1 0 0 0 -2.5354 14 7 5 2 0 0 1 4 1 1 0 7 354.49 0.666 0 0.666 0.666 -4 20 779 1 2 0 1 0 0 1 1 0 0 5 0 0 0 2 1 0 0 0 0 0 0 8 4 1 1 8 2 2 2 0 0 0 0 2 0 5 2 5 0 0 0 9 5 0 0 4 9 1 1 0 0 0 4 1 1 0 0 0 -2.171 21 14 1 6 0 0 1 1 0 4.5 1 12 540.627 0.666 0.666 0 0.666 -1 24 1252 2 0 0 3 0 0 2 2 0 0 1 0 0 0 7 0 0 0 4 0 0 0 10 5 4 2 10 6 0 5 0 0 1 0 4 0 3 8 5 0 0 1 15 5 0 0 # 12.11 12.31 112.77 Env_3cjo_3 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 0 103 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 -0.2564 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 536 0 0 0 0 0 0 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 5 0 0 1 0 1 4 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -1.6901 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 334 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 0 1 2 0 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 5 6 0 3 0 0 0 1 2 0 0 0 0 -0.7179 17 11 3 3 0 0 0 3 0 2 0 11 437.858 0.999 0.999 0 0.999 -3 14 1102 2 0 0 0 0 2 3 1 0 2 3 3 0 0 0 0 0 0 1 0 0 0 7 6 3 1 7 4 3 3 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 3 9 4 3 0 0 0 1 0 0 0 0 0 -0.7682 20 16 3 1 0 0 0 3 0 1 5 11 543.236 0 0 0 0 4 23 1194 5 0 0 0 0 2 0 2 0 2 1 2 0 0 0 0 0 0 6 0 0 0 8 2 8 2 8 10 2 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 2 8 1 2 0 0 0 3 0 1 0 0 0 -3.2203 17 11 2 4 0 0 1 2 0 3 1 7 441.534 0 0 0 0 1 29 827 2 0 0 0 0 1 0 1 0 2 2 3 0 0 0 0 0 0 4 2 0 0 8 3 5 1 8 6 3 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 # 19.53 21.57 109.39 Env_3cjo_4 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 52 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 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 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 270 5 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 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 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 48 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 7 0 3 0 0 0 2 0 0 0 0 0 -0.1685 16 11 3 2 0 0 0 3 0 2 0 12 434.009 0 0 0 0 -2 7 880 3 5 0 0 0 0 2 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 4 10 0 2 4 2 8 2 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 2 5 1 3 2 0 0 1 0 1 0 0 0 -2.1415 15 8 5 2 0 0 1 3.5 1.5 1 0 10 371.219 0.666 0 0.666 0.666 -6 18 929 1 4 0 0 0 0 2 0 0 0 1 5 0 0 0 0 2 0 0 0 0 0 2 11 2 0 2 2 9 2 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 1 13 0 1 1 0 0 4 1 0 0 0 0 -4.8943 21 14 2 5 0 0 0 1.5 0.5 4.5 0 7 567.819 0.666 0.333 0.333 0.666 4 33 889 0 2 0 0 0 0 3 0 0 2 7 5 0 0 0 0 2 0 0 0 0 0 9 10 2 0 9 2 7 3 0 0 15 0 0 1 1 4 0 0 0 15 6 0 0 0 # 18.53 19.99 104.58 Env_3cjo_5 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 54 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 0 0 0 0 1 0 0 0 0 0 1 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 1 228 0 0 0 0 0 0 4 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 4 0 1 1 1 0 4 0 0 1 0 1 0 4 0 0 0 0 1 5 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 2 121 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 0 1 0 0 0 0 2 1 0 0 0 5 7 0 4 0 0 0 3 2 0 0 0 0 -1.6809 21 12 4 5 0 0 0 4 0 4 0 14 508.493 0.999 0.999 0 0.999 -6 16 378 0 0 0 0 0 0 3 6 0 3 0 0 3 1 2 0 3 0 0 0 0 0 9 3 3 6 9 9 0 3 0 0 12 0 3 0 3 0 3 0 0 12 6 3 0 0 4 13 0 4 0 0 0 1 0 0 0 0 0 -0.1633 22 17 4 1 0 0 0 4 0 1 0 14 637.712 0 0 0 0 2 14 581 1 0 0 0 0 0 1 1 0 8 0 0 1 3 2 0 5 0 0 0 0 0 15 1 5 1 15 6 0 1 0 0 19 0 1 0 0 0 2 0 0 19 1 2 0 0 4 10 1 4 1 0 0 7 1 1 1 0 0 -6.7764 30 15 5 9 1 0 1 4.5 0.5 7.5 1 15 706.33 0.666 0.333 0.333 0.666 -6 39 1069 4 2 0 1 0 3 4 0 0 4 3 2 1 2 1 0 3 0 0 0 0 0 15 9 6 0 15 6 4 5 0 0 19 0 4 1 2 0 4 0 0 19 7 4 0 0 # 19.9 9.92 107.39