Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKPFVFITKPIPEEIEAFIGE--HCRYEVWQED-TLPSDVLFEKLKEAEGLLTSGTSGPSINRELLEHA-PKLKVVSNQSVGYDNFDIEAMKERGVVGTHTPYTLDDTVADLAFSLILSSARRVAELDRFVRAGKWGTVEEEALFGIDVHHQTLGIIGMGRIGEQAARRAK-FGFDMEVLYHNRHRKQETEDSIGVKYAELDTLLEQSDFILLITPLTDETYHMIGEREFKLMKNSAIFVNISRGKTVDEKALIRALQEGWIRGAGLDVYEKEPVTQDNPLLQLDNVTLLPHIGSATAKVRFNMCKQAAENMLAAIQGQTPKNLTREFQ 2WWR Chain:A ((11-322)) -----VFVTRRIPAEGRVALARAADCEVEQWDSDEPIPAKELERGVAGAHGLLCLLSD--HVDKRILDAAGANLKVISTMSVGIDHLALDEIKKRGIRVGYTPDVLTDTTAELAVSLLLTTCRRLPEAIEEVKNGGWTSWKPLWLCGYGLTQSTVGIIGLGRIGQAIARRLKPFGVQ-RFLYTGRQPRPEEAAEFQAEFVSTPELAAQSDFIVVAC-------GLCNKDFFQKMKETAVFINISRGDVVNQDDLYQALASGKIAAAGLDVTSPEPLPTNHPLLTLKNCVILPHIGSATHRTRNTMSLLAANNLLAGLRGE----------

General information: TITO was launched using: RESULT: Template: 2WWR.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 : 1551 -24010 -15.48 -80.03 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -15.48 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.611

(partial model without unconserved sides chains): PDB file : Tito_2WWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WWR-query.scw PDB file : Tito_Scwrl_2WWR.pdb: