Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMATISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDELDWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 1CLV Chain:I ((15-27)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPCCEPYTCTSDY-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1CLV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 7 -1991 -284.43 -153.15 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain I : 0.48 3D Compatibility (PKB) : -284.43 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_1CLV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CLV-query.scw PDB file : Tito_Scwrl_1CLV.pdb: