Atom – based | Residue – based | Secondary structure – based |
---|---|---|
ATOM-TYPE-IS-C | RESIDUE_NAME_IS_ALA | SECONDARY_STRUCTURE1_IS_3HELIX |
ATOM-TYPE-IS-CT | RESIDUE_NAME_IS_ARG | SECONDARY_STRUCTURE1_IS_4HELIX |
ATOM-TYPE-IS-Ca | RESIDUE_NAME_IS_ASN | SECONDARY_STRUCTURE1_IS_5HELIX |
ATOM-TYPE-IS-N | RESIDUE_NAME_IS_ASP | SECONDARY_STRUCTURE1_IS_BRIDGE |
ATOM-TYPE-IS-N2 | RESIDUE_NAME_IS_CYS | SECONDARY_STRUCTURE1_IS_STRAND |
ATOM-TYPE-IS-N3 | RESIDUE_NAME_IS_GLN | SECONDARY_STRUCTURE1_IS_TURN |
ATOM-TYPE-IS-Na | RESIDUE_NAME_IS_GLU | SECONDARY_STRUCTURE1_IS_BEND |
ATOM-TYPE-IS-O | RESIDUE_NAME_IS_GLY | SECONDARY_STRUCTURE1_IS_COIL |
ATOM-TYPE-IS-O2 | RESIDUE_NAME_IS_HIS | SECONDARY_STRUCTURE1_IS_HET |
ATOM-TYPE-IS-OH | RESIDUE_NAME_IS_ILE | SECONDARY_STRUCTURE1_IS_UNKNOWN |
ATOM-TYPE-IS-S | RESIDUE_NAME_IS_LEU | SECONDARY_STRUCTURE2_IS_HELIX |
ATOM-TYPE-IS-SH | RESIDUE_NAME_IS_LYS | SECONDARY_STRUCTURE2_IS_BETA |
ATOM-TYPE-IS-OTHER | RESIDUE_NAME_IS_MET | SECONDARY_STRUCTURE2_IS_COIL |
ATOM-NAME-IS-ANY | RESIDUE_NAME_IS_PHE | SECONDARY_STRUCTURE2_IS_HET |
ATOM-NAME-IS-C | RESIDUE_NAME_IS_PRO | SECONDARY_STRUCTURE2_IS_UNKNOWN |
ATOM-NAME-IS-N | RESIDUE_NAME_IS_SER | Â |
ATOM-NAME-IS-O | RESIDUE_NAME_IS_THR | Â |
ATOM-NAME-IS-S | RESIDUE_NAME_IS_TRP | Â |
ATOM-NAME-IS-OTHER | RESIDUE_NAME_IS_TYR | Â |
HYDROXYL | RESIDUE_NAME_IS_VAL | Â |
AMIDE | RESIDUE_NAME_IS_HOH | Â |
AMINE | RESIDUE_NAME_IS_OTHER | Â |
CARBONYL | CLASS1_IS_HYDROPHOBIC | Â |
RING-SYSTEM | CLASS1_IS_CHARGED | Â |
PEPTIDE | CLASS1_IS_POLAR | Â |
 | CLASS1_IS_UNKNOWN |  |
 | CLASS2_IS_NONPOLAR |  |
 | CLASS2_IS_POLAR |  |
 | CLASS2_IS_BASIC |  |
 | CLASS2_IS_ACIDIC |  |
 | CLASS2_IS_UNKNOWN |  |
 | PARTIAL-CHARGE |  |
 | VDW-VOLUME |  |
 | CHARGE |  |
 | CHARGE-WITH-HIS |  |
 | NEG-CHARGE |  |
 | POS-CHARGE |  |
 | HYDROPHOBICITY |  |
 | MOBILITY |  |
 | SOLVENT-ACCESSIBILITY |  |