Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILF-----VLYVQLRNKDSIPVQ-SSAIHPEEDRIFFIYSNPFIKESVLLSTSTGE------RFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEK----DVI-----KEHPLSDPFAFWYEG---KDVTIEAYN---VDT-TGNEIHINDRKT-KKEYTLTLPP---LVTMGASDENFIYII--QSMSIYVIDRKTEEMIET---LSLASYADQFADSEEFIVASS--------DHKLTVIE-KGTWKTTYIAYPEDLEYADTVYYDKESGSFYVA-YEDKEGGANLLEYGEDFSIHTYSLKFPYMEAKFKGNLLYIVAQ-------EEHKKGIG-GYVGVFDIHSKEMLYQFDLPEEQVKVQ------DFVVVDNK------------ 3BWS Chain:A ((27-433)) -GTEIVKFSIHPYKGTVIRLGEEILPFKVLEMDKNIALVEMAIPVYKDEKEIELKLSSPGFQNSSYRIRKPEELNEKLIALDKEGITHRFISRFKTGFQPKS--VRFIDNTRLAIPLLEDEGMDVLDINSGQTVRLSPPEKYKKKLGFVETISIPEHNELWVSQMQANAVHVFDLKTLAYKATVDLTGKWSKILLYDPIRDLVYCSNWISEDISVIDRKTKLEIRKTDKIGLPRGLLLSKDGKELYIAQFSASNQESGGGRLGIYSMDKEKLIDTIGPPGN--KRHIVSGNTENKIYVSDMCCSKIEVYDLKEKKVQKSIPVFD-KPNTIALSPDGKYLYVSCRGPNHPTEGYLKKGLVLGKVYVIDTTTDTVKEFWEAGNQPTGLDVSPDNRYLVISDFLDHQIRVYRRDGF

General information: TITO was launched using: RESULT: Template: 3BWS.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 : 1791 -130353 -72.78 -390.28 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -72.78 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.285

(partial model without unconserved sides chains): PDB file : Tito_3BWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWS-query.scw PDB file : Tito_Scwrl_3BWS.pdb: