Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFVFNGFYTLISAVIVLLLGRFLVNRI-DFLERYNIPEPVAGGLVAAVVSLLVHTFWGYSIV-FS--SELQTSF----MLVFFASIGL-SANFMKLKEG-GTALVIFLICVASFIVVQNAVGMSLATLLGLDPLIGLIAG--SITLTGGHGTAGAWGEILESQHGIQGALALGMASATFGLIM-CVIGGPLAKLLINRYSLAQAKTNAEIQQRDTHVEQNSDDLAPFENPHQVRLITADNAITTLGMFAACLAFAEFMTGFSKGTWFELPTFVWALGGGVILRNILESVLKVDIFDRAIDVFGNASLSLYLAMALLSLKLWQLADLAGPLVVILVAQTLTMALYAAFVTFRVMGKNYDAAVLAASHCGFGMGATPTAVANMQAITNMYGPSHKAFLIVPLCGAFFVDLINATVIQLMLKFIA 5A1S Chain:D ((269-445)) -------AVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAAL----NASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANV---VIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLS---AC-N-RMNLISYAQISSRLGGGIVLVIASIVFSMM-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5A1S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 431 -51978 -120.60 -316.94 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.53 3D Compatibility (PKB) : -120.60 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.086

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: