Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 4KRE Chain:A ((617-695)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDAHPSRYCATVRVQRPRQEIIEDLSYMVRELLI---QFYKSTRFKPTRIIFYRDGVPEGQLPQI---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KRE.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 : 99 -10642 -107.49 -171.64 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -107.49 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_4KRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KRE-query.scw PDB file : Tito_Scwrl_4KRE.pdb: