Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAPRQGLFASLLIISFALHTFLLVIATTHQLNENRASQGQLMTSQLVADSLSELEPANTVSLALIANRYATNPSVASIRILDANKQVLATSGMSKTRQGEIFVRDALQNEKKVGSIEITLIQPSIGEILRTQWLAILASLFLHVLLWLAYRAIARPTRSEYLARINEENRLKHEIQELTQALALEKQNTVTLVAQAQQQAKVKPIVRSQPEKSLESTDQNTLALNIQFYDPKQLLSSVNQSVSVPYFKLCQLFLNKSIELCTKHYHLKATDIDVVDEFHAEGATLAISTS--HPHAVECLLMVGTVFQLLSDVLYKRYREDKRFALQTRSA-------VCNAVE---A-MQI-DAKEAAQRLAQHLHAKESALYLDNEQLKAIQDSYQLVAMPNPSNVMTRHAFMINGMNAECAELAQNIRTEILMGKKSIPQNASPSSAAS 4NI2 Chain:A ((8-163)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QAKKFSNVTM-LFSDIVGFTAICSQCSPLQVITMLNALYTRFDQQCGELD----------VYKVETIGDAYCVAGGLHKESDTHAVQIALMALKMME----LSDEVMSPHGEPIKMRIGLHSGSVFAGVVGVKMPRYCLFGNNVTLANKFESCSVPRKINVSP--TTYRLLKD---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NI2.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 : 652 -52043 -79.82 -366.50 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -79.82 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4NI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NI2-query.scw PDB file : Tito_Scwrl_4NI2.pdb: