Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTVHAKGNVLNKIGIPSHMVWGYIGVVIFMVGDGLEQGWLSPFLVDHGLSMQQSASLFTMYGIAVTISAWLSGTFVQTWGPRKTMTVGLLAFILGSAAFIGWAIPH--------------MYYPALLGSYALRGLGYPLFAYSFLVWVSYSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAVPAFGEINTLWSALLFVAAGGILALFFNKDKFTP------IQKQDQPKWKELSKAFT--IMFENPKVGIGGVVKTINA-IGQFGFAIFLPTYLARYGYSVSEWLQIWGTLFFVNIVFNIIFGAVGDKLG-WRNTVMWFGGVGCGIFTLALYYT---PQLIGHQYWVLMIIACCYGAALAGYVPLSALLPT-LAPDNKGAAMSVLNLGSGLCAFIAPGIV--SLFIGPLGAGGVIWIFAALYFFSAFLTRFLTISEQSTDVYTEERFVRENVQTNFDKTVKQ 4QIQ Chain:A ((7-470)) -----SYIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMTLATQAVQEIKHSLDRLLMFGVGVIVIGVMLSIFQQFVGINVVLYYAPEVFKTLGASTDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGIVALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSWLVAHFHNGFSYWIYGCMGVLAALFMW---------------KFVPETKGKTL------

General information: TITO was launched using: RESULT: Template: 4QIQ.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 : 1827 -243461 -133.26 -595.26 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -133.26 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_4QIQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QIQ-query.scw PDB file : Tito_Scwrl_4QIQ.pdb: