Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENQNKLYHFVGIKGSGMSSLALVLHEQGLNVQGSDIEKYFFTQRDLEKANITIL-PFNADNVKPGMTIIAGNAFPDSHEEIQRAKELGLEVIRYHDFIGHFIQNYTSIAVTGSHGKTSTTGLLSHVLS--GVRPTSYLIGDGTG-----H-GDPQAEFFSFEACEYRRHFLAYSPDYAIMTNIDFDHPDYYT-SIDDVFTAFQTMAGQVK--KAIFAYGDDAYLRKLKANV--PIYYYGVTE-NDDIQARNIERTTSGSAFDVYHGDEFVGHFTVPAFGKHNILNALGVIAVAY-FEKLDLKEVAEEMLTFPGVKRRFSEKIVADMTVVDDYAHHPAEIKATIDGARQKYPDKEIIAVFQPHTFTRTIALMDEFAEALDLADKVYLCDIFGSAREEQGNVKIEDLGAKIKKGGEVIKENNVSPLLDYHDAVVIFMGAGDVQKFEQAYEKLLSSTTKNVL 5VVW Chain:G ((8-312)) ----HRRIHFVGIGGAGMCGIAEVLLNLGYEVSGSDLKA-SAVTERLEKFGAQIFIGHQAENADGADVLVVSSAINRANPEVASALERRIPVVPRAEMLAELMRYRHGIAVAGTHGKTTTTSLIASVFAAGGLDP-TFVIGGRLNAAGTNAQLGA-SRYLVAEADESDASFLHLQPMVAVVTNIDADHMATYGGDFNKLKKTFVEFLHNLPFYGLAVMCVDDPVVREILPQIARPTVTYGLSEDADV-RAINIRQEGMRTWFTVLRPEREPLDVSVNMPGLHNVLNSLATIVIATDEG-ISDEAIVQGLSGFQG--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VVW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1613 -31124 -19.30 -107.69 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain G : 0.70 3D Compatibility (PKB) : -19.30 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5VVW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VVW-query.scw PDB file : Tito_Scwrl_5VVW.pdb: