# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1sqt # POINT_FILE ./pocket_res_ptf/1sqt_UI3_A_1001.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_1sqt_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0031 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 117 0 0 0 0 0 1 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 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2082 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 485 0 0 0 0 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 6 0 0 0 0 0 0 0 0 5 0 1 0 0 0 5 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6323 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 129 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 2 4 0 3 0 0 0 1 0 1 1 0 0 -1.9639 12 6 3 2 1 0 1.5 3 0 1 0 5 296.004 0 0 0 0 -5 23 501 0 0 0 1 4 3 0 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 8 2 0 10 1 1 0 0 0 0 0 0 5 0 7 0 0 0 5 7 0 0 5 7 1 2 0 1 0 1 1 1 1 0 0 -0.9241 20 13 3 3 1 0 1.5 2 1 1.5 2 9 533.872 1.666 0.666 1 1.666 -2 31 373 0 0 0 5 1 0 0 3 0 0 0 6 0 0 0 3 0 0 2 0 0 0 0 11 6 3 0 9 6 5 0 0 0 0 0 1 3 0 16 0 0 0 4 16 0 0 1 6 4 2 0 0 0 4 1 0 0 0 0 -3.8462 18 11 2 5 0 0 0 2 0 4.5 4 9 423.099 0.333 0.333 0 0.333 -2 20 409 0 0 0 2 1 0 0 2 0 1 0 2 0 0 0 5 0 0 4 1 0 0 2 4 10 2 2 12 2 2 0 0 0 0 0 2 2 0 14 0 0 0 4 14 0 0 # 21.75 14.14 36.84 Env_1sqt_1 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 19 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 1 117 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 6 0 0 0 0 0 0 6 0 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 64 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 3 2 0 0 1 2 0 1 0 0 0 -2.2275 14 8 3 3 0 0 1 2 1 2 4 7 330.169 0 0 0 0 -4 19 234 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 4 0 3 0 3 0 0 3 0 8 3 6 7 1 0 0 0 0 0 0 14 0 0 0 0 0 0 14 0 0 0 4 5 5 3 0 0 2 2 1 0 0 0 0 -2.5463 22 14 5 3 0 0 0 4 1 2.5 7 10 542.505 0.333 0.333 0 1.333 -2 37 571 0 1 0 1 0 0 0 1 7 0 2 0 0 0 0 0 0 2 1 7 0 0 9 2 10 1 11 2 8 1 0 1 0 0 0 18 0 2 1 0 0 1 20 1 0 0 3 10 3 2 0 0 2 4 0 3 0 0 0 -4.2813 27 16 4 7 0 0 3 3 1 4 6 14 643.826 0.333 0.333 0 1.333 -8 38 591 3 1 0 1 0 0 0 3 6 1 2 0 0 0 1 3 0 1 3 2 0 0 9 2 13 3 10 9 7 1 0 4 0 0 0 12 4 2 5 0 0 4 18 5 0 0 # 20.55 18.21 28.99 Env_1sqt_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0428 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 12 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 -0.2837 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 175 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 1 0 0 0 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 0 0 0 0 0 0 1 0 0 2 0 0 -0.7839 3 0 0 1 2 0 1 0 0 1 0 1 64.536 0 0 0 0 -3 4 42 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 1 0 0 2 0 0 0 1 2 0 0 2 6 0 1 0 0 0 2 1 0 0 0 0 -0.9068 12 8 1 3 0 0 0 1 0 2.5 0 6 306.411 0.666 0.666 0 0.666 -2 9 551 0 0 0 3 1 4 0 0 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 4 8 0 0 8 1 3 0 0 0 0 0 1 4 0 7 0 0 0 5 7 0 0 5 11 0 6 0 0 0 2 2 1 0 0 0 -3.0912 27 16 6 5 0 0 1 6 0 3 0 17 676.47 0.999 0.999 0 0.999 -5 22 337 0 0 0 8 2 0 0 4 0 6 0 6 0 0 0 1 0 0 0 0 0 0 6 14 3 4 6 7 6 8 0 0 0 0 8 3 1 0 15 0 0 0 12 15 0 0 6 11 0 6 0 0 0 5 1 2 0 0 0 -4.3972 31 17 6 8 0 0 2 6 0 5.5 0 19 747.482 0.333 0.333 0 0.333 -9 29 906 1 0 1 5 2 3 1 5 0 6 0 1 0 0 0 5 0 0 0 1 0 0 8 7 11 5 8 16 1 6 0 0 0 0 5 5 10 2 9 0 0 0 22 9 0 0 # 18.9 16.65 37.39 Env_1sqt_3 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 34 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 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.137 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 249 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 1 3 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 -1.1258 2 0 0 2 0 0 1 0 0 1 0 1 28.651 0 0 0 0 -2 6 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 6 4 2 0 0 0 3 0 0 0 0 0 -2.6006 17 12 2 3 0 0 0 2 0 3 5 9 412.105 0 0 0 0 2 23 681 0 4 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 7 1 2 0 0 3 4 8 2 10 3 4 0 0 0 0 0 0 16 1 0 0 0 0 0 17 0 0 0 5 5 5 2 0 0 0 2 0 0 0 0 0 0.3325 19 15 2 2 0 0 0 2 0 2 5 11 513.025 0 0 0 0 2 27 427 0 1 0 0 0 0 0 5 0 0 1 2 0 0 1 1 0 3 2 3 0 0 5 3 6 5 8 8 3 0 0 0 0 0 0 16 2 1 0 0 0 0 19 0 0 0 3 12 5 2 2 0 1 4 2 1 1 0 0 -5.6384 33 20 5 7 1 0 1.5 2.5 2.5 5 5 13 822.229 1.665 0.999 0.666 1.665 -3 57 1017 0 4 0 3 3 0 0 1 0 0 6 2 0 0 3 4 0 2 3 2 0 0 11 9 12 1 13 11 6 3 0 0 0 0 3 19 3 6 2 0 0 0 31 2 0 0 # 20.7 21.33 31.15 Env_1sqt_4 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 22 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 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.0679 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 214 0 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 -1.4519 2 0 1 1 0 0 0 0.5 0.5 1 0 1 35.923 0.333 0 0.333 0.333 -2 6 256 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 8 1 1 2 0 0 1 0 0 1 0 0 -1.1463 16 11 3 1 1 0 0.5 1.5 1.5 1 0 6 452.839 0.666 0 0.666 0.666 0 29 1245 0 7 0 0 4 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 7 4 2 3 6 7 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 0 5 0 2 0 0 0 1 0 1 0 0 0 -2.2017 9 5 2 2 0 0 1 2 0 1 0 5 224.475 0 0 0 0 -2 7 518 1 1 0 0 1 0 0 1 0 0 3 1 0 0 0 1 0 0 0 0 0 0 4 2 2 1 4 3 2 0 0 0 0 0 0 8 1 0 0 0 0 0 9 0 0 0 3 5 0 1 0 0 0 4 1 1 1 0 0 -2.2483 16 8 1 6 1 0 1.5 1 0 4.5 0 11 386.008 0.333 0.333 0 0.333 -7 14 602 3 0 0 1 1 0 0 1 0 0 2 4 0 0 0 3 0 0 1 0 0 0 5 5 5 1 5 6 4 1 0 0 0 0 1 10 3 0 2 0 0 0 14 2 0 0 # 22.95 23.08 36.5 Env_1sqt_5 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 0 128 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 -0.0222 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 568 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 2 0 2 4 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 -1.0099 4 2 1 1 0 0 0 0 1 1 0 1 99.093 0 0 0 0 -1 9 418 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 1 3 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 4 2 1 2 0 0 1 0 1 0 0 0 -2.2449 13 8 3 2 0 0 1 2 1 1 2 5 326.875 0.999 0 0.999 0.999 -2 36 626 0 3 0 0 0 0 0 5 0 0 1 1 0 0 0 0 0 0 3 0 0 0 1 4 3 5 1 8 4 0 0 0 0 0 0 9 3 1 0 0 0 0 13 0 0 0 2 8 3 1 0 0 0 2 0 0 0 0 0 -1.372 16 13 1 2 0 0 0 1 0 2 3 6 451.788 0 0 0 0 7 28 596 0 0 0 0 1 0 0 0 0 0 5 5 0 0 1 0 0 3 1 0 0 0 6 5 5 0 9 2 5 0 0 0 0 0 0 12 1 3 0 0 0 0 16 0 0 0 2 7 5 3 0 1 0 1 0 0 1 0 0 -1.8848 20 14 4 1 1 0 0.5 3 1 1 5 9 536.247 1 0 1 1 3 34 574 0 0 0 0 3 0 0 0 0 0 4 3 0 0 2 0 0 5 3 0 0 0 6 3 11 0 11 6 3 0 0 0 0 0 0 16 3 1 0 0 0 0 20 0 0 0 # 22.99 23.87 32.8 Env_1sqt_6 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0428 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 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 1 0 0 0 0 0 0 1 0 0 0 1 1 0 2 0 0 0 1 0 0 0 0 0 -0.8809 5 2 2 1 0 0 0 2 0 1 0 4 106.788 0 0 0 0 -3 1 101 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 1 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 -0.0787 3 1 0 1 1 0 0.5 0 0 1 0 2 71.525 0 0 0 0 -2 2 64 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 7 0 2 0 0 0 2 1 1 1 0 0 -2.4621 16 9 2 4 1 0 1.5 2 0 2.5 0 7 397.736 0.666 0.666 0 0.666 -2 18 558 3 1 0 3 1 0 0 2 0 1 3 0 0 0 0 2 0 0 0 0 0 0 7 4 3 2 7 5 1 3 0 0 0 0 4 9 1 0 2 0 0 0 14 2 0 0 2 9 0 1 0 0 0 1 1 0 0 0 0 -0.8127 14 11 1 2 0 0 0 1 0 1.5 0 7 408.378 0.333 0.333 0 0.333 1 13 561 1 1 0 1 3 0 0 0 0 2 3 0 0 0 0 3 0 0 0 0 0 0 6 2 6 0 6 6 1 1 0 0 0 0 3 5 2 0 4 0 0 0 10 4 0 0 6 7 0 6 1 0 0 4 0 0 0 0 0 -2.8387 24 13 7 4 0 0 0 6.5 0.5 4 0 21 590.857 0.333 0 0.333 0.333 -9 9 1121 0 3 1 4 1 1 0 3 0 3 2 2 0 0 0 3 1 0 0 0 0 0 5 9 7 3 5 10 5 4 0 0 0 0 7 10 2 1 4 0 0 0 20 4 0 0 # 19.76 21.82 38.21 Env_1sqt_7 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 10 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0537 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 59 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 1 5 0 0 5 0 1 0 0 0 0 1 0 0 0 5 0 0 0 1 5 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 -2.0379 3 0 0 3 0 0 1 0 0 1.5 0 1 42.788 0.333 0.333 0 0.333 -3 5 19 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 0 0 1 0 2 0 0 0 0 1 0 0 0 2 0 0 0 1 2 0 0 3 8 0 1 0 0 0 1 1 1 0 0 0 -0.4979 15 11 1 3 0 0 1 1 0 1.5 0 6 399.673 0.999 0.999 0 0.999 0 22 88 0 0 0 7 4 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 0 3 7 5 0 3 5 0 7 0 0 0 0 5 2 0 0 8 0 0 0 7 8 0 0 3 10 0 3 0 0 0 0 2 0 2 0 0 -2.5813 20 13 3 2 2 0 1 3 0 1 1 6 546.426 0.666 0.666 0 0.666 2 31 243 0 0 0 3 2 1 0 0 0 9 0 0 0 0 0 0 2 0 1 2 0 0 11 3 6 0 11 6 0 3 0 0 0 0 3 7 1 0 9 0 0 0 11 9 0 0 6 14 2 4 0 0 0 6 0 1 0 0 0 -2.9867 33 22 4 7 0 0 1 4 0 6 2 23 865.911 0 0 0 0 -4 21 655 1 0 0 3 3 3 0 4 0 9 0 1 0 0 0 1 4 0 2 2 0 0 12 4 13 4 12 17 1 3 0 0 0 0 5 14 4 0 10 0 0 0 23 10 0 0 # 15.24 17.08 36.48