# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2qqt # POINT_FILE 2qqt_AIN.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_2qqt_0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 120 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 40 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 40 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 4 6 1 2 0 0 1 1 1 0 0 0 0 -1.2804 16 11 3 2 0 0 0 2.5 0.5 1.5 2 2 417.896 0.666 0.666 0 1.166 0 44 237 0 0 0 0 0 8 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 4 2 10 0 4 8 2 2 0 0 11 0 0 0 0 5 0 0 0 11 5 0 0 0 0 6 2 3 0 0 1 4 1 0 1 0 0 -5.2816 18 8 4 5 1 0 0 3.5 0.5 4.5 3 8 391.342 0.333 0.333 0 0.833 -4 25 324 0 0 0 0 0 7 3 0 3 1 2 0 2 0 0 0 0 0 0 0 0 0 5 3 10 0 5 7 3 3 0 0 13 0 0 0 0 5 0 0 0 13 5 0 0 0 8 14 1 4 0 0 1 7 0 0 0 0 0 -1.9308 35 23 5 7 0 0 0 4.5 0.5 7 2 23 921.326 0 0 0 0.5 -2 23 561 2 3 0 1 0 7 4 2 3 3 6 0 3 0 0 0 0 0 0 1 0 0 15 8 10 2 15 9 6 5 0 2 20 0 0 0 4 8 1 0 0 22 12 1 0 0 # 7.743 5.371 23.296 # 2qqt_A_596_AIN_105_Q_1_A Env_2qqt_1 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 57 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 38 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 19 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 7 1 2 3 0 0 1 2 0 0 0 0 -4.5413 18 10 5 3 0 0 0 3 2 2 0 4 457.009 1.665 0.666 0.999 1.665 -3 48 531 0 7 0 2 0 5 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 2 9 7 0 2 5 9 2 0 0 10 0 0 0 7 1 0 0 0 10 8 0 0 0 5 7 0 4 0 0 0 4 1 0 0 0 0 -1.3473 21 12 4 5 0 0 0 4 0 4.5 0 14 492.919 0.999 0.999 0 0.999 -6 15 439 1 4 0 8 0 3 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 4 12 5 0 4 3 6 8 0 0 14 0 0 0 5 2 0 0 0 14 7 0 0 0 5 10 5 4 0 0 1 3 2 0 0 0 0 -3.5587 30 20 5 5 0 0 0 4.5 0.5 4 6 11 766.557 0.999 0.999 0 1.499 2 47 650 2 0 0 4 0 2 4 1 3 4 3 0 0 5 0 0 0 0 0 2 0 0 16 8 5 1 16 3 3 8 0 0 17 0 0 0 3 5 5 0 0 17 8 5 0 0 # 4.682 1.816 24.377 # 2qqt_A_596_AIN_109_H_1_A Env_2qqt_2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 318 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 53 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 0 0 0 1 0 0 0 0 1 0 0 2 7 1 2 3 0 0 1 0 0 0 0 0 -1.4013 16 10 5 1 0 0 0 3 2 1 0 7 431.374 0.999 0 0.999 0.999 -3 30 654 2 6 0 0 0 0 0 0 0 0 0 0 0 3 5 0 0 0 0 0 0 0 10 6 0 0 10 0 6 0 0 0 0 0 0 0 6 0 10 0 0 0 6 10 0 0 3 5 0 2 0 0 0 2 2 0 0 0 0 -2.0935 14 8 2 4 0 0 0 2 0 3 0 7 334.685 0.999 0.999 0 0.999 -2 13 412 3 2 0 5 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 1 0 0 7 7 0 0 7 0 2 5 0 0 0 0 0 0 3 4 7 0 0 0 7 7 0 0 3 8 2 4 0 0 0 6 0 0 0 0 0 -4.0132 23 13 4 6 0 0 0 4 0 6 2 16 541.222 0 0 0 0 -4 13 1141 5 1 1 3 0 0 1 0 1 1 0 0 0 6 1 0 0 0 0 3 0 0 16 5 2 0 16 1 2 4 0 0 1 0 1 2 7 5 7 0 0 1 15 7 0 0 # 0.698 -2.13 29.621 # 2qqt_A_596_AIN_113_F_1_A Env_2qqt_3 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 38 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 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 152 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 2 3 0 0 0 0 1 2 0 0 0 0 -2.1068 8 5 0 3 0 0 0 0 0 2 3 1 174.467 0.666 0.666 0 0.666 1 16 233 0 1 0 3 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 4 1 0 3 0 2 3 0 0 1 0 0 0 1 2 4 0 0 1 3 4 0 0 3 4 6 1 0 0 2 1 0 0 0 0 0 -0.5721 17 13 3 1 0 0 0 2 1 1 8 6 441.112 0.333 0.333 0 1.333 2 34 520 0 1 0 2 0 0 0 0 8 0 0 0 0 6 0 0 0 0 0 0 0 0 6 3 8 0 6 0 9 2 0 0 8 0 0 0 1 1 7 0 0 8 2 7 0 0 2 5 0 6 0 0 0 1 1 0 0 0 0 -3.7712 15 7 6 2 0 0 0 6 0 1.5 0 11 345.023 0.333 0.333 0 0.333 -5 8 407 1 2 0 7 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 2 0 0 5 9 1 0 5 0 3 7 0 0 5 0 0 0 3 3 4 0 0 5 6 4 0 0 7 10 0 2 0 0 0 7 2 0 0 0 0 -1.6448 28 17 2 9 0 0 0 2 0 8 0 18 680.814 1.332 1.332 0 1.332 -6 18 868 2 2 1 13 0 1 0 0 0 0 3 0 0 5 0 0 0 0 0 1 0 0 11 15 2 0 11 2 2 13 0 0 11 0 0 1 7 4 5 0 0 11 12 5 0 0 # 2.462 -1.17 26.095 # 2qqt_A_596_AIN_255_R_1_A Env_2qqt_4 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 129 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 43 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 1 3 0 0 0 0 0 1 0 0 0 0 0 -0.0573 5 4 0 1 0 0 0 0 0 1 0 2 145.534 0 0 0 0 2 4 147 0 0 0 0 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 2 0 3 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 0 1 2 2 2 0 0 0 0 0 0 0 0 0 -0.9203 7 5 2 0 0 0 0 2 0 0 2 3 179.207 0 0 0 0 0 14 114 0 0 0 0 0 4 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 1 4 0 2 4 0 1 0 0 1 0 0 0 2 4 0 0 0 1 6 0 0 0 3 6 2 2 0 0 0 4 0 0 0 0 0 -3.4199 17 11 2 4 0 0 0 2 0 4 2 6 420.301 0 0 0 0 1 33 225 0 1 0 0 0 6 1 0 0 0 4 0 0 4 0 1 0 0 0 0 0 0 8 2 7 0 8 7 1 1 0 0 5 0 0 1 6 5 0 0 0 5 12 0 0 0 3 12 6 4 0 0 2 3 0 0 0 0 0 -3.2964 30 21 6 3 0 0 0 5 1 3 8 11 793.964 0 0 0 1 7 57 377 0 2 0 0 0 1 0 0 3 1 13 0 0 9 0 1 0 0 0 0 0 0 23 2 5 0 23 2 5 0 0 6 10 0 0 3 11 0 0 0 0 16 14 0 0 0 # 7.478 7.819 27.317 # 2qqt_A_596_AIN_258_E_1_A Env_2qqt_5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 132 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0366 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 44 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 3 7 1 2 0 0 0 2 0 0 0 0 0 -0.4203 15 11 2 2 0 0 0 2 0 2 1 9 412.883 0 0 0 0 1 10 486 0 0 0 0 0 0 4 0 0 0 0 0 0 3 6 2 0 0 0 0 0 0 9 4 2 0 9 2 0 4 0 0 2 0 0 1 4 8 0 0 0 2 13 0 0 0 5 10 2 4 0 0 0 5 0 0 2 0 0 -1.5764 28 17 4 5 2 0 1 4 0 5 2 18 716.81 0 0 0 0 -5 17 547 0 0 1 0 3 4 2 0 0 0 0 0 0 10 6 2 0 0 0 0 0 0 16 2 10 0 16 10 0 2 0 0 6 0 0 5 7 5 5 0 0 6 17 5 0 0 3 8 5 6 0 0 0 4 2 1 0 0 0 -5.9951 29 16 6 7 0 0 1 6 0 5 5 17 658.571 0.999 0.999 0 0.999 -7 34 708 1 3 1 0 3 2 3 0 0 1 1 0 0 9 2 2 1 0 0 0 0 0 14 6 9 0 14 9 3 3 0 1 3 0 0 5 11 6 3 0 0 4 22 3 0 0 # 1.859 9.923 31.187 # 2qqt_A_596_AIN_381_F_1_A Env_2qqt_6 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 141 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 47 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 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 47 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 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 1 0 0 0 0 0 -1.3794 5 3 1 1 0 0 0 1 0 1 0 3 126.161 0 0 0 0 -1 4 162 0 0 0 0 0 2 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 3 0 2 0 3 2 0 0 0 0 0 0 0 2 0 1 2 0 0 0 3 2 0 0 3 8 7 1 0 0 0 0 2 0 0 0 0 -1.173 21 18 1 2 0 0 0 1 0 1 7 3 577.795 0.999 0.999 0 0.999 11 51 450 0 0 0 0 0 1 3 0 1 4 2 0 0 8 2 0 0 0 0 0 0 0 16 3 2 0 16 1 1 3 0 0 4 0 3 10 0 3 1 0 0 4 16 1 0 0 2 11 3 4 1 0 1 4 0 1 0 0 0 -5.081 27 16 6 5 0 0 1 5 1 4 4 15 673.94 0.333 0 0.333 0.833 -4 30 701 0 1 0 2 0 1 1 0 4 0 6 0 0 6 3 0 3 0 0 0 0 0 15 4 8 0 15 4 5 3 0 0 3 0 1 8 1 9 5 0 0 3 19 5 0 0 # 6.601 4.965 36.292 # 2qqt_A_596_AIN_423_Q_1_A Env_2qqt_7 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.2624 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 168 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0.6094 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 2 159 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 2 1 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9718 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 298 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 0 0 0 0 0 3 2 0 0 0 3 2 0 0 0 3 5 2 0 0 0 1 0 1 0 0 0 -2.4957 12 8 2 2 0 0 1 2 0 1 5 4 290.06 0 0 0 0 2 24 480 0 0 0 0 0 2 0 0 1 0 0 0 0 6 0 0 3 0 0 0 0 0 6 0 6 0 6 5 1 0 0 0 0 0 0 2 4 4 2 0 0 0 10 2 0 0 3 5 5 1 0 0 0 2 0 0 0 0 0 -0.8758 16 13 1 2 0 0 0 1 0 2 5 5 423.287 0 0 0 0 6 29 553 0 0 0 0 0 3 0 0 2 0 0 0 0 6 2 0 3 0 0 0 0 0 8 0 8 0 8 6 2 0 0 0 2 0 0 4 2 5 3 0 0 2 11 3 0 0 2 6 4 1 0 0 0 1 0 0 0 0 0 -0.0916 14 12 1 1 0 0 0 1 0 1 4 5 393.853 0 0 0 0 3 20 237 0 0 0 0 0 1 0 0 4 0 0 0 0 5 4 0 0 0 0 0 0 0 9 0 5 0 9 1 4 0 0 0 4 0 0 4 1 4 1 0 0 4 9 1 0 0 # 1.705 7.802 35.326 # 2qqt_A_596_AIN_424_P_1_A