Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNKQRWMGGVVLLGGGVLLAALLLKGNEEIKQVDVQPQTSTSPKLQAKPKQSAQEGQMVQLQPLAV----DVETEKRLLEEQRRSREKAVAEQEARAAEFLAMQQQAEAD--AARKAAAEYAAINARRAAAQESSDNIPPEVAGSENK---AKGQQTDTKKSVDLAKADAD------KKAAEAKRLAEADKKAAEAKRQAE-----ADKKAAEAKRQ-AEADKKAAEAKRQAEADKKAAEAKRKAEAEKKAEAEKARELLENGDKKWMVQVALAANQANADAVVSKLRAKGYKVTTSPTSKGIRIMVGPAKDRDTADTTRKKITSDASLNMKSAWVIDWVPLDQRKSD 3FPP Chain:A ((43-233)) --------------------------------PGDLQQSVLATGKLDALRKVDVGAQVSGQLKTLSVAIGDKVKKDQLLGVIDPEQAENQIKEVEATLMELRAQRQQAEAELKLARVTYSRQQRLAQTQAVSQQDLDNAATEMAVKQAQIGTIDAQIKRNQASLDTAKTNLDYTRIVAPMAGEVTQITTLQGQTVIAAQQAPNILTLADMSAMLVKAQVSEAD------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FPP.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 : 445 63356 142.37 372.68 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 142.37 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_3FPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FPP-query.scw PDB file : Tito_Scwrl_3FPP.pdb: