Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQIDLNCDLGESFGAYKIGLDQDILEYVTSANIACGFH-AGDPSVMRKTVALAAERGVKMGAHPGL-PDLLGFGRRNMAISPEEAYDLVVYQIGALSGFLKAEGLHMQHVKPHGALYNMAAVDQKLSDAIAKAVYKVDPGLILFGLAESELVKAGERIGLQTANEVFADRTYQSDGTLTPRSQPDALIESDDAAVTQVIKMVKEGAVKSQQGHDVSLKADTVCIHGDGAHALTFAQKIRKQLKAAGIEVTAISEQRST 2NLY Chain:A ((3-226)) MKRAAIIID--------DFGGDVKGVDDFLTGEIPVTVAVMPFLEHSTKQAEIAQAAGLEVIVHMPLEPKPSGITSNLSVGEVKSRVRKAFDDIPYAVGLNNHMGSKIVE--------NEKIMRAILEVVKEKNAFIIDSGTS----PHSLIPQLAEELEV-------------------PYATRSIFLDNTHSSRKEVIKNMRKLAKKAKQGSEPIGIGH---VGVRGDETYAGIRSMLDEFQAESIQLVPVSQLLP-

General information: TITO was launched using: RESULT: Template: 2NLY.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 : 1214 -99568 -82.02 -465.27 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -82.02 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_2NLY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NLY-query.scw PDB file : Tito_Scwrl_2NLY.pdb: