Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYDHILIRFGEISTKGKNRKSFIER-LKQNIR--LVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATAL----KAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFG-GSMTLHIVP--FTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF 1VBK Chain:B ((4-258)) -----VIVRY-----KSRQTRSWFEKILMNNIREALVTEEVPYKEIFSRHGRIIVKTN--SPKEAANVLVRVFGIVSISPAMEVEASLEKINRTALLMFRKKAKEVGKERPKFRVTARRITKEFPLDSLEIQAKVGEYIL-NNENCEVDLKNYDIEIGIEIMQGKAYIYTEKIKGWGGLPIGTEGRMIGILHDEL-SALAIFLMMKRGVEVIPVYIGK----DDKNLEKVRSLWNLLKRYSYGSKGFLVVAESFDRVLKLIR-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VBK.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 : 1166 -19109 -16.39 -81.66 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -16.39 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_1VBK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VBK-query.scw PDB file : Tito_Scwrl_1VBK.pdb: