Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVLPPKINVPATPALDGVDINSLYDVNHGKLLGKGGFSEVLAVRHIPSGEIRALKVMMRSSLV------GKKAEMVAHEKEILRRT-CHPAIITLHEAVQTPDKVYFALDLMN-EDLFEFIVRNKTVNEDLSRAIMHQLMSGIAYLHEQSIVHRDIKPENILINVVVKSEANNAANDDSESATRVEGLQVMSDINSIPLEKLNVEVKIADFGLAKVVMEWDVCSTPCGTSFYIAPEVIRGIEEQGAKPLCTNQRLVKSVDVWSAGVVFYVLLCGRPPFHGQVRTGQDRRDLLRRIDHGVLFNPNHGWDSISAEAKNLILKMLDQESSKRITSDEVLRHPFFTAHGYSRPVPASDARRRFMQMQQLSLRTKVPAAQSAEAQVKTMSPLSGPDGQQIKVSSSGGGSSSKGSSNSTGSFLSSIKDFFGHRSKHTSDISKEERQRMHAELAELQATVIAEEDQEGDVTSYKPSMPVKEAKPARTAVMNMKAKVGPDALRK 2Y7J Chain:C ((92-364)) --------------------FYQKYDP--KDVIGRGVSSVVRRCVHRATGHEFAVKIMEVTAERLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESSSFMFLVFDLMRKGELFDYLTEKVALSEKETRSIMRSLLEAVSFLHANNIVHRDLKPENILLDD-------------------------------------NMQIRLSDFGFSCHLEPGEKLRELCGTPGYLAPEILKCSMDE------THPGYGKEVDLWACGVILFTLLAGSPPFWHRRQI-----LMLRMIMEGQYQFSSPEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFE----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Y7J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1243 -19908 -16.02 -75.12 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -16.02 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_2Y7J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y7J-query.scw PDB file : Tito_Scwrl_2Y7J.pdb: