# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2nnq # POINT_FILE ./pocket_res_ptf/2nnq_T4B_A_293.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_2nnq_0 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 40 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 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4879 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 205 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 1 1 0 4 1 0 1 0 0 0 0 0 0 5 0 1 0 0 0 5 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 -0.9532 2 0 1 1 0 0 0 0 1 1 0 1 45.004 1 0 1 1 0 5 72 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 7 1 2 0 0 0 1 1 2 0 0 0 -2.9963 15 9 2 4 0 0 2 2 0 1.5 1 6 382.82 0.333 0.333 0 0.333 -3 22 689 0 0 0 5 0 0 0 0 0 0 0 3 0 1 0 0 5 0 0 1 0 0 2 8 5 0 2 5 3 5 0 0 0 0 0 2 4 1 8 0 0 0 7 8 0 0 2 6 2 0 0 0 0 1 0 0 0 0 0 0.4584 11 10 0 1 0 0 0 0 0 1 2 3 319.685 0.333 0.333 0 0.333 5 17 691 0 0 0 4 0 0 0 0 0 0 0 1 0 2 0 0 3 0 0 1 0 0 3 5 3 0 3 3 1 4 0 0 0 0 0 3 2 2 4 0 0 0 7 4 0 0 4 6 3 4 1 0 0 3 2 0 0 0 0 -3.9864 23 13 5 5 0 0 0 4.5 0.5 4 3 13 539.523 1.332 0.999 0.333 1.332 -4 28 1705 0 3 3 4 0 0 0 0 0 0 0 4 0 3 0 0 3 0 0 3 0 0 6 11 6 0 6 6 7 4 0 0 1 0 0 5 1 3 13 0 0 1 9 13 0 0 # 0.91 10.52 21.78 Env_2nnq_1 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 32 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 0.1823 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 260 0 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1182 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 129 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 2 0 0 1 0 2 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 11 1 3 1 0 0 2 0 0 0 0 0 -3.3842 20 14 4 2 0 0 0 3 1 2 1 10 548.129 0 0 0 0 2 23 621 0 2 0 0 0 0 0 0 0 0 4 8 0 1 0 0 0 0 0 5 0 0 10 10 0 0 10 0 10 0 0 0 0 0 0 19 1 0 0 0 0 0 20 0 0 0 5 13 3 3 1 0 0 1 0 0 0 0 0 1.1451 26 21 4 1 0 0 0 3.5 0.5 1 2 12 755.135 0.666 0 0.666 0.666 7 38 528 0 3 0 0 0 0 1 0 0 3 6 2 0 2 0 0 0 0 0 9 0 0 20 6 0 0 20 0 5 1 0 0 0 0 0 24 2 0 0 0 0 0 26 0 0 0 2 17 3 3 1 1 0 5 1 0 0 0 0 -7.3393 33 22 5 6 0 0 0 3.5 1.5 5.5 3 14 869.337 1.999 0.666 1.333 1.999 4 55 1000 0 2 0 0 0 0 7 1 1 2 5 3 1 3 0 0 0 0 0 8 0 0 19 12 1 1 19 1 6 7 0 0 0 0 0 29 4 0 0 0 0 0 33 0 0 0 # 13.3 8.76 9.7 Env_2nnq_2 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 39 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 -0.3396 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 296 0 0 1 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 1 1 0 4 1 0 1 0 0 5 0 0 0 0 1 0 0 0 5 1 0 0 0 0 1 3 0 0 0 0 1 0 1 0 0 0 -1.25 6 4 0 2 0 0 1 0 0 1 3 1 135.782 0 0 0 0 1 11 206 0 0 1 0 0 0 0 0 0 0 0 0 0 3 0 2 0 0 0 0 0 0 3 0 3 0 3 3 0 0 0 0 3 0 0 2 0 1 0 0 0 3 3 0 0 0 2 6 2 3 0 0 0 1 0 1 0 0 0 -2.0737 15 10 3 2 0 0 1 3 0 1 2 9 392.184 0 0 0 0 0 13 884 0 0 3 4 0 0 2 0 0 0 0 0 0 2 0 2 0 0 2 0 0 0 2 6 7 0 2 7 0 6 0 0 8 0 0 4 0 3 0 0 0 8 7 0 0 0 5 11 4 4 2 0 0 1 0 0 1 0 0 -0.1566 28 20 6 1 1 0 0 4.5 1.5 1 3 13 757 0.666 0 0.666 0.666 2 44 969 0 5 1 4 0 0 2 0 0 0 0 0 6 1 0 4 1 0 4 0 0 0 7 11 10 0 7 10 5 6 0 0 15 0 0 12 0 1 0 0 0 15 13 0 0 0 5 7 2 3 1 0 0 7 3 0 0 1 0 -6.7179 29 14 4 10 1 0 0.5 3.5 0.5 8.5 2 14 655.822 1.998 1.665 0.333 1.998 -10 39 1329 0 3 2 6 2 0 1 1 0 0 0 1 1 0 0 3 5 0 3 1 0 0 2 11 15 1 2 16 4 7 0 0 12 0 0 15 0 2 0 0 0 12 17 0 0 0 # 9.83 0.02 21.39 Env_2nnq_3 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 16 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3206 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 165 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 1 1 4 0 1 4 0 1 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 -2.1071 6 3 0 3 0 0 0 0 0 3 3 3 108.103 0 0 0 0 0 8 167 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 3 1 0 0 2 1 3 0 2 3 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 4 11 3 5 0 0 0 1 0 0 0 0 0 -1.685 24 18 5 1 0 0 0 5 0 1 3 14 664.392 0 0 0 0 4 23 955 0 0 0 0 0 0 5 0 0 0 7 2 0 0 0 0 0 1 2 7 0 0 14 7 3 0 15 2 2 5 0 0 0 0 0 24 0 0 0 0 0 0 24 0 0 0 5 18 3 3 0 0 0 2 0 0 0 0 0 -0.3279 31 26 3 2 0 0 0 3 0 2 4 13 877.946 0.333 0.333 0 0.333 11 43 1032 0 3 0 0 0 0 1 0 0 0 6 7 1 0 0 1 0 6 1 5 0 0 12 11 8 0 18 2 10 1 0 0 0 0 0 31 0 0 0 0 0 0 31 0 0 0 4 12 4 3 0 0 0 6 2 2 0 0 0 -7.0638 33 20 3 10 0 0 2 3 0 7 4 16 810.265 0.666 0.666 0 0.666 -2 53 1229 0 3 0 2 0 0 2 0 0 0 2 4 0 0 1 4 0 6 1 8 0 0 11 11 11 0 17 5 7 4 0 0 0 0 0 30 2 0 1 0 0 0 32 1 0 0 # 6.97 1.15 7.8