Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIREILLADTHNYYGILDERFIDLAHQFSRLQDA-RTGQGGAALAVYFRGQKVVDIYTGLKSQ--TEAWQPDTLAVCYSTGKGVLATLAHILVSEGFLEYDKPIATYWPEFAQN-----------GKEQMTLRHVLSHQSGMFDVRNIIES----A-------REMLDWSHMLVVVAATKPRFLAGEGNAYQALTFGWLVGGVLEKATGQSLDQLMQNYLVEPLQLDGAYFGTPANELDRVARLIIQPKPEKPASTQVEKPKKPQTRKSSLSEKVITWTGQDPQDFQDAMIPKGMKNFSFFSDEGLQAVIPAANGTFTANSLAKIYAMLANQGEW-DGQQLIRPEVFKELSTIQSYARDR--VMPIPMNWRLGYHRIITM--GKRAKNGF------GHIGYNGSGAWCDPERDLSFAYTHNLQIGSITGDYRLWGLTQEALRCTDQILKGRKGWF 4P6B Chain:A ((3-388)) ---------------------DLLTNVAENYVNQDL--FAGIEWRIDQDGKPIFQGCAGVKDIETRTFIPKNAIYRIYSMTKPIVSFLAMMLIERGVFRLSSPIQNFDPRFKSMKVIDQHAHIEPATALITIEHLLTHQAGFSYDFSLGCPISAHYRDAQLIEDGGRDLTDMMGVLAELPLVFHPGTQWKYSI-ST-DVLAHIIECATGERVDDLLQRLIFDPLDMQDTGFSLPLDGASRLMEVYGM------GLPALK-P----------AP--HVLV-------------PADL-GSSHPTDDPDFRRGGHGLYSTLDDYMAFANMLLSGQTPEGE-TLLSPAVLKLALAPRVHFGARGMRINDEPFAGYSWNLLGRVMTDVGAAAYATHLGEFGWSGAAATYFWVDPTKNMTGCVMTQFLGSQH---PIGSDMQAAAMSML-----------

General information: TITO was launched using: RESULT: Template: 4P6B.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 : 1776 -51948 -29.25 -150.14 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -29.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4P6B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P6B-query.scw PDB file : Tito_Scwrl_4P6B.pdb: