Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIKWLSGQPKVTSGVTWGMPWKKGELKKGDRLALMNENAETRYVQSEPSAYWPDGSIKWTKHAAVFGGQENQSFTVHKREVPQPTESLSILETEHDIQVDTGALVCTIHKTGSDFIQSLQINGKPIAAGGRLVAIRETRKESAAKMVLLHERSVSFIKRAAIEQSGPVKAVVKIEGVHVLHKTYEEWLPFVIRLTFYAGLSEIGLVHTQLIDRSGKLEFVKGLGIEFDLFLEGEPYNRHFRFAGEKGMYKEPAQLFGTRKFNERYPLYEKQINGEMLSPDEEHKEWFAHGTQNAVWDDVKIVQDSSDHYSLSKRTGKDYAWVGMLHGSRAKGLCYAGGKNGGV-------ALGLRYFFEKYP-SALEITGLAGSRPKMTIWLWPP-DGEAMDLRHYTGNTHVASAYEGFDEMRSDPTG--IANTNEISLAC-FSHMPSDEVLNALADKWQAPPLIVCEPDVYYESKALG-VWSIIDTSHPLKKELEEQLDAAFLFYKKEVEQRRW---------------YGFWHYGDVMHTYDPIRHM-WRYDLGGYAWQNNELVP-TLWLWQ--------AFFRSGREDIFRMAEAMTRHTSETDSFHLGEYAGLGSRHNVVHWGCGCKEAR-ISMAGLHKFYYYLTGDDRTGDLLTEV-----KDADYALVKTDPMRAFYEKGKHPTHARTGP-----DWA--AFCSNWLAEWERTENSEYLKKIE------------TGINCLKRLPLRLLSGPTFEY---------------DPATSMLHHMGDGIAGGYHMIIAFGAPQVWMELAELLDDWEWEDMLSEFGEFYTLSDEEKRKKSGGALHDGHFHWPMFAAGMTAYAARKKQDPHLAAKAWNLLLEDKLSHTPLPI--KPERIETWTQLEELPWVTTNTVSQWCLNVIAALELIGDSLPAKKETSGKKG 5CD6 Chain:A ((2-580)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QTTGVVCEEFDQIQLTHVLTPTGPLPTALDPNGVYPYMSYSETSNRPVPKRYRMISLE-------NEKVKAIICPDLCGKVISLTHKESGKEVLYRPDVIKYTRILPRFYFVAGGIEVSFPISHSPTQNEPVLYQIDHTGDRTYVTCGERESHY-----GMQWSVEYSLG----DKDECLTQRVVYYNPGKQAYPWMSWSNAALPCAPDTQYDFPN-GTVLSHASTLDTIDWKTE-GTH--HERDIKEMTGYFWKTKDVNAFGAYTPSLGSGLYHIAD-----ESSTPGIKLWSY-GVA----------GDKEWSMLSTPDRQPYVEIQGGPISDQSIKLELRPGEKKNHVEYWIPTDHPLDIYSLKVPALRLRPIDRIPLFDWARKNESSIWIALADAYKNKSTLPAAPYPEDGQWAPSGMEDLDDAFRWAIQISPRPERDYWQFHYGTWLAGRERVEEAIEQLSIPDIDLAKALLARLYVR-RQAWEKARDTYAAIPETSWLNLHPQLVIERDKVLKKFGTEALPEREKWLDKINASSDEWVVERKVQLLIDKKQYQEAKDLLLSTHFQKVHQTYTRTGLWEQINEGLGLSPQPVP----------EQLGEDRLARFEYE----

General information: TITO was launched using: RESULT: Template: 5CD6.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 : 2380 -87706 -36.85 -177.18 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -36.85 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_5CD6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CD6-query.scw PDB file : Tito_Scwrl_5CD6.pdb: