# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2aa2 # POINT_FILE ./pocket_res_ptf/2aa2_AS4_A_201.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_2aa2_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0237 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 0 0 0 0 0 1 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 116 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 1 0 1 0 0 0 0 4 0 2 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 -0.8398 3 1 0 1 1 0 0 0 0 1 0 1 71.525 0 0 0 0 1 5 57 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 2 0 1 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 8 7 3 0 0 1 1 0 1 0 0 0 -2.3871 23 17 4 2 0 0 1 3 1 1 8 9 594.562 0 0 0 0 2 41 238 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 9 0 11 0 1 0 0 3 0 20 0 14 9 0 0 0 0 23 0 0 0 0 0 0 0 0 23 0 0 0 0 2 11 1 1 0 0 0 2 0 2 0 0 0 -2.6832 19 14 1 4 0 0 2 1 0 2 1 8 533.59 0 0 0 0 3 26 180 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 8 0 1 1 2 0 0 9 0 10 0 10 9 0 0 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 5 8 0 4 0 0 0 6 0 1 1 0 0 -3.3335 25 13 4 7 1 0 1 4 0 6 0 14 602.181 0 0 0 0 -5 26 225 0 0 0 0 0 4 0 0 0 1 9 0 1 1 0 5 0 0 1 3 0 0 15 0 10 0 15 10 0 0 0 0 25 0 0 0 0 0 0 0 0 25 0 0 0 0 # 24.33 67.82 22.16 Env_2aa2_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 20 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 114 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6268 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 49 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 8 0 3 0 0 0 3 0 0 0 0 0 -1.175 18 12 3 3 0 0 0 3 0 3 0 13 479.013 0 0 0 0 -2 8 262 0 1 3 0 0 0 0 0 0 0 8 0 0 0 0 2 4 0 0 0 0 0 8 1 9 0 8 9 1 0 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 3 10 1 4 0 0 0 2 0 1 0 0 0 -3.0968 21 14 4 3 0 0 1 4 0 2 1 11 556.205 0 0 0 0 -1 23 453 3 3 4 0 0 0 0 0 0 0 7 0 0 1 0 2 1 0 0 0 0 0 11 3 7 0 11 7 3 0 0 0 19 0 0 2 0 0 0 0 0 19 2 0 0 0 2 15 7 2 3 0 0 5 0 0 0 0 0 -5.7835 34 24 5 5 0 0 0 3 2 5 6 10 898.614 0.999 0 0.999 0.999 8 71 948 4 7 2 0 0 0 1 1 0 0 11 0 0 7 0 1 0 0 0 0 0 0 22 8 3 1 22 4 7 1 0 0 20 0 0 10 0 0 4 0 0 20 10 4 0 0 # 13.25 72.47 19.07 Env_2aa2_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0142 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 25 0 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 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 -0.341 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 197 0 1 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 0 1 4 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 -1.935 5 1 1 3 0 0 0 1 0 3 0 2 79.49 0 0 0 0 -4 8 103 0 0 3 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 4 0 1 4 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 9 0 3 0 0 0 3 0 0 0 0 0 -1.9852 18 12 3 3 0 0 0 3 0 3 0 12 479.013 0 0 0 0 -1 9 572 3 3 0 0 0 0 1 0 0 0 6 0 0 0 2 1 2 0 0 0 0 0 11 4 3 0 11 3 3 1 0 0 15 0 0 0 0 0 3 0 0 15 0 3 0 0 5 12 3 4 0 0 0 1 0 0 0 0 0 0.4866 25 20 4 1 0 0 0 4 0 1 3 15 711.333 0 0 0 0 5 21 617 1 2 0 0 0 0 1 1 0 0 9 0 0 5 2 2 2 0 0 0 0 0 17 3 4 1 17 5 2 1 0 0 17 0 0 0 0 0 8 0 0 17 0 8 0 0 1 15 5 3 1 0 0 4 0 1 0 0 0 -5.4799 30 21 4 5 0 0 1 3 1 4 5 12 794.888 0 0 0 0 4 49 916 1 2 0 0 0 0 3 1 0 0 9 0 0 6 1 2 2 2 0 1 0 0 18 5 6 1 20 5 2 3 0 0 19 0 0 0 0 0 11 0 0 19 0 11 0 0 # 13.61 71.43 22.71 Env_2aa2_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0237 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 28 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 247 1 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 1 0 0 0 1 0 4 0 0 1 1 4 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5662 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 88 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 2 8 2 3 0 0 0 2 0 1 1 0 0 -2.8824 19 12 3 3 1 0 1 3 0 2 2 9 497.219 0 0 0 0 3 26 757 3 0 0 0 0 0 1 0 0 0 4 0 3 2 0 3 0 0 3 0 0 0 12 1 6 0 12 6 0 1 0 0 11 0 0 0 6 0 2 0 0 11 6 2 0 0 3 7 5 2 0 0 0 2 0 0 0 1 0 -1.2627 20 15 2 2 1 0 0.5 2 0 2 5 10 533.604 0 0 0 0 2 22 792 0 0 0 0 3 0 3 0 1 0 3 0 1 4 0 3 0 0 2 0 0 0 8 3 9 0 8 8 1 3 0 0 17 0 0 0 3 0 0 0 0 17 3 0 0 0 2 8 2 1 0 0 0 4 0 0 0 0 0 -2.4407 17 12 1 4 0 0 0 1 0 4 2 10 448.255 0 0 0 0 2 16 858 0 0 0 0 1 2 1 0 3 0 4 1 2 1 0 0 0 0 2 0 0 0 7 2 8 0 7 5 4 1 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 # 20.53 81.53 17.8 Env_2aa2_4 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 21 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 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 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 120 1 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 3 0 0 0 0 2 0 0 0 0 0 -1.787 6 4 0 2 0 0 0 0 0 2 3 2 130.119 0 0 0 0 2 11 106 0 0 0 0 0 0 0 0 0 0 2 0 0 3 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 1 0 0 5 0 0 0 0 0 1 5 0 0 0 3 5 3 1 2 0 0 2 0 0 0 0 0 -1.2622 16 11 3 2 0 0 0 1.5 1.5 2 2 8 423.834 0.666 0 0.666 0.666 0 28 250 4 3 0 0 0 0 0 0 0 0 4 0 0 2 0 0 0 0 3 0 0 0 10 3 3 0 10 3 3 0 0 0 4 0 0 12 0 0 0 0 0 4 12 0 0 0 0 14 4 4 1 0 0 1 0 1 0 0 0 -5.3458 25 18 5 2 0 0 1 4.5 0.5 1 4 8 689.202 0.333 0 0.333 0.333 6 47 424 0 2 0 0 0 1 0 0 0 0 14 0 0 1 1 1 0 0 3 2 0 0 18 2 5 0 18 5 2 0 0 0 11 0 0 13 1 0 0 0 0 11 14 0 0 0 5 17 5 5 0 0 0 3 1 0 0 0 0 -3.6406 36 27 5 4 0 0 0 5 0 3.5 6 12 957.325 0.333 0.333 0 0.333 9 57 746 2 2 0 3 0 2 0 0 0 0 9 0 0 6 2 2 0 0 3 5 0 0 24 5 7 0 24 7 2 3 0 0 12 0 0 17 5 0 2 0 0 12 22 2 0 0 # 15.84 69.42 12.08 Env_2aa2_5 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 12 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 54 4 0 0 0 0 0 0 1 0 0 1 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 27 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 5 9 0 3 0 0 0 3 0 0 0 0 0 -0.436 20 14 3 3 0 0 0 3 0 3 0 12 533.102 0 0 0 0 0 19 486 0 2 2 0 0 5 0 2 0 0 8 1 0 0 0 0 0 0 0 0 0 0 8 3 7 2 8 9 3 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 2 13 2 4 0 0 0 1 0 1 0 0 0 -3.6586 23 17 4 2 0 0 1 4 0 1 2 11 651.183 0 0 0 0 4 30 657 0 2 2 0 0 3 0 1 0 0 4 3 4 0 1 1 0 2 0 0 0 0 9 5 8 1 11 7 5 0 0 0 22 0 0 0 0 0 1 0 0 22 0 1 0 0 3 12 2 3 0 0 0 4 0 0 1 0 0 -2.1909 25 17 3 4 1 0 0 3 0 4 2 8 651.727 0 0 0 0 6 35 845 0 2 2 0 0 1 0 0 0 1 4 3 4 0 2 1 2 2 0 1 0 0 12 5 8 0 14 6 5 0 0 0 22 0 0 0 0 0 3 0 0 22 0 3 0 0 # 15.21 67.08 21.13 Env_2aa2_6 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 7 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 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 -0.2096 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 54 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 4 0 0 0 0 1 0 5 0 5 1 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 2 0 0 0 0 0 -1.3167 5 3 0 2 0 0 0 0 0 2 3 2 90.667 0 0 0 0 0 8 41 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 3 0 0 0 0 1 0 4 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 8 2 3 0 0 1 1 0 2 1 0 0 -2.671 20 12 4 3 1 0 2 3 1 1 3 8 517.519 0 0 0 0 0 31 205 0 0 0 0 0 1 0 0 0 1 4 0 5 0 0 6 0 3 0 0 0 0 10 0 10 0 13 7 0 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 4 13 3 3 0 0 0 3 0 0 0 0 0 -1.9914 26 20 3 3 0 0 0 3 0 3 3 16 726.126 0 0 0 0 2 30 347 0 0 0 0 0 3 0 0 0 4 4 0 2 0 0 6 0 3 4 0 0 0 10 0 16 0 13 13 0 0 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 3 15 0 3 0 0 0 3 0 1 1 0 0 -3.6042 26 18 3 4 1 0 1 3 0 3 0 7 721.112 0 0 0 0 8 42 332 0 0 0 0 0 4 0 0 0 5 4 0 5 0 0 4 0 0 1 3 0 0 17 0 9 0 17 9 0 0 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 # 23.7 64.35 23.68