Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQIDLNCDLGESFGAYKIGLDQDILEYVTSANIACGFHA-GDPSVMRKTVALAAERGVKMGAHP-----GLPDLLGFGR--RNMAISPEEAYDLVVYQIGALSGFLKAEGLHMQHVKPHGALYNMAAVDQKLSDAIAKAVYKVDPGLILFGLAES---ELVKAGERIGLQTANEVFADRTYQSDGTLTPRSQPDALIESDDAAVTQVIKMVKEGAVKSQQGHDVSLKADTVCIHGD--GAHALTFAQKIRKQLKAAGIEVTAISEQRST 2NLY Chain:A ((17-223)) ----------------------VKGVDDFLTGEIPVTVAVMPFLEHSTKQAEIAQAAGLEVIVHMPLEPK---------PSGITSNLSVGEVKSRVRKAFDDIPYAV---GL-----NNH--MGSKIVENEKIMRAILEVVKEKN--AFIIDSGTSPHSLIPQLAEELEVPYAT-RSIFLDNTHS--------------SRKEVIKNMRKLAKKA--K-QGSEPI------GIGHVGVRGDETYAGIRSMLDEFQAESIQLVPVSQ----

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 : 874 -114217 -130.68 -614.07 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -130.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.479

(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: