Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYI-KDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS 5BSH Chain:I ((16-276)) ---LGFIGAGKMAESIAKGAVRSGVLSPSRIKTAIHSNPARRTAF-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 I - contact count / total energy / energy per contact / energy per residue : 1103 -84056 -76.21 -323.29 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain I : 0.83 3D Compatibility (PKB) : -76.21 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.542

(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: