Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKLKGGNIMKKWLLLLIGMGILFTGCTSENTRTKATIETDTTIETKKSKTQSTEQTTTEMKQSVETSASSITESSSEEVKNTLWDTNKASKLETFVT-QWGKTLGQEYKSYNLQNNVSLYGTPLPQAVINGDWKMAINEAPVTVQWSEDGTGHADFNLVAVYSDVETGEYLGQHVYFFGFQNGQPKVYLTQQNQGNENNYLYFNETQNQQLKQGFSDIVNGQTPQTPVVEESTQQATTTTTQSTSSSGISSWEAAKESVLNNKALWLYDSPDKNVSNTNLISTNEYMKDLMQDENGSYYSIN------IVTDDDGNTTMAGGKQFRVYTDGRISQRIGMTNNFQMIK 1S3I Chain:A ((1-307)) -------------MKIAVIGQSLFGQEVYCQLRKEGHEVVGVFTIPDKDGKADPDGLEAEKDGVPVFKFPRW---RARGQALPEVVAKYQALGAELNVLPFCSQFIPMEVINAPRHGSIIYHPSLLPRHRGASAINWTLI----------HGDKKGGFTIFWADDGLDTGDLLLQKECEVLPDDTVSTLYNR-----------FLFPEGIKGMVQAVRLIAEGTAPRCP---QSEEGATYEGIQKKETAKINWDQPAEAIHNWIRGNDKVPGAWTEACGQKLTFFNSTLNTSGLSTQGEALPIPGAHRPGVVTKAGLILFGNDDRMLLVKNIQLEDGKMMPASQFFK--

General information: TITO was launched using: RESULT: Template: 1S3I.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 : 1633 19593 12.00 65.31 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 12.00 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_1S3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1S3I-query.scw PDB file : Tito_Scwrl_1S3I.pdb: