Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 2R1J Chain:R ((31-63)) --------------------------------------------------------SNVAISQWERSETEPNGENLLALSKALQCSPDY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R1J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 47 -4375 -93.09 -132.58 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain R : 0.48 3D Compatibility (PKB) : -93.09 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.656

(partial model without unconserved sides chains): PDB file : Tito_2R1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R1J-query.scw PDB file : Tito_Scwrl_2R1J.pdb: