Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVLPPKINVPATPALDGVDINSLYDVNHGKLLGKGGFSEVLAVRHIPSGEIRALKVMMRSSLVGKKAEMVAHEKEILRRTCHPAIITLHEAVQTPDKVYFALDLMNE-DLFEFIVRNKTVNEDLSRAIMHQLMSGIAYLHEQSIVHRDIKPENILINVVVKSEANNAANDDSESATRVEGLQVMSDINSIPLEKLNVEVKIADFGLA-KVVMEWDVCSTPCGTSFYIAPEVIRGIEEQGAKPLCTNQRLVKSVDVWSAGVVFYVLLCGRPPFHGQVRTGQDRRDLLRRIDHGVLFNPNHGWDSISAEAKNLILKMLDQESSKRITSDEVLRHPFFTAHGYSRPVPASDARRRFM--QMQQLSLRTKVPAAQSAEAQVKTMSPLSGPDGQQIKVSSSGGGSSSKGSSNSTGSFLSSIKDFFGHRSKHTSDISKEERQRMHAELAELQATVIAEEDQEGDVTSYKPSMPVKEAKPARTAVMNMKAKVGPDALRK 5U6Y Chain:A ((8-331)) --------------------------------LGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQKLEREARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRDLKPENLLL------------------ASKLKG----------------AAVKLADFGLAIEVEGEQQAWFGFAGTPGYLSPEVLR--KDPYGKP----------VDLWACGVILYILLVGYPPF-----WDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWIS----HRSTVASCMHRQETVDCLKKFNARRKLKG-----AILTTMLATRNFSG-----GKSGGNKKSDGVKESSESTNTTIED--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5U6Y.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 : 1437 -29544 -20.56 -92.91 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -20.56 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_5U6Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U6Y-query.scw PDB file : Tito_Scwrl_5U6Y.pdb: