Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYI-KDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS 5BSH Chain:C ((16-276)) ---LGFIGAGKMAESIAKGAVRSGVLSPSRIKTA--SNPARRTAF-ESIGITVLSSNDDVVRDSNVVVFSVKPQLLKDVVLKLKPLLTKDKLLVSVAAGIKMKDLQEWAGHE-RFIRVMPNTAATVGEAASVMSLGGAATEEDANLISQLFGSIGKIWKADDKYFDAITGLSGSGPAYIYLAIEALADGGVAAGLPRDLALSLASQTVLGAASMATQSGKHPGQLKDDVTSPGGTTIAGVHELEKAGFRGILMNAVVAAAKRSQEL-------------

General information: TITO was launched using: RESULT: Template: 5BSH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1074 -81331 -75.73 -315.23 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -75.73 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_5BSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BSH-query.scw PDB file : Tito_Scwrl_5BSH.pdb: