Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRKKLALSLIAFWLTACLVGCASWIDRGESITAVG-STALQPLVEVAADEFGTIHVGKTVNVQGGGSGTGLSQVQSG--AVDIGNSDVFAEE-KDGIDASALVDHKVAVAGLALIVNKEVDVDNLTTEQLRQIFIGEVTNWKEVGGKDLPISVINRAAGSGSRATFDTVIMEGQSAMQSQEQ--------DSNGAVKSIVSKSPGAISYLSLTYIDDSVKS----MKLNGYDLSPENISSNNWPLWSYEHMYTLGQ-PNELAAEFLNFVLSDETQEGIVKGLKYIPIKEMKVEKDAAGTVTVLEGRQ 4N13 Chain:A ((11-264)) ------------------------------EKIVSIGGSTTVSPILDEMILRYDKINNNTKVTYDAQGSSVGINGLFNKIYKIAISSRDLTKEEIEQGAKETVF-----AYDALIFITSPEIKITNITEENLAKILNGEIQNWKQVGGPDAKINFINRDSSSGSYSSIKDLLLNKIFKTHEEAQFRQDGIVVKSNGEVIEKTSLTPHSIGYIGLGYAKNSIEKGLNILSVNSTYPTKETINSNKYTIKRNLIIVTN--YEDKSVTQFIDFMTSSTGQD-IVEEQGFLGIK-------------------

General information: TITO was launched using: RESULT: Template: 4N13.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 : 1187 59137 49.82 251.64 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 49.82 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_4N13.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N13-query.scw PDB file : Tito_Scwrl_4N13.pdb: