Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 4KXT Chain:A ((621-698)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDAHPSRYCATVRVQRPRQEIIEDLSYMVRELLI---QFYKSTRFKPTRIIFYRDGVPEGQLPQI---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KXT.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 : 98 -8054 -82.18 -129.90 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -82.18 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_4KXT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KXT-query.scw PDB file : Tito_Scwrl_4KXT.pdb: