Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MKTSDFVKYLQRMIAITDTGLTFTKDPFDRERYEDLRSLLSEMLNQVSDLDADEVAELLKPTSAYATPLMDVRAWIVEDE--KICLVRGQGEND-WALPGGFGEVGYSPTENILKEIEEETGFKAKVERLLAVFDTNRFQLQSKQYAKFVFECKLLDGQFQENQEIADLQFFAIDQLPNLSEKRITKEQIELLWQVYQGHRGQYLD------ 2A6T Chain:A ((1-245)) MSFTNATFSQVLDDLSARFILNLPAEEQSSVERLCFQIEQAHWFYEDFIRAQNDQLPSLGLRVFSAKLFAHCPLLWKW-HEEAFDDFLRYKTRIPVRGAIMLDMSMQQCVLVKGWKASSGWGFPKGKIDKDESDVDCAIREVYEETGFDCSS----RINPNEFIDMTIRGQNVRLYIIPGISLD--TRFEISKIEWHNLMDLPTFKMKNKFYMVIPFLAPLKKWIKKRNIANNTTKE

General information: TITO was launched using: RESULT: Template: 2A6T.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 : 780 18719 24.00 95.51 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 24.00 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_2A6T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A6T-query.scw PDB file : Tito_Scwrl_2A6T.pdb: