Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVGIILASHGQFAEGILQSGSMIFGEQENVKAVILKPSEGPDDLRAKLEEAVASFDNQDEVLFLVDLWGGTPFNQSNTLFEEHKDKWAIVSGLNLPMLIEAYASRFSMESAHEIAAHIIETAKDGVKVKPEELEPAEAPKAAVEDAQPKGALPEGTVVGDGKIKYVLARVDSRLLHGQVATAWTKAVQPNRIIVVSDAVSKDDLRKRLIEQAAPPGVKANVIPISKMIEVAKDPRFGNTKALLLFENPEDVLTAVEGGVDIKELNVGSMAHSVGKVVVSKVLSMGQEDVEAFEKLEQKGVKFDVRKVPNDSRDNMDDILKKAKAELAKA 1BLE Chain:A ((2-162)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------MNIVLARIDDRFIHGQILTRWIKVHAADRIIVVSDDIAQDEMRKTLILSVAPSNVKASAVSVSKMAKAFHSPRYEGVTAMLLFENPSDIVSLIEAGVPIKTVNVGGMRFENHRRQITKSVSVTEQDIKAFETLSDKGVKLELRQLPSDASEDFVQILRNVT------

General information: TITO was launched using: RESULT: Template: 1BLE.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 : 786 -121614 -154.73 -755.37 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -154.73 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_1BLE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BLE-query.scw PDB file : Tito_Scwrl_1BLE.pdb: