Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLQINEESLPVYEALASKTRIKIIQLLS-KKKMNVKDLAKELGVSSAITTMHVKKLEEANIIKTEKVGQQKISSLRVDKIDISFPEKIFNAFDTKETSIPIGHYTNYAIEPTCGLATIHDFIGKVDEPRYFMDPRRMDARILWFTSGFVEYQAPNFLNTEDTLEMLEVSVEISSEFPFSNDNWPSDITFSLNGVELGTWTSPGDFADIRGKYTPDWYPDNLNQYGLLKTIRITKHLTNMNGEPLSNITINDIPKEQDTWHLRIEVKDDAKHVGGCTLFGKGFGNYDQDIKLKVYYS 3F72 Chain:B ((27-111)) ---VDISGVSQILKAIADENRAKITYALCQDEELCVCDIANILGVTIANASHHLRTLYKQGVVNFRKEGKLALYSLGGEAIRQIMMIA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3F72.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 : 300 -10142 -33.81 -120.73 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -33.81 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_3F72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F72-query.scw PDB file : Tito_Scwrl_3F72.pdb: