Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSTQQWQSVTWFEVDEHQAGQRIDNFLFSRLKGVPKSRIYRLIREGQVRVNKKRIKAETKLAIGDQIRVAPIRYEQKDETAAPVSDSVAQGLLSRVVYEDEGLLVVNKPSGIAVHGGSG------VAYGLIEALRAATGKKYLELIHRIDRDTSGLVMISKKRSTLKLLQDMLREHKIRKTYAAIVKGQVSLDKQLIDAPLFRYELANGERRVRV-----SKEGKPSKTEWVVAERFKNA----TLVHASPLSGRTHQIRVHGLSIGHPLVGDDKYGHNTAYTGPEAR--RLCLHAMRLDIP-GYPTIEAPLPEDMTQLLEALRVAK 5VBB Chain:A ((11-237)) ------------------------------------------------------------------------------------------------IVYRSRDFLVVNKHWDVRID----LTLQKQLRYRFP---------GF-RFCHQLDFSTSGALCVALNKAAAGSAYRCFKERRVTKAYLALLRGHIQESRVTISHAIGRNSTEGRAHTMCIEGSQGCENPKPSLTDLVVLEHGLYAGDPVSKVLLKPLTGRTHQLRVHCSALGHPVVGDLTYGE---VSGREDRPFRMMLHAFYLRIPTDTECVEVCTPDPFLPSLDAC----

General information: TITO was launched using: RESULT: Template: 5VBB.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 : 995 -2843 -2.86 -14.73 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -2.86 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_5VBB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VBB-query.scw PDB file : Tito_Scwrl_5VBB.pdb: