Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEGVGLPLWLLAELTYRCLLQCPYCSNPLDYAQHKNELTTQEWFDVFDQARQMGAVQLGFSGGEPLVRQD---LEQLVAHAHQL--GFYTNLVTSGMGLTEQRISHLKQAGLDHIQISFQASDPVLNDALAGSK---HAFEQKYEMCRLVKKYDYPMVLNFVIHRHNIDQIDKIIELCLELNADTVELAICQFY-GWAFLNRQ-----GLLPTQEQLIRAERITNEYREKLKAQNHPCKLIFVVPDYYEERPKACMNGWGKIFFTVAPDGMALPCHAARQLPISFPNVREQSLSRIWYESTGFNRFRGDAWMPEGCRSCPDKDRDFGGCRCQAYMLTGDASNADPVCGKSPYHQFIEQARAESEIDSSLEKLVFRNSRNSKQFTVQQNIPVQNIVDD 5VSM Chain:A ((30-291)) --------VSVNYHFTRQCNYKCGFCFHTAKT---SFVLPLEEAKRGLLLLKQAGLEKINFSGGEPFLQDRGEYLGKLVRFCKEELALPSVSIVSNGSLIRERWFKDY-GEYLDILAISCDSFDEQVNALIGRGQGKKNHVENLQKLRRWCRDYKVAFKINSVINRFNVDE--DMNEHIKALSPVRWKVFQCLLIEGENSGEDALREAERFLISNEEFETFL-------ERHKE----------VSCLV--PESNQK--MKDSYLILDEYMRFLNCT------DPSKSILDVGVEEAIK---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VSM.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 : 1303 -35920 -27.57 -147.21 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -27.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_5VSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VSM-query.scw PDB file : Tito_Scwrl_5VSM.pdb: