Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGFIGLGNMGASLAKSVLQTR--TSDEILLANRSQ-AKVDAFIADFGGQASSNEEMFAEADVIFLGVKPAQFSELLSQYQTILEKRESLLLISMAAGLTLEKLASLIPSQHRIIRMMPNTPASIGQGVISYALSPNCRTEDSELFCQLLSKAGLLVELGESLINAATGLAGCGPAFVYLFIEALADAGVQTGLPRETALKMAAQTVVGAGQLVLESQQHPGVLKDQVCSPGGSTIAGVASLEAHAFRGIVMEAVHQAYKRTQELGK 5BSE Chain:I ((16-276)) --LGFIGAGKMAESIAKGAVRSGVLSPSRIKTAIHSNPARRTAFESIGITVLSSNDDVVRDSNVVVFSVKPQLLKDVVLKLKPLLTKDK--LLVSVAAGIKMKDLQEW-AGHERFIRVMPNTAATVGEAASVMSLGGAATEEDANLISQLFGSIGKIWKADDKYFDAITGLSGSGPAYIYLAIEALADGGVAAGLPRDLALSLASQTVLGAASMATQSGKHPGQLKDDVTSPGGTTIAGVHELEKAGFRGILMNAVVAAAKRSQEL--

General information: TITO was launched using: RESULT: Template: 5BSE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 1120 -40935 -36.55 -158.66 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain I : 0.86 3D Compatibility (PKB) : -36.55 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_5BSE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BSE-query.scw PDB file : Tito_Scwrl_5BSE.pdb: