Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDLNKKREVNLSFEQDDGAVWV--FDGDSHQGTEISHLMMMHSDEYNEDELRVICNHAAFEIDRLRAELEKAKGQAVPDS-SHGVILTCEQLRDALEFSAPDLNIESNEFSDEQMGTELAIIYQESGHSGEGFYSYYVECPDEGSIKLGESESGAEG 4NN2 Chain:A ((4-127)) -----TRPKCGFCHVGEEENEARGKLHIFNAKKAAAHYKCMLFSSGTVQLTTTSRAEFGDFDIKTVLQEIKRGKRMKCTLCSQPGATIGCEIKACVKTYH-------------YHCGVQDKAKYIENMSRG----IYKLYCKNHSG------------

General information: TITO was launched using: RESULT: Template: 4NN2.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 : 598 4958 8.29 40.98 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 8.29 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.261

(partial model without unconserved sides chains): PDB file : Tito_4NN2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NN2-query.scw PDB file : Tito_Scwrl_4NN2.pdb: