Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLLPN-PERAWERAAHVQTLARAEIERRIPPFTGEVEVLSGGHA-NVNVRL---GAERVLRVYRRDASA-APKEASLLAHGWRS--FRVPAVLSAG----DDFLVLEHVPHVPLQDTAMCGAAVGRALAEIH------GVGYDSAGFLGPELAVSVPFADCIGALRGH-VDAVLDRLAPALRGELSERVRAFLDANAEALRALASAPVLLHGDFKASNLHWLSSGELLVLDWEFAYAGPGLMDVGQLLRWSPGREFVAAFAGAYRESAPLPEEFERWAAAFDLFNLVGLLDGV-EPGSRRAADVCGRISEVVER 3JR1 Chain:A ((14-309)) NLYFQGMWKSISQVLAEQFG----------AYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKNKQS--SFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEK--GLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIEN-CIQVDDKIFVCNP-ACYWGDRECDIAFSSLFEP---FPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1367 -25236 -18.46 -91.43 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -18.46 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: