Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQKDMYVLGIETSCDETAAAIV-KNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVED---IVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKG-NDNI-------------PLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPE----DLSASFQNSVIDVLVTK-----TARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLV---IPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR 3WUH Chain:B ((7-363)) ----KGYKVLAIETSCDDTCVSVLDRFSKSAAPNVLANLKDTL---------KAHIHHQARIGPLTERALIESN-AREGIDLICVTRGPGMPGSLSGGLDFAKGLAVAWNKPLIGVHHMLGHLLIPRMGTNGKVPQFPFVSLLVSGGHTTFVLSRAIDDHEILCDTIDIAVGDSLDKCGRELGF---KGTMIAREMEKFINQDINDQDFALKLEMPS-------KRNMLSFSFSAFITALRTNLTKLGKTEIQELPEREIRSIAYQVQESVFDHIINKLKHVLKSQPEKFKNVREFVCSGGVSSNQRLRTKLETEL--------FNFYYPPMDLCSDNSIMIGWAG-IEIWESLRLVSDLDICP------------

General information: TITO was launched using: RESULT: Template: 3WUH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1594 -178054 -111.70 -591.54 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -111.70 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3WUH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WUH-query.scw PDB file : Tito_Scwrl_3WUH.pdb: