Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRNNSQNLIMLKHDFASHIEDLKCATKPRSEALGRHLWTCTI--DADFYWLKFHLPNVHAQSEQDFLHELQFYEDITYKKANWLLPFKIIEGRTISQQTQFQGKVLV--LPDTECWFDDLDQ---KQNLKNINEKIYLALVKLAELHELGWIHGDIKKEHFRKF---KQELYLIDFEKTRLISSP--DPITDATPRYMAPELFHGANKTVQSDLYALGIVLYEWLTQTRLQANSYHEWAVLHCQKLN----VELPSS-FQIFLPLLSGLLQKQQQNRFSNVHEAINCLKALST 1TKI Chain:B ((21-274)) --------------------YEKYMIAEDLGRGEFGI-VHRCVETSSKKTYMAKFVKVKG--TDQVLVKKEISILNIARH--RNILHLHESFES--------MEELVMIFEFISGLDIFERINTSAFELNEREIVSYVHQVCEALQFLHSHNIGHFDIRPENIIYQTRRSSTIKIIEFGQARQLKPGDNFRLLFTAPEYYAPEVHQHDVVSTATDMWSLGTLVYVLLSGINPFLAETNQQIIENIMNAEYTFDEEAFKEISIEAMDFVDRLLVKERKSRMT-ASEALQ-------

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 B - contact count / total energy / energy per contact / energy per residue : 1012 -36495 -36.06 -153.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -36.06 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.376

(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: