# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3kl6 # POINT_FILE ./pocket_res_ptf/3kl6_443_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_3kl6_0 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 33 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 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 188 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 1 3 0 1 0 0 0 0 0 1 0 1 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 41 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 1 0 0 0 0 0 0 1 0 0 0 1 5 4 3 0 0 0 3 0 0 0 0 0 -2.8606 16 10 3 3 0 0 0 3 0 3 4 9 372.153 0 0 0 0 1 18 569 0 0 0 0 0 0 4 2 0 2 0 0 0 0 0 0 0 7 1 0 0 0 2 4 8 2 9 3 0 4 0 0 0 0 0 9 0 6 1 0 0 0 15 1 0 0 4 6 3 2 0 0 0 1 1 0 0 0 0 0.017 17 13 2 2 0 0 0 2 0 1.5 3 10 462.626 0.333 0.333 0 0.333 0 22 313 0 0 0 1 1 0 1 5 0 4 0 0 0 0 0 1 0 3 1 0 0 0 4 2 6 5 7 8 0 2 0 0 0 0 1 11 0 4 1 0 0 0 16 1 0 0 5 9 1 2 0 0 1 3 2 0 1 0 0 -1.9929 24 15 3 5 1 0 0.5 2 1 4 2 12 607.929 1.332 1.332 0 1.332 -4 32 606 2 0 0 2 4 0 2 1 0 2 0 5 0 0 0 2 0 2 2 0 0 0 4 9 10 1 6 9 5 4 0 0 0 0 2 7 0 7 8 0 0 0 16 8 0 0 # 1.76 -5.01 -13.67 Env_3kl6_1 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 2 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 0 0 0 1 0 0 0 0 0 0 1 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 59 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 1 0 1 0 0 1 0 6 0 2 5 0 0 0 0 0 0 0 7 0 0 0 0 0 0 7 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 12 0 0 0 0 0 0 0 0 0 1 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 4 6 3 1 0 0 1 2 1 0 0 0 0 -0.5886 18 13 2 3 0 0 0 1.5 0.5 2.5 4 9 461.189 0.666 0.666 0 1.166 -1 21 312 0 0 0 2 0 0 0 0 2 3 0 0 0 0 0 0 0 6 1 4 0 0 7 2 9 0 13 1 2 2 0 2 0 0 0 14 0 0 2 0 0 2 14 2 0 0 2 14 5 5 0 0 2 1 1 2 0 0 0 -5.0862 32 21 7 4 0 0 2 5.5 1.5 1.5 7 12 828.669 0.333 0.333 0 0.833 0 43 407 1 0 0 3 0 0 0 2 3 7 0 0 0 0 0 4 4 2 5 1 0 0 9 3 18 2 11 15 3 3 0 3 0 0 0 17 5 0 7 0 0 3 22 7 0 0 7 9 8 4 0 0 0 5 0 0 0 0 0 -2.2888 33 24 4 5 0 0 0 4 0 5 10 18 818.658 0 0 0 0 3 44 474 2 0 0 4 0 0 0 6 1 3 0 0 0 0 0 2 2 2 11 0 0 0 5 4 18 6 7 21 1 4 0 1 0 0 0 15 4 0 13 0 0 1 19 13 0 0 # 7.84 -6.96 -10.14 Env_3kl6_2 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 70 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 -0.3206 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 375 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 1 5 0 0 5 0 1 0 0 0 0 0 0 2 0 4 0 0 0 2 4 0 0 0 0 4 0 0 0 0 2 0 0 0 0 0 -1.6881 6 4 0 2 0 0 0 0 0 2 4 2 123.13 0 0 0 0 2 12 352 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 3 0 0 0 1 0 5 0 1 5 0 0 0 0 0 0 0 0 1 0 5 0 0 0 1 5 0 0 2 6 4 1 0 0 0 1 0 1 0 0 0 -0.99 15 12 1 2 0 0 1 1 0 1 4 6 416.952 0 0 0 0 4 25 623 0 0 0 5 0 0 0 0 0 0 0 0 1 2 0 0 5 0 2 0 0 0 3 5 7 0 3 7 0 5 0 0 0 0 0 1 8 0 6 0 0 0 9 6 0 0 7 6 6 5 0 0 1 2 2 2 1 0 0 -3.444 32 19 6 6 1 0 2 5 1 3 8 16 741.498 1.332 1.332 0 1.332 -6 46 1747 0 0 0 6 0 0 4 0 0 0 0 4 1 7 0 1 4 4 1 0 0 0 8 14 10 0 12 6 4 10 0 0 0 0 0 6 12 0 14 0 0 0 18 14 0 0 1 11 3 0 0 0 1 5 2 1 0 0 0 -4.6787 24 15 1 8 0 0 1 0.5 0.5 6 4 7 586.837 0.666 0.666 0 1.166 1 37 1070 0 1 0 3 0 0 1 0 3 1 0 1 1 5 0 2 2 3 1 0 0 0 7 6 11 0 10 5 5 4 0 3 0 0 0 6 8 0 7 0 0 3 14 7 0 0 # 3.52 -10.63 -4.75 Env_3kl6_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 48 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 0 1 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 1 250 0 0 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 2 0 2 0 4 0 0 0 0 0 0 0 5 1 0 0 0 5 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5543 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 81 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 2 2 1 1 1 0 0 1 2 0 0 0 0 -1.3237 10 5 2 3 0 0 0 1.5 0.5 2 0 5 220.022 1.665 0.999 0.666 1.665 -5 22 499 0 2 0 0 0 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 5 0 5 2 3 0 0 0 0 0 0 0 6 4 0 0 0 6 4 0 0 1 6 3 1 2 1 0 1 0 0 0 0 0 -2.7351 15 10 4 1 0 0 0 1.5 2.5 1 3 3 418.282 1.333 0 1.333 1.333 3 43 966 0 4 0 0 1 0 0 0 0 0 0 5 0 1 0 0 0 3 1 0 0 0 1 9 5 0 4 2 9 0 0 0 0 0 0 3 0 2 10 0 0 0 5 10 0 0 4 7 5 2 0 0 0 1 3 1 1 0 0 -2.2233 24 16 2 5 1 0 1.5 2 0 2.5 5 9 602.257 1.332 1.332 0 1.332 0 42 1146 0 2 0 1 3 0 3 0 0 1 0 2 0 2 0 2 0 6 2 0 0 0 3 8 13 0 9 7 4 4 0 0 0 0 1 7 3 5 8 0 0 0 16 8 0 0 # -1.73 -5.64 -14.91 Env_3kl6_4 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 41 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2096 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 199 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 0 5 1 4 2 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 -0.7488 4 3 0 1 0 0 0 0 0 1 3 1 79.173 0 0 0 0 1 8 125 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 4 0 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 4 2 2 0 0 1 2 0 1 0 0 0 -2.1751 13 7 3 3 0 0 1 2 1 2 3 7 303.648 0 0 0 0 -4 16 242 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 4 0 3 0 0 0 0 3 0 7 3 6 7 0 0 0 0 0 0 0 10 0 0 3 0 0 0 10 3 0 0 3 3 7 1 0 0 2 1 1 1 0 0 0 -2.827 19 13 3 3 0 0 1 2 1 1.5 9 6 472.406 0.333 0.333 0 1.333 2 45 477 0 0 0 1 0 0 1 1 3 4 0 0 0 0 0 1 0 3 3 2 0 0 6 2 10 1 9 5 3 2 0 3 0 0 0 10 1 1 4 0 0 3 12 4 0 0 2 10 4 1 0 0 0 4 0 1 0 0 0 -2.5707 22 16 1 5 0 0 1 1 0 4 5 10 553.67 0.333 0.333 0 0.333 0 33 562 0 0 0 1 0 0 1 3 2 2 0 0 0 0 0 2 0 0 8 3 0 0 5 2 12 3 5 13 2 2 0 2 0 0 0 9 2 2 7 0 0 2 13 7 0 0 # 4.36 -6.9 -11.71 Env_3kl6_5 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 25 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 1 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2654 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 139 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 0 1 0 1 0 2 0 0 1 1 0 0 0 0 -1.1797 6 2 2 2 0 0 0 0.5 1.5 1.5 0 1 111.797 1.332 0.666 0.666 1.332 -4 22 493 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 3 3 0 0 0 0 0 0 2 1 3 0 0 0 3 3 0 0 2 7 0 1 1 0 0 1 1 0 1 0 0 -1.5185 14 9 2 2 1 0 0.5 1.5 0.5 1.5 0 6 392.308 0.666 0.333 0.333 0.666 -2 21 719 0 3 0 0 4 0 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 4 2 0 6 3 5 0 0 0 0 0 0 2 7 5 0 0 0 9 5 0 0 0 5 0 2 0 0 0 1 0 0 0 0 0 -1.2479 8 5 2 1 0 0 0 2 0 1 0 5 207.318 0 0 0 0 0 4 446 1 2 0 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 1 1 2 2 3 0 0 0 0 0 0 2 3 3 0 0 0 5 3 0 0 3 5 0 2 0 0 0 1 1 0 1 0 0 -0.648 13 8 2 2 1 0 0.5 2 0 1.5 0 8 335.575 0.666 0.666 0 0.666 -3 11 470 3 1 0 1 2 0 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 3 7 2 1 3 3 3 4 0 0 0 0 1 0 2 3 7 0 0 0 6 7 0 0 # -0.67 -6.31 -18.49