Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLKLKGRPRKGKFECFSTQAWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYKMGTITVGKKLVQQVEASYTNTALWFNAVLWKILDERCDDFELNAWFRSLDQNLMQFF---FKSTLTVDDSIKIQVKKINQKNFKKLKNYELLDVFTLVVLAIQMSIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYENLLSTLELHFIQQGEHTFGSPIALMLWEYDPMMSVHPQMRMA-------TISEGKSVQQTISDASYLVKAQVCCFEKYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKFFPLARFPEIIAQDKENMIAMTMMFGDEL--DWESLESMVGIAVLQEIVYFNEDRFVETHTRFWQERLGLIK 5TCQ Chain:A ((172-557)) ---GIELGRQKIGVMRLNNT--------FVGDRTYNLRDQKMVIPGIATAIERLL-QIKIVAYPDTNSLLVKG----------TAEQVHFIEMLVKALDVAKRHVELSLWIVDLNKSDLERLGTSWSGSITIGDKLGVSLN--------------------------QSSISTLDGSRFIAAVNALEEKKQATVVSRPVLLTQENVPAIFDNNRTFYTKLIGERNVALEHVTYGTMIRVLPRFSADGQIEMSLDIEDGNDKTPQSDTTTSVDALPEVGRTLISTIARVPHGKSLLVG---GYTRDANTDTVQSIPFLGKLPLIGSLFRYSSKNKSNVVRVFMIEPKEIVDPLTPDASESVNNILKQSGAWSGDDKLQKWVRVYLDRG----

General information: TITO was launched using: RESULT: Template: 5TCQ.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 : 1195 -1803 -1.51 -5.56 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -1.51 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.053

(partial model without unconserved sides chains): PDB file : Tito_5TCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TCQ-query.scw PDB file : Tito_Scwrl_5TCQ.pdb: