Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMSRRQFLKGMFGALAAGALTAGGGYGYARYLEPHMIETTEHTIKSSLIPHGFDGFKIVQFSDAHLSDYFT--------LEDLKTVILTINESKPDLIVFTGDIIDNPDTY-QHHQAVIPLLRKLN----------------APFGKLCIYGNHDHGGYGTA-VYKSLMTAGGFT-VYRN---------GYQTLSLADGSKIEIASLDDLMLGN----------PDYEGTLSRLSDRLFSILLVHEPDAAL--------KTTDYPVNLQLSGHTHGGQIQLPFYGPIITPPYGKVYTEGMYQTGSTHIYVNRGLGMTRLPLRFLAKPEITVFTLKSTN 3T1I Chain:A ((28-272)) ----------------------------------------------------DDENTFKILVATDIHLGFMEKDAVRGNDTFVTLDEILRLAQENEVDFILLGGDLFHENKPSRKTLHTCLELLRKYCMGDRPVQFEILSDQLNISIPVFSIHGNHDDPTGADALCALDILSCAGFVNHFGRSMSVEKIDISPVLLQKG-STKIALYGLGSIPDERLYRMFVNKKVTMLRPKE--DENSWFNLFVIHQNRSKHGSTNFIPEQFLDDFIDLVIWGHEHECKIA----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3T1I.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 : 853 -120737 -141.54 -697.90 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -141.54 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_3T1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3T1I-query.scw PDB file : Tito_Scwrl_3T1I.pdb: