Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKHIVILGAGYGGVLSALTVRKHYTKEQARVTVVNKYPTHQIITELHRLAAGNVSEKAVAMPLEKLFKGKDIDLKIAEVSSFSVDKKEVALADGSTLTYDALVVGLGSVTAYFGIPGLEENSMVLKSAADANKVFQHVEDRVREY--SKTKNEADATILIGGGGLTGVELVGELADIMPNLAKKYGVDHKEIKLKLVEAGPKILPVLPDDLIERATASLEKRGVEFLTGLPV--TNVEGNVIDLKDGSK--VVANTFVWTGGVQGNPLVGESGLEVNRGRATVNDFLQSTSHEDVFVAGDSAVYFGPDG--RPYPPTAQIAWQMGELIGYNLFAYLEGKTLETFKPVNSGTLASLGRKDAVAIIGANSTPLKGLPASLMKEASNVRYLTHIKGLFSLAY 4XDB Chain:C ((12-399)) --KKVLVLGAGYAGLQTVTKLQKAISTEEAEITLINKNEYHYEATWLHEASAGTLNYEDVLYPVESVLKKDKVNFVQAEVTKIDRDAKKVETNQG-IYDFDILVVALGFVSETFGIEGMKDHAFQIENVITARELSRHIEDKFANYAASKEKDDNDLSILVGGAGFTGVEFLGELTDRIPELCSKYGVDQNKVKITCVEAAPKMLPMFSEELVNHAVSYLEDRGVEFKIATPIVACNEKGFVVEV-DGEKQQLNAGTSVWAAGVRGSKLMEESFEGVKRGRIVTKQDLTINGYDNIFVIGDCSAFI-PAGEERPLPTTAQIAMQQGESVAKNIKRILNGESTEEFEYVDRGTVCSLGSHDGVGMVFGK--PIAGKKAAFMKKVIDTRAVFKIGGI-----

General information: TITO was launched using: RESULT: Template: 4XDB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2217 -237799 -107.26 -625.79 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -107.26 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_4XDB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XDB-query.scw PDB file : Tito_Scwrl_4XDB.pdb: