Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIKDIAQEAGFSISTVSRVLNNDESLSVPDETREKIYEAAEKLNYRKKTV-RPL-VKHIAFLYWLTDKEELEDVYFKTMRLEVEK----------LAKAFN--------VDMTTYKIADGIESIPEHTEGFIAVGTFSDEELAFLRNLTE-NGVFID-STPDPDHFDSVRPDLAQMTRKTVNILTEKGHKSIGFIGGTYKNPNTNQDEMDIREQTFRSYMREKAMLDERYIFCHRGFSVENGYRLMSAAIDTLGDQLPTAFMIAADPIAVGCLQALNEKGIAIPNRVSIVSINNISFAKYVSPPLTTFHIDIHELCKNAVQLLLEQVQDKRRTVKTLYVGAELIVRKSMN 1QQB Chain:A ((2-330)) --TIKDVAKRANVSTTTVSHVIN--KTRFVAEETRNAVWAAIKELHYSPSAVARSLAVNHTKSIGLLATSSEA--AYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGL---------LVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLER-NTGAG----RLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQ--PHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV-

General information: TITO was launched using: RESULT: Template: 1QQB.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 : 1589 4494 2.83 14.64 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 2.83 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_1QQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QQB-query.scw PDB file : Tito_Scwrl_1QQB.pdb: