Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQQALNHITKNIHLTQPQMEEIMRSIMQGEATEAQIGALMMGLRMKGESIDEMTAAARVMREFAIKIDVSDIKHLVDIVGTGGDGQNLFNVSTASSFVIAAAGATIAKHGNRGVSSKSGSSDLLEQAGIHLDLDMQQTERCIREMGVGFLFAPNHHKAMKYAAGPRRELGIRSIFNLLGPLTNPAGVKRFVIGVFSDELCRPIAEVMKQLGAEHVMVVHSKDGLDEISLAAPTTIAELKDGEITEWTLNPEDVGIESQTLNGLVVADATAS-LKLIKDALSKNKSDIGEKAANMIALNAGAGIYVAGITKTYAQAVVFAQDIIYGGQTLEKMSVLAEFTKTLKQSQAD 2GVQ Chain:D ((1-324)) MNINEILKKLINKSDLEINEAEELAKAIIRGEVPEILVSAILVALRMKGESKNEIVGFARAMRELAIKIDVPN---AIDTAGTGGDGLGTVNVSTASAILLSLVNP-VAKHGNRAVSGKSGSADVLEALGYNIIVPPERAKELVNKTNFVFLFAQYYHPAMKNVANVRKTLGIRTIFNILGPLTNPANAKYQLMGVFSKDHLDLLSKSAYELDFNKIILVYGEPGIDEVSPIGNTFMKIVSKRGIEEVKLNVTDFGISPIPIEKLIVNSAEDSAIKIVRAFLGKD-----EHVAEFIKINTAVALFALDRVGDFREGYEYADHLI--EKSLDKLN---------------

General information: TITO was launched using: RESULT: Template: 2GVQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1906 -208783 -109.54 -646.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -109.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_2GVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GVQ-query.scw PDB file : Tito_Scwrl_2GVQ.pdb: