Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISYEKTDMNHGTFPVFDGHNDVLTRLWLSDHNNPAQAFIQEGLAGHLDLKRCQQAGFVGGMFAIFLPPFHYVKQHHPNKLFDQDASDFTQQQIEHICLAQLDLAKQLAEYSNDIQICTTVQDIQHCLTQQKLAIILHMEGAEALQHNPDLLDVFYDAGLRSIGPLWNRPSRFGHGLNAKFPHSPDTGAGLTNEGKAFIKRCADKKMVIDVSHMNERAFWDTANILQQP--IVATHSNVHALCPQARNLTDNQLKAIKDSKGIVGLNFDVAFLRKDGQRDANTSIEVLLEHLEYLIDQMGENHVGFGSDFDGALISH--EIEDVRGLHLLIEAMQKRHYSNEIIEKICFSNWLTVLNRILDK 3NEH Chain:B ((95-310)) -------------------------------------------------------------------------------------------------------------------------------LPEDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGI------MEERGAGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWET---LEQAEFVIASHSNAKAICSHPRNLDDEQIKAMIEHDAMIHVVFYPLFTTNNGVADT----EDVIRHIDHICELGGLKNIGFGSDFDG-IPDHVKGLEHVGKYQSFLETLEK-HYTKEEIEGFASRNFLNHLPK----

General information: TITO was launched using: RESULT: Template: 3NEH.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 : 1104 -24786 -22.45 -116.91 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -22.45 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_3NEH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NEH-query.scw PDB file : Tito_Scwrl_3NEH.pdb: