Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDLFLNRKSFVVKSLAITVTALMMSGANAATSDKEEIRKLRQEVEALKALVQEQRQVQQQQQQVQQQQQVQLAEVKAQPQPAAAPASPLASLKSKTGADVNLYGFVRGDANYIIEGADNDFADVSKSNGKTQDKLRATAKTTRLGLDFTAPV-SGAKVGGKIELDFASSDND--KSENVRIRHAYLTYN-----NWLFGQTTSNFLS-SHAPEMID-FSTN--------IGGGTTRIPQVRYNYK-LA---PATQLFVSAEEGNSSATGDSVKYRLPVLTAKVTQGYADGNGNASARAFVENYKSG------AGDDKTGWGIAAGTDFKVSDPLKLFADASYVVGNSNYLYGSNSAYTLVNDNIEQNEFVAVQVGGTYKILPNLRSTLAYGAQFADDGTDYAKNNVTANEKVQQAWINFIYTPVKPIDLGVEYVNGKRDTFE---GKSYKDNRVGLMAKYSF 3NSG Chain:B ((6-341)) -----------------------------------------------------------------------------------------------KDGNKLDLYGKAVGRHVWTTTGDS----------------KNADQTYAQIGFKGETQINTDLTGFGQWEYRTKADRAEGEQQNSNLVRLAFAGLKYAEVGSIDYGRNYGIVYDVESYTDMAPYFSGETWGGAYTDNYMTSRAGGLLTYRNSDFFGLVDGLSFGIQYQGKNQDNH-SINSQNGDGVGYTMAYEF--DGFGVTAAYSNSKRTNDQQDRDGNGDRAESRAVG--AKYDAN-NVYLAAVYAETRNMSIVENTVT------DTVEMANKTQNLEVVAQYQFDFGLRPAISYVQSKGKQLNGAG----GSADLAKYIQAGATYYFNKNMNVWVDYRFNLLDENDYSSSYVGTDDQAAVGITYQF

General information: TITO was launched using: RESULT: Template: 3NSG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1610 85425 53.06 280.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 53.06 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.122

(partial model without unconserved sides chains): PDB file : Tito_3NSG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NSG-query.scw PDB file : Tito_Scwrl_3NSG.pdb: