Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHVPLSIHTTSYSMAAWDITTADEAWLIELCHKSADEGRQIGGQEHGGPKVVRISDRIVAKYGNIRRSELAAQEVAYHNTDRSIVHIPKVHRFFESDGQSYLFMEYVEGQTLEDVDFETHKDIPIRVANILAHLQQILGDCDSPGPVTGGEAHGYIFGDEGAGTAFDSIEDMNVYMNKRLDKMNEYLSRQEDQRRFDHLDLTPYALVLCHGDICRRNIIFESDGSLCLVDWGFAGFYPRIFELAAISYVVQNNAAFKDPIIHEFTKLLSLTD------------------KEKQDIDRFRAVRFANLRWSFRD-RRTTAEEDKFIQELYETQKRIKEEQETAGIQSFIISELLDGLLEQKSRPDLEVRHVPRPWTGSQTAIGHVKRVVVVGLDVNVASFILAMKILSSRRIFVIRTTQGSPK 1TKI Chain:A ((18-338)) ------KELYEKYMIAEDLGRGEFGIVHRCVETS-----------SKKTYMAKFVKVKGTDQVLVKKEISILNIARHRN-------ILHLHESFESMEELVMIFEFISG------------------LDIFERIN----------------TSAFELNEREIVSYVHQVCEALQFLHSH---------------NIGHFDIRPENIIYQT----------RRSSTIKIIEFGQA----RQLKPGDNFRLLFTAPEYYAPEVHQHDVVSTATDMWSLGTLVYVLLSGINPFLAETNQQIIENIMNAEYTFDEEAFKEISIEAMDFVDRLLVKERKSRMTASEALQHPWLKQK--IERVSTKVIRTLKHRRYYHTLIKKDL-----------NMVVSAARISCGGAIRSQKGVSVAKVKVASI-

General information: TITO was launched using: RESULT: Template: 1TKI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1583 -74236 -46.90 -245.81 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -46.90 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_1TKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1tki-query.scw PDB file : Tito_Scwrl_1TKI.pdb: