Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------MKKKETAWMKRKQLLYTEERKWEYGTILIEDGICLIENGEGDILLADSLQHSPIWIHHKGKWEQAGFQD-----KLVLACGAENISLSGGERIRYEKSVKRPLMALLDSLDDETFLAFLQHLHSFGLSVFD-CVFSYNK-GVFSNTSAGQGVSFYHFSNDTAQCAMQHHYNYSSEGTGDRFEWTASNGKRSIMYTAVQRGRK---------------------------- 4GXB Chain:A ((4-280)) VPTEEVSLEVLLSNGQKVLVNVLTSDQTEDVLEAVAAKLDLPDDLIGYFSLFLVREKEDGAFSFVRK--LQEFELPYVSVTSLRSQEYKIVLRKSYWDSAYDDDVMENRVGLNLLYAQTVSDIERGWILVTKEQHRQLKSLQEKVSKKEFLRLAQTLRHYGYLRFDACVADFPEKDCPVVVSAGNSELSLQLREGSFRVTRMRCWRVTSSVPLPSGGRGEVRLELAFEYLMSKDRLQWVTITSPQAIMMSICLQSMVDELMVKKS

General information: TITO was launched using: RESULT: Template: 4GXB.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 : 673 -51546 -76.59 -267.08 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -76.59 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.115

(partial model without unconserved sides chains): PDB file : Tito_4GXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GXB-query.scw PDB file : Tito_Scwrl_4GXB.pdb: