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 2PUC Chain:A ((2-330)) --TIKDVAKRANVSTTTVSHVIN--KTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEA--AYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGL---------LVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLE-ANTGAG----RLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQ--PHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV-

General information: TITO was launched using: RESULT: Template: 2PUC.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 : 1586 8352 5.27 27.20 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 5.27 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2PUC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUC-query.scw PDB file : Tito_Scwrl_2PUC.pdb: