Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYH--QIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 2O1Q Chain:A ((93-137)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YGYESANARHDKTEFPVASEFYMSFLGPLT--FVKPD----GSPIAVIGWE------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2O1Q.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 : 60 -2526 -42.09 -58.73 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -42.09 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.097

(partial model without unconserved sides chains): PDB file : Tito_2O1Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1Q-query.scw PDB file : Tito_Scwrl_2O1Q.pdb: