Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 1QFD Chain:A ((15-27)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPCCEPYTCTSDY-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1QFD.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 : 8 -3057 -382.06 -235.12 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -382.06 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_1QFD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QFD-query.scw PDB file : Tito_Scwrl_1QFD.pdb: