Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDWGVPTRNQAKYNFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMILASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLD---NREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPS-GHMGVVSGSQAPTSVWPEMSNWLAMRSD 1U2E Chain:A ((25-288)) --------------------------------------------------------------LRIHFNDCG------QGDETVVLLHGSGPGATGWAN--FSRNIDPLVEAGYRVILLDCPGWGKSDSVVNSGSRSD-LNARILKSVVDQLDIAKIHLLGNSMGGHSSVAFTLKWP-ERVGKLVLMGGGTGGMSLFTPMPTE--------GIKRL-------N--Q---LYRQPTIE----------NLKLMMDIFVFDTSDLTDALFE------ARLNNMLSR-RDHLENFVKSLEANP------KQFPDFGPRLAEIKAQTLIVWGRNDRFVPMDAGLRLLSGIA--GSELHIFRDCGHWAQWE---HADAFNQLVLNFLAR---

General information: TITO was launched using: RESULT: Template: 1U2E.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 : 1550 -115784 -74.70 -445.32 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -74.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_1U2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U2E-query.scw PDB file : Tito_Scwrl_1U2E.pdb: