Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDYLVIVESPAKAKTIERYLGKKYKVKASMGHVRDLPKSQ--------------MGVDIEQNFEPKYITIRGKGPVLKELKTAAKKAKKVYLAADPDREGEAIAWHLAHSLDLDLNSDCRVVFNEITKDAIKESFKHPRMINMDLVDAQQARRILDRLVGYKISPILWKKVKKGLSAGRVQSVALRLIIDREKEINDFKPEEYWTIDGTFLKGQ-------ETFEASFFGKNG------------------KKLPLNSEADVKEILSQLKGNQYTVEKVTKKERKRNPALPFTTSTLQQEAARKLNFRAKKTMMIAQQLYEGIDLGREGTVGLITYMRTDSTRISNTAVDEAAAFIDQTYGKEFLGG-KRKPAKKNENAQDAHEAIRPTSVL-RKPSELK---AVLGRDQMRLYKLIWERFVASQMAPAVLDTMSVDLTNN----GLTFRANGSKVKFSGFMKVYVEGKDDQ----MEEKDRMLPDLQEGDTVLSKDIEPEQHFTQPPPRYTEARLVKTLEERGIGRPSTYAPTLDTIQRRGYVALDNKRFVPTELGQIVLDLIMEFFPEIINVEFTAKMERDLDHVEEGNTEWVKIIDNFYTDFEKRVKKAESEMK---E---VE---IE----PEYAGEDCELCSSPMVYKMGRYGKFLACSNFPDCRNTKPIVKQIGVKCPSCGEGNIVERKSKKKRVFYGCDRYPDCEFVSWDKPIERKCPKCGKMLVEKKLKKGIQVQCVECDYKEEPQK 5D5H Chain:A ((19-676)) -GRRLVIVESPTKARKLASYLGSGYIVESSRGHIRDLPRAASDVPAKYKSQPWARLGVNVDADFEPLYIISPEKRSTVSELRGLLKDVDELYLATDGDREGEAIAWHLLETLKPR-IPVKRMVFHEITEPAIRAAAEHPRDLDIDLVDAQETRRILDRLYGYEVSPVLWKKVAPKLSAGRVQSVATRIIVARERDRMAFRSAAYWDILAKLDASVSDPDAAPPTFSARLTAVAGRRVATGRDFDSLGTLRKGDEVIVLDEGSATALAAGLDGTQLTVASAEEKPYARRPYPPFMTSTLQQEASRKLRFSAERTMSIAQRLYE---------NGYITYMRTDSTTLSESAINAARTQARQLYGDEYVAPAPRQYTRKVKNAQEAHEAIRPAGETFATPDAVRRELDGPNIDDFRLYELIWQRTVASQMADARGMTLSLRITGMSGHQEVVFSATGRTLTFPGFLKAYVETVDELVGGEADDAERRLPHLTPGQRLDIVELTPDGHATNPPARYTEASLVKALEELGIGRPSTYSSIIKTIQDRGYVHKKGSALVPSWVAFAVTGLLEQHFGRLVDYDFTAAMEDELDEIAAGNERRTNWLNNFYFGGDHGVPDSVARSGGLKKLVGINLEGIDAREVNSIKL-FDDTHGRPIYVRVGKNGPYLERLVAGDT--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5D5H.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 : 3046 -158498 -52.03 -267.28 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -52.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_5D5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5D5H-query.scw PDB file : Tito_Scwrl_5D5H.pdb: