Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESL-ESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 2K5C Chain:A ((11-50)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CPICGSPLKWEELIEEMLIIENFEEIV-KDRERFLAQVEEF---------

General information: TITO was launched using: RESULT: Template: 2K5C.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 : 37 -5760 -155.66 -147.68 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -155.66 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.236

(partial model without unconserved sides chains): PDB file : Tito_2K5C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K5C-query.scw PDB file : Tito_Scwrl_2K5C.pdb: