Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIKWLSGQPKVTSGVTWGMPWKKGELKKGDRLALMNENAETRYVQSEPSAYWPDGSIKWTKHAAVFGGQENQSFTVHKREVPQPTESLSILETEHDIQVDTGALVCTIHKTGSDFIQSLQINGKPIAAGGRLVAIRETRKESAAKMVLLHERSVSFIKRAAIEQSGPVKAVVKIEGVHVLHKTYEEWLPFVIRLTFYAGLSEIGLVHTQLIDRSGKLEFVKGLGIEFDLFLEGEPYNRHFRFAGEKGMYKEPAQLFGTRKFNERYPLYEKQINGEMLSPDEEHKEWFAHGTQNAVWDDVKIVQDSSDHYSLSKRTGKDYAWVGMLHGSRAKGLCYAGGKNGGVALGLRYFFEKYPSALEITGLAGSRPKMTIWLWPPDGEAMDLRHYTGNTHVASAYEGFDEMRSDPTGIANTNEISLACFSHMPSDEVLNALADKWQAPPLIVCEPDVYYESKALGVWSIIDTSHPLKKELEEQLDAAFLFYKKEVEQRRWYGFWHYGDVMHTYDPIRHMWRYDLGGYAWQNNELVPTLWLWQAFFRSGREDIFRMAEAMTRHTSETDSFHLGEYAGLGSRHNVVHWGCGCKEARISMAGLHKFYYYLTGDDRTGDLLTEVKDADYALVKTDPMRAFYEK-G-KH-PTHARTGPDWAAFCSNWLAEWERTENSEYLKKIETGINCLKRL---PLRLLSGPTFEYDPATSMLHHMGDGIAGGYHMII-----AFGAPQVWMELAELLDDWEWEDMLSEFGEFYTLSDEEKRKKSGGALHDGHFHWPMFAAGMTAYAARKKQDPHLAAKAWNLLLEDKLSHTPLPIKPERIETWTQLEELPWVTTNTVSQWCLNVIAALELIGDSLPAKKETSGKKG 3WIW Chain:A ((28-281)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDDWLKKSTKTAVIQLTRAAQTY------TPGMNPRSVNPD-GTVRL-APPRDWTTGF--FPGTLWYGYELSGDKNLAAEAKRFTLALDTI-QYV-------KDTHDL---G--F----MLYCSYG-NAYRVTGDKIYLKPLENGAANLY--ARFNKKVGAIRSWDFGHWQFPVII--DNLMNLEYLYWAGKEFNKPEWFDAAKTHAVTTMKNHFRKDYSSYHV-I-YDTLSGKVLQRE-TH-QGLTNESAWARGQAWGLYGYTMSYKDTKDKKFIEHAEHIAAFIMNH--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WIW.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 : 1141 -78540 -68.83 -324.54 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -68.83 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_3WIW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WIW-query.scw PDB file : Tito_Scwrl_3WIW.pdb: