# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2ica # POINT_FILE ./pocket_res_ptf/2ica_2IC_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_2ica_0 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 20 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 -0.0744 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 80 0 0 0 0 0 0 0 0 0 5 1 0 0 0 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 3 0 0 0 0 0 2 0 0 0 0 0 -1.565 5 3 0 2 0 0 0 0 0 2 0 2 123.518 0 0 0 0 1 7 116 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 1 0 0 0 4 0 1 0 4 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 10 0 3 0 0 0 2 0 0 0 0 0 -0.8032 18 13 3 2 0 0 0 3 0 2 0 12 501.029 0 0 0 0 1 10 226 0 0 0 0 0 0 0 0 0 5 6 0 0 1 0 0 0 0 4 2 0 0 14 0 4 0 14 4 0 0 0 0 0 0 0 18 0 0 0 0 0 0 18 0 0 0 3 15 5 4 0 0 0 3 0 0 0 0 0 -3.8713 30 23 4 3 0 0 0 4 0 3 5 14 814.931 0 0 0 0 9 39 293 0 2 0 0 0 0 0 0 0 9 6 0 0 6 0 0 0 0 2 5 0 0 26 2 2 0 26 2 2 0 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 4 17 5 3 0 0 0 2 0 0 0 0 0 -0.9338 31 26 3 2 0 0 0 3 0 2 5 12 901.714 0 0 0 0 14 42 330 0 4 0 0 0 0 0 0 0 9 7 0 0 5 0 0 0 0 2 4 0 0 25 4 2 0 25 2 4 0 0 0 1 0 0 30 0 0 0 0 0 1 30 0 0 0 # -1.59 3.59 27.9 Env_2ica_1 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 14 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 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 -0.3756 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 57 0 0 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 5 1 0 0 5 0 0 1 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.2087 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 47 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 3 1 0 0 3 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 10 2 2 0 0 0 3 0 0 0 0 0 -2.0794 20 15 2 3 0 0 0 2 0 3 2 11 551.428 0 0 0 0 4 19 175 0 0 0 3 0 1 0 0 0 0 1 0 0 2 0 0 0 0 0 13 0 0 16 3 1 0 16 1 0 3 0 0 1 0 0 19 0 0 0 0 0 1 19 0 0 0 4 10 8 5 0 0 0 2 0 0 0 0 0 -2.3808 29 22 5 2 0 0 0 5 0 2 8 15 756.108 0.333 0.333 0 0.333 6 40 538 2 0 0 1 0 3 0 0 0 1 2 2 0 11 0 0 1 0 2 4 0 0 20 3 6 0 20 6 2 1 0 0 2 0 0 25 0 2 0 0 0 2 27 0 0 0 5 14 15 3 0 0 0 3 2 0 0 0 0 -4.5176 42 34 3 5 0 0 0 3 0 4 16 14 1108.91 0.666 0.666 0 0.666 17 77 793 3 0 0 2 0 1 0 0 0 4 4 3 0 17 0 0 1 0 5 2 0 0 30 5 7 0 30 7 3 2 0 0 3 0 0 37 0 2 0 0 0 3 39 0 0 0 # -3.84 3.43 20.84 Env_2ica_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 60 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 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 322 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 5 0 1 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.5178 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 1 0 0 1 0 4 0 1 4 0 0 0 0 0 0 0 4 0 1 0 0 0 0 5 0 0 0 3 7 3 2 1 0 0 2 0 1 0 0 0 -1.5958 19 13 3 3 0 0 1 2.5 0.5 2 3 10 507.511 0.333 0 0.333 0.333 -1 24 728 0 1 0 0 0 4 0 0 0 0 0 0 0 1 0 3 4 0 2 4 0 0 5 1 13 0 5 13 1 0 0 0 0 0 0 11 0 7 1 0 0 0 18 1 0 0 2 9 6 4 1 0 0 2 1 2 0 0 0 -6.1283 27 17 5 5 0 0 2 4.5 0.5 2.5 6 10 655.337 0.999 0.333 0.666 0.999 1 57 748 0 2 2 3 0 1 0 0 0 0 4 0 1 5 0 1 3 0 3 2 0 0 12 5 10 0 12 10 2 3 0 0 2 0 0 13 3 4 5 0 0 2 20 5 0 0 8 9 3 4 1 0 0 2 0 1 0 0 0 -1.1903 28 20 5 3 0 0 1 4 1 2 4 10 735.365 0.333 0.333 0 0.333 1 52 901 0 1 6 3 0 3 0 0 0 0 6 0 1 3 0 1 0 0 4 0 0 0 10 4 14 0 10 14 1 3 0 0 3 0 0 12 6 0 7 0 0 3 18 7 0 0 # -8.19 -0.16 16.52 Env_2ica_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 56 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 -0.0831 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 233 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 4 0 0 0 1 1 4 0 1 4 1 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 -1.5392 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 204 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 1 1 3 0 1 3 1 0 0 0 1 0 0 4 0 0 0 0 0 1 4 0 0 0 2 9 3 1 0 0 0 2 0 0 0 0 0 -1.4212 17 14 1 2 0 0 0 1 0 2 3 9 485.298 0 0 0 0 5 18 288 1 3 0 0 0 0 0 0 0 6 1 0 0 4 0 0 0 0 2 0 0 0 12 3 2 0 12 2 3 0 0 0 4 0 0 12 0 1 0 0 0 4 13 0 0 0 5 14 2 6 0 0 0 2 0 0 0 0 0 -2.0891 29 21 6 2 0 0 0 6 0 2 3 15 778.669 0 0 0 0 5 32 490 2 1 0 0 0 0 0 0 0 18 1 0 0 3 0 1 0 0 1 2 0 0 26 1 2 0 26 2 1 0 0 0 3 0 0 23 0 2 1 0 0 3 25 1 0 0 5 20 3 3 0 0 0 5 0 2 0 0 0 -2.9998 38 28 3 7 0 0 2 3 0 5 3 17 1051.51 0 0 0 0 5 52 760 2 1 0 0 0 0 2 0 0 9 4 5 0 5 0 5 0 0 1 4 0 0 24 8 6 0 24 6 6 2 0 2 5 0 0 24 0 2 5 0 0 7 26 5 0 0 # -4.35 5.9 31.3 Env_2ica_4 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 18 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 0.2306 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 148 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 4 0 0 5 1 0 0 5 0 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.7956 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 176 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 2 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 9 1 2 0 0 0 3 0 0 0 0 0 -1.217 18 13 2 3 0 0 0 2 0 3 1 12 491.397 0 0 0 0 1 12 612 0 0 0 2 0 0 0 0 0 5 6 3 0 1 0 0 1 0 0 0 0 0 12 5 1 0 12 1 3 2 0 0 0 0 0 16 0 2 0 0 0 0 18 0 0 0 3 16 2 5 0 0 0 1 0 0 0 0 0 -3.0679 27 21 5 1 0 0 0 5 0 1 2 13 771.911 0 0 0 0 8 33 565 0 2 0 2 0 0 0 0 0 8 6 1 0 2 0 0 2 0 0 4 0 0 20 5 2 0 20 2 3 2 0 0 0 0 0 22 0 5 0 0 0 0 27 0 0 0 3 18 4 2 0 0 0 2 0 0 0 0 0 -1.4843 29 25 2 2 0 0 0 2 0 2 4 10 861.056 0 0 0 0 14 42 642 0 3 0 1 0 0 0 0 0 7 3 1 0 2 0 0 2 0 3 7 0 0 19 5 5 0 19 5 4 1 0 0 0 0 0 23 0 6 0 0 0 0 29 0 0 0 # -5.34 6.81 23.48