Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTGVISSSSIGEKINEWYMYIRRFSIPDAEYLRREIKQELDQMEEDQDLHLYYSLMEFRHNLMLEYLEPLEKMRIEEQPRLSDLLLEIDKKQARLTGLLEYYFNFFRGMYELDQREYLSAIKFFKKAESKLIFVKDR-IEKAEFFFKMSESYYYMKQTYFSMDYARQAYEIYKEHEAYNIRLLQCHSLFATNFLDLKQYEDAISHFQKAYSMAEAEKQPQLMGRTLYNIGLCKNSQSQYEDAIPYFKRAIAVFEESNILPSLPQAYFLITQIHYKLGKI---DKAHEYHSKGMAYSQKAGDVIYLSEFEFLKSLYLSGPDEEAIQGFFDFLESKMLYADLEDFAIDVAKYYHERKNFQKASAYFLKVEQVRQLIQGGVSLYEIEV 4I1A Chain:A ((101-331)) ------------------------------------------------LEYYFYFFKGMYEFRRKELISAISA-YR---IA---ES-KLSE--VEDEIEKAEFFFKVSYVYYYMKQTYFSMNYANRALKIFREYEEYAVQTVRCQFIVAGNLIDSLEYERALEQFLKSLEISKES-NIEHLIAMSHMNIGICYDELKEYKKASQHLILALEIFEKSKHS-FLTKTLFTLTYVEAKQQNYNVALIYFRKGRFIADKSDDKEY-SAKFKILEGLFFSDGETQLIKNAFSYLASR---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4I1A.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 : 998 -59269 -59.39 -261.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -59.39 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_4I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I1A-query.scw PDB file : Tito_Scwrl_4I1A.pdb: