Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METTDTLLQLLQEAHKTNQAQQQTIQNLTTEIQLLNEKVNYLTNKLFGRSKETLFEETNGQLNLFSDEEISVSVPEAAATIIPVKGHQRVVGTKADKIKHLPITEKEHLLPLEEQFCEHCGSQMKDIGRTKVREEIRFHQAMLDCLTHYQHTYCCKSCEKEGLSSFKKAIVPKPLISNSLGSNSLVAETIRMKFGQKVPAYRQENYWKQTHGLDISRDNITNWHIKAVQNALDPLGERLRVNNNQEEILHGDETSYRVIESAKTDTYYWQFCTGKDSQHPIVYYHHDESRAGDVPKTFLKEFTGYLHCDGYSGYNAVESVRLVYCFAHVRRKFFEAIPKEKKNTDIPAAQAVKQLDKWFVLEKKWKDFSPEKRLSCRQQELRPLFIAFYEWMATIDPVAKSKLDAAVQYACKLRSGFEPIFE--DGRLELTNNRAERNIKELVIGRKNWLHSTSLEGARTSGIILSVYKTAELNGLNPVKYLEFLFDKIPNLPVLSAETL--DQLLPWNKDVQQHFSRN 1OCK Chain:A ((1-412)) ---MISLADLQRRIETGELSPNAAIAQSHAAIEAREKEVHAFVRHDKSARAQA-----SGPLR---------GIAVGIKDIIDTANMPTEMGSEIYR-GWQPRSDAPVVMMLKRAGA-------TIIGKTTTTAFASRDPTATLNPHNTGHSP-------GGSSSGSAAAVGAGMIPLALGTQT-------------GGSVIRPAAYCGTAAIKPSFRMLPTVGVKCYSWALDTVGLFGA--------------------RAEDLARGLLAMTGRSEFSG---------------IVPAKAPRIGVVRQEFAGAVEPAAEQGLQAAIKAAERAGASVQAIDLPEAVHEAWRIHPIIQDFEAHRALAWEFSEHHDEIAPMLRASLDATV--------GLTPKEYDEARRIGRRGRRELGEVFEGVDVLLTYSAPGTAPAKALASTGDPRYNRLWTLMGNPCVNVPVLKV------------------GGLPIGVQVIARFGNDAHALATAWFLEDALAK-

General information: TITO was launched using: RESULT: Template: 1OCK.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 : 2779 -56964 -20.50 -139.62 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -20.50 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_1OCK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OCK-query.scw PDB file : Tito_Scwrl_1OCK.pdb: