Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEKQHYSPGLDGVIAAETHISYLDTQSSQILIRGYDLIELSETKSYLELVHLLLEGRLPEESEMETLERKINSASSLPADHLRLLELLPEDTHPMDGLRTGLSALAGYDRQIDDRSPSANKERAYQLLGKMPALTAASYRIINKKEPILPLQTLSYSANFLYMMTGKLPSSLEEQIFDRSLVLYSEHEMPNSTFAARVIASTHSDLYGALTGAVASLKGNLHGGANEAVMYLLLEAKTTSDFEQLLQTKLKRKEKIMGFGHRVYMKKMDPRALMMKEALQQLCDKAGDHRLYEMCEAGERLMEKEKGLYPNLDYYAAPVYWMLGIPIPLYTPIFFSARTSGLCAHVIEQHANNRLFRPRVSYMGPRYQTKS 3HWK Chain:C ((48-404)) -----DIKKGLAGVVVDTTAISKVVPQTNSLTYRGYPVQDLAARCSFEQVAFLLWRGELPTDAELALFSQRERASRRVDRSMLSLLAKLPDNCHPMDVVRTAISYLGAEDPDEDD--AAANRAKAMRMMAVLPTIVAIDMRRRRGLPPIAPHSGLGYAQNFLHMCFGEVPETAVVSAFEQSMILYAEHGFNASTFAARVVTSTQSDIYSAVTGAIGALKGRLHGGANEAVMHDMIEIGDPANAREWLRAKLARKEKIMGFGHRVY-RHGDSRVPTMKRALERVGTVRDGQRWLDIYQVLAAEMASATGILPNLDFPTGPAYYLMGFDIASFTPIFVMSRITGWTAHIMEQATANALIRPLSAYCG-------

General information: TITO was launched using: RESULT: Template: 3HWK.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 : 1813 -182183 -100.49 -510.32 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -100.49 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3HWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HWK-query.scw PDB file : Tito_Scwrl_3HWK.pdb: