Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRTANEFLTPQAIKVEAVSGTSAKVILEPLERGFGHTLGNALRRILLSSLPGAAVVEVEIEGVEHEYSTLEGLQQDIVELLLNLKGLSIKLFDQNEAYLTLEKQGPGDITAADLRLPHNVEVVNPEHLIGTLS-ATGSLKMRLKVSQGRGYETSDSRF-PEGETRPVGRLQLDASYSPIKRVSYTVENARVEQRTDLDKLVIDLETNGTVDPEEAIRKAATILQQQIAIFVDLQKDQTPVAQEPREEVDPILLRPVDDLELTVRSANCLKAENIYYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASKGLQLGMRLENWPPASLRMDDRFAYRSR 4S20 Chain:A ((6-232)) -----TEFLKPRLVDIEQVSSTHAKVTLEPLERGFGHTLGNALRRILLSSMPGCAVTEVEIDGVLHEYSTKEGVQEDILEILLNLKGLAVRVQGKDEVILTLNKSGIGPVTAADITHDGDVEIVKPQHVICHLTDENASISMRIKVQRGRGYVPASTRIHSEEDERPIGRLLVDACYSPVERIAYNVEAARVEQRTDLDKLVIEMETNGTIDPEEAIRRAATILAEQLEAFV---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4S20.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 : 994 -30555 -30.74 -135.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -30.74 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_4S20.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S20-query.scw PDB file : Tito_Scwrl_4S20.pdb: