Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHNL---ITTKTEFSQMPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQL-ITRVKRNMKPQVLAPFDHAVLKKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 2DVY Chain:A ((1-223)) MIHLTSVEASVSFENGKIVVRLPITRPTSKI---------RVKKIENGVGIPVSTRKKSFPSDE--------------NLRDYYIEWQ-----------ISYAR----DGKYDYELSRMVRLAHEHG----ILTYNDIYELLKFADDVKSYLEDKGIRRESTNEELYGFNIYEDV--------YPVAKKELPSGEFIGIVLKHKQ--------------RAVGYQSMVYVCIPLTNVEPSLAGRVARR------------------------NEVVKYEVPVDLMKELLKAFII----ASETHKNDIVKFLRSII----

General information: TITO was launched using: RESULT: Template: 2DVY.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 : 964 10220 10.60 46.67 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 10.60 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.236

(partial model without unconserved sides chains): PDB file : Tito_2DVY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DVY-query.scw PDB file : Tito_Scwrl_2DVY.pdb: