Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGKIGSLVKNCLNKFSFTKLRRNFIMPVVSGAEFLKAARKGGYAVGGFNTNNLEWTQAILEAAEAKQAPVLIQTSMGAAKYMGGYKICKDLITDLVEAMNITVPVAIHLDHGD-YEAALECIELGYTSVMFDGSHLPFEENLKLAKDVVEKAHAKGISVECEVGSIGGEEDGIIG-NGELADIEECKQM-VATGIDYLACGIGNIHGQYPENWKGLAFDHLQAIADAVGPDMPLVLHGGSGIPQDQIEKAISMGISKVNVNTEFQLSFAAATRKYIERW 3Q94 Chain:A ((4-252)) --------------------------MPLVSMKEMLNKALEGKYAVGQFNMNNLEWTQAILAAAEEEKSPVILGVSEGAARHMTGFKTVVAMVKALIEEMNITVPVAIHLDHGSSFEKCKEAIDAGFTSVMIDASHHPFEENVETTKKVVEYAHARNVSVEAELGTVGGQEDDVIAEGVIYADPAECKHLVEATGIDCLAPALGSVHGPYKG-EPNLGFAEMEQVRDFT--GVPLVLHGGTGIPTADIEKAISLGTSKINVNTENQIEFTKAVREVLN--

General information: TITO was launched using: RESULT: Template: 3Q94.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 : 1413 -66017 -46.72 -268.36 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -46.72 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.685

(partial model without unconserved sides chains): PDB file : Tito_3Q94.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q94-query.scw PDB file : Tito_Scwrl_3Q94.pdb: