Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKTALMMLSVLMVLAIFLSACSGSKSSNSSAKKSAGKPQQGGDLVVGSIGEPTLFNSLYSTDDASTDIENMLYSFLTKTDEKLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKELTADDVVFTYSVPLSKDYKGERGSTY---EMLKSVEKKGDYEVLFKLKYKDGNFYNNALDSTA-ILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAVAQLQAGDINFFNVPATDYKTAE---KFNNLKIVTD-LALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDG--DGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTLKTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMN-PPNWDFDAMVMGWSLSTFPDQ-YDIFHSSQIKKGLNYVWYKNAEADKLMKDAKSISDRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHP---KRDLYNIEKWWLAK 5ISU Chain:A ((15-502)) -----------------------------------------KDGGSLIIGVTGDPEVINPNYASDRVTLTIQQAVYAPLFWEVD-G--KPALAKSLDISDDNLTYTVKLKDGLTWHDGKPLTADDVVFTVNSILDTKQNSPNRGNFVFDDKPVKVEAVDDTTVKFTLPTVAPAFENTIK--TFFPIPKHIFEGVEN--IEK-SDKNKNPIGSGPYKFVEYKTGEYVSLERFNDYFDGKPKLDKVTFRITKDQNAANLALQNGEINLKSIQPSDRNKVEKASAVNI----ITYPENRLSYATFNENQPALKSKELRQALSYALDREEIIDAAYGSDEYAKPASSFLTENTKYFT--DKVETYDQDIAKAKKLVKESGFDTS----------Q--KLTVYYLNNSKSQESIALYLQQQYKEIGVTLDLKPTDPNALSNITLDRKNADYSIALNGYIMGNDPDAYKSLYLSDA---PYNYSNYHNKDLDALWEKGAVTADDKERQEIYEKIQNTIADDAVIYPISYDNAVLALDSRYGGQKAATPQPVTMFRDLSKLYLTE

General information: TITO was launched using: RESULT: Template: 5ISU.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 : 2576 -131404 -51.01 -277.81 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -51.01 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_5ISU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ISU-query.scw PDB file : Tito_Scwrl_5ISU.pdb: