Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMPRTIIEKIWDQHIVKHGEGKPDLLYIDLHLIHEVTSPQAFEGLRQKGRKVRRPQNTFATMDHNIPTVNRFEIKDEVAKRQVTALERNCEEF-----------GVRLADLHSVDQGIVHVVGPEL---------GLTLPGKTIVCGDSHTSTHGAFGALAFGIGTSEVEHVLSTQTLWQQRPKTLEVRVDGTLQKGVTAKDVILAVIGKYGVKFG-TGYVIEYTGEVFRNMTMDERMTVCNMSIEAGARAGLIAPDEVTFEYC-------KNRKYTPKGEEFDKAVEEWKALRTDPGAVYDKSIVLDGNKISPMVTWGINP-------GMVLPVDSEVPAPESFSA-------EDDKKEAIRAYEYMGLTPHQKIEDIKVEHVFIGSCTNSRMTDLRQAADMI------KGKKVADSVRAIVVPGSQSVKLQAEKEGLDQIFLEAGFEWRESGCSMCLSMNNDVVPE--------GERCAS---TSNRNFEGRQGKGAR-THLVSPAMAAMAAIHGHFVDVRKFYQEKTVV 2B3X Chain:A ((123-563)) -------------------------------------------------------------IDHSI-QVDFNRRADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGS---GIIHQVNLEYLARVVFDQDGYYYP-DSLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLT-ITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPD--FTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFI--YDNTEFT----LAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIG-NSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAG---------------

General information: TITO was launched using: RESULT: Template: 2B3X.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 : 1817 26297 14.47 69.02 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 14.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_2B3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3X-query.scw PDB file : Tito_Scwrl_2B3X.pdb: