Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWNPNSIIFCFYFIFSILALWGIIEAWVHQSRTETIHPFKAFVHLLAFYLSYLLIPLWFFNLYAGWIGYYSIHETIFIFLLSGILIYARFIEPHMVRVDVHQYRLNPDRHFVKPVKVALIADLHIGLFSGH--------ERQLKIIVKKLNEQQPDLVVVAGDWTYEPED---KLVQELSVLKD---IKAPVYSVPGNHDEQYPGPPIQQLLKDALYYNDVMDIEG-KIVEFD--EFRLIGIGDLWAG--KTDMRSMPD----LPQDKPWLILSHNPDTVDM-------VPKLPNRPLMLSGHTHGGQVELPLVTNYIMKKVSILGHKRGFYSHEHADVFVTVGTGMVGIPLRFRVPPTIDIIELA 3AV0 Chain:A ((18-213)) ---------------------------------------------------------------------------------------------------------------GSHMMFVHIADNHLGYRQYNLDDREKDIYDSFKLCIKKILEIKPDVVLHSGDLFNDLRPPVKALRIAMQAFKKLHENNIKVYIVAGNHEMPRRLGEES--PLALLK-DYVKILDGKDVINVNGEEIFICGTYYHKKSKREEMLDKLKNFESEAKNYKKKILMLHQGINPYIPLDYELEHFDLPKFSYYALGHIHKRILE--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AV0.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 : 712 7252 10.19 43.69 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 10.19 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3AV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV0-query.scw PDB file : Tito_Scwrl_3AV0.pdb: