Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 2DCV Chain:A ((16-33)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GRSCCF-GYYCRRDFPGSI-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DCV.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 : 10 -1375 -137.50 -76.39 target 2D structure prediction score : 0.06 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -137.50 2D Compatibility (Sec. Struct. Predict.) : 0.06 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.193

(partial model without unconserved sides chains): PDB file : Tito_2DCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DCV-query.scw PDB file : Tito_Scwrl_2DCV.pdb: