Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKVEVKHLTKIFGKKTQAALDMMNDHQPKTEILKKTGATVGVYDVNFDVKEGEIFVIMGLSGSGKSTLIRLLNRLIEPTSGSIYIDGEDVSKLSKEELREVRRHKINMVFQNFGLFPHRTILENTEYGLEVRGVPKEERQEKAEKALENSSLLSFKDQYPSQLSGGMQQRVGLARALANDPEILLMDEAFSALDPLIRREMQDELLDLQANVQKTIIFITHDLNEALRIGDRIALMKDGEIMQIGTGEEILTNPANDYVREFVEEVDRSKVLTAQNIMVPALTTNIESDGPNVALTRMRNEEVSMLMAVDRKRHLKGIITADQALEARKQKRPLIDFLDENVTVIGKDMVVSDIFNIIYDSPTPLAVVEDGKLKGVVIRGSVIEALAETSEVSEHE 3TUI Chain:C ((23-263)) -HMIKLSNITKVFHQGT--------------------RTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKA-RRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKF--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1285 -162444 -126.42 -674.04 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -126.42 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: