Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQTELKNWLQTVYPER-DFDLSFAAADADFRRYFRAAFSDGGSVVCMDAPPDKMSVAPYLKVQKLFDMV--NVPQVLHADT--------DLGFVVLNDLGNTTFLTAMLQEQGEAAHKALLLEAIGELVGLQKASREGVLPEYDRETMLREINLFPEWFVAKELGRELTFKQRQLWQQTADTLLPPLL-AQPKVYVHRDFIVRNLMLTR-GRPGVLDFQDALYGPISYDLVSLLRDAFIE----WEEEFVLDLVIRYWEKARAAGLPVPAEFDEFYRRFEWMGVQRHLKVAGIFARLYYRDGKDKYRPEIPRFLNYLRRVSRRYAELAPLYALLVELVGDEELETGFTF 2PPQ Chain:A ((10-255)) ----DELRNFLTQ-YDVGSLTSYKGIAE---NS-NFLLHTT-KDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP---------EAKHCREVGKALAAMHLASEGFEIKRPNALSV-DGWKVLWDKSEERA-D-EVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVR----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 890 -40490 -45.49 -181.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -45.49 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.260

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: