Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEKEMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLIKK---SLGGILFIDEAYSLARGGEK---DFGKEAIDTLVKHMEDK---QHEFILILAGYSREMDHFLSLNPGLQSRFPISIDFPDYSVTQLMEIAKRMIDEREYQLSQEAEWKLKDYLMTVKSTTSPIKFSNGRFVRNVIEKSIRAQAMRLLMGDQYLKSDLMTIKSQDLSIKEEASGSA 1XWI Chain:A ((6-236)) -------------------------------------------------RPNVKWSDVAGLEGAKEALKEAVILPIKFPHLFTGK---RTPWRGILLFGPPGTGKSYLAKAVATEANN------STFFSISSSDLVSKWLGESEKLVKNLFQLARENKPSIIFIDEIDSLCGSRSENESEAARRIKTEFLVQMQGVGVDNDGILVLGATNIPW-----VLDSAIRRRFEKRIYIPLPEPHARAAMFKLHLGTTQNSLTEADFRELGRK----------TDGYSGADISIIVRDALMQPVRKVQS---------------------------

General information: TITO was launched using: RESULT: Template: 1XWI.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 : 935 -108081 -115.59 -486.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -115.59 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_1XWI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XWI-query.scw PDB file : Tito_Scwrl_1XWI.pdb: