Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLG--ILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKF--GDFFPGTGDVTDVGASQGKYYAVNVPLNDGMD----DDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTG--DRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI 4CBT Chain:C ((158-328)) --------------------------------------------------------------------------------------------------------------------------------------------HHAEESTPMGFCYFNSVAVAAKLLQQRL--SKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLS----ARCFGY---LTKQLMGLAGG-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CBT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 770 -31414 -40.80 -205.32 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -40.80 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_4CBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CBT-query.scw PDB file : Tito_Scwrl_4CBT.pdb: