Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSINYDELMQPVLAFLGCQTPKEWLDEAVNNLDILMQDHA---NCEKKAAGTAMNLMFRYSFFTDLQVKLAQLVREEMLHYEQVLEFMTKRGQEWKGLSA---GRYA-GGLRKEIRT-----------YEPEALIDVLVIGAFVEARSCERFYALAPCV-DDELGRYYRYLLKSESRHFEDYLALALDVAKTAKMKDPEEDIQQRIEHIREVEKNLILTPDDTFRFHSGIPA 4R42 Chain:B ((21-183)) --------------------------------FAQLLLEQFGGATGELSAALQYWVQSFHVEN-AGIKDMLQDIAIEEFSHLEMVGKLIEAHTKNVDQTEAYKSTLFAVRGMGPHFLDSQGNAWTASYLNEGGDVVRDLRANIAAEAGARQTYEELIKLSPDEGTKQTLVHLLTREISHTQMFMKALDSL-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R42.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 563 -3527 -6.26 -25.55 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -6.26 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_4R42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R42-query.scw PDB file : Tito_Scwrl_4R42.pdb: