Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEYTYLGRTGLRVSRLCLGTMNFGVDTDEKTAFRIMDEALDNGIQFFDTANIYGWGKNAGLTESIIGKWFAQGGQRREKVVLATKVYEPISDPNDGPNDMRGLSLYKIRRHLEGSLKRLQTDHIELYQMHHIDRRTPWDEIWEAFETQVRSGKVDYIGSSNFAGWHLVKAQAEAEKRRFMGLVTEQHKYSLLERTAEMEVLPAARDLGLGVVAWSPLAGGLLGGKALKSNAGTRTAKRADLIEKHRLQLEKFSDLCKELGEKEANVALAWVLANPVLTAPIIGPRTVEQLRDTIKAVEISLDKEILRMLNDIFPGPGGETPEAYAW 2BP1 Chain:B ((43-237)) -----------------LGTMEMGRRMDAPASAAAVRAFLERGHTELDTAFMYSDGQ----SETILGGLGLGLG---CRVKIATK-----ANPWDG----KSLKPDSVRSQLETSLKRLQCPQVDLFYLHAPDHGTPVEETLHACQRLHQEGKFVELGLSNYASWEVAEICTLCKSNGWILPTVYQGMYNATTRQVETELFPCLRHFGLRFYAYNPLAGGLLTGK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BP1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 932 -79197 -84.97 -412.48 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -84.97 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_2BP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BP1-query.scw PDB file : Tito_Scwrl_2BP1.pdb: