Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKATQSKAWTTVQIARHPERPQ-FLDYVGEIFTE--FDALHGDRLFGDDGAMVGGLARFDGQPVMVIGQHRGRSTREKLKHNFGMCNPEGYRKSQRLLDMAERFNLPVFTFIDTMGAYPGVGAEERGQAEAIATSLAQLSSLKVPVIATVLGEGGSGGALGIG----VADRVIMLSHSIYSVISPEGCASILWKTAEKAA---------QASEA--LGLTADKLQSLGIVEYVVDEGEGAHLDPERVMQNLKVVLKQALDELLPMDANERCEARYQRLMKFGSENLGMAS 1ON3 Chain:E ((284-509)) ----------------IDGKKGYDVRDVIAKIVDWGDYLEVKAG--YA--TNLVTAFARVNGRSVGIVANQP--------SVMSGCLDINASDKAAEFVNFCDSFNIPLVQLVDVPGFLPGVQQEYGGIIRHGAKMLYAYSEATVPKITVVLRKAYGGSYLAMCNRDLGADAVYAWPSAEIAVMGAEGAANVIFRKEIKAADDPDAMRAEKIEEYQNAFNTPYVAAARGQVDDVID-P-----------ADTRRKIASALEMYATK-------------------------

General information: TITO was launched using: RESULT: Template: 1ON3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1074 -12254 -11.41 -58.91 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.73 3D Compatibility (PKB) : -11.41 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.542

(partial model without unconserved sides chains): PDB file : Tito_1ON3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ON3-query.scw PDB file : Tito_Scwrl_1ON3.pdb: