Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGNIKRTKQLKSIIRQHNKS-IKYVKQINRGYYGYVFLITDPF-GKKSVAKVYKKDDYAKREMAQLEMLAKHSLAH-IPEIYAIDTKK---QNGFFDILFMEFIDGVDASRIKVIDEKEKMRLSNEIVDNLIAIHSVSNPNGFGDF-VSGNYFERWQDYYKLQIDSLFGSL-KSDRPKK---FSKQSFSIAEKLYYSFD---DVFCLEVKQNSLIHGDYNLWNLMVDPATNRLAAVIDPFGCSFADRELDLFQLQNSN-------GNEYRLLENYASKIPLSEIFEIKNAYYRFWDDIKHLVNVGYCDNDSFCKYGNMTLELLNR 3I1A Chain:B ((2-289)) -LKQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH-DEINLSIIRLLHDS-GIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGF-TQNL----TGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGN--EESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV-D---KTILSYYRHERIVEDI------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 1062 5241 4.93 19.63 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 4.93 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: