Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETY-DGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVL---------KGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEEL-------FAH-------VEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR 1BXK Chain:B ((5-335)) -----LITGGAGFIGSALVRYIINETSDAVVVVDKLTYAGNLMSLAPVAQSERFAFEKVDICDRAELARVFTEHQPDCVMHLAAESHVDRSIDGPAAFIETNIVGTYTLLEAARAYWNALTEDKKSAFRFHHISTDEVYGDLHSTDDFFTETTPYAPSSPYSASKASSDHLVRAWLRTYGLPTLITNCSNNYGPYHFPEKLIPLMILNALAGKSLPVYGNGQQIRDWLYVEDHARALYCVATTGKVGETYNIGGHNERKNLDVVETICELL--EELAPNKPHGVAHYRDLITFVA------LRYAIDASKIARELGCVPQETFESGMRKTVQWYLANE-

General information: TITO was launched using: RESULT: Template: 1BXK.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 : 1576 -35542 -22.55 -118.08 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -22.55 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1BXK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BXK-query.scw PDB file : Tito_Scwrl_1BXK.pdb: