Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MKQRIIDELKRIEQSYGVKIVYAVESGSRAWGFPSQDSDYDVRFIYVPKKEWYFSI--EQERDVIEEPIH-----DL-LDISGWELRKTLRLFKKSNPPLLEWLSSDIVYYEAFTT--AEQLRKLRTEAFKPEA------SVYHYINMARRNVKDYLQGQEVKIKKYFYVLR-----------PILACQWIEKHGTIPPMDFTVLMNELVAEPELKAEMETLLER----KRRGEELD-----------LEARIDVIHQFIETEIERIMEAAKELKAEKKDMTSELNRLLLNTVEEVWKDGGS--------- 3OPY Chain:I ((5-351)) DSIIRDLERENVGPEFGEFLNTLQTDLNSEKPPIEQVKSQLETHFNLAHETQEFSRKNDNAPVDKLLTNYYNNYEVNVLEFVLQMGFSRDLSIPLNVWFVLDMISQLSTSKQDLP--LDYYLVLNNSQTGKYSDFVRYLIYEAVGAEIHLANRGPIRGNVGAGDRKITFHLLCKKTARMILVGDDRETDFEMSDRSFVTLLLDYYQRVGTTKKIDLLLLTNNFDTNMNNKLQQLKILESLNMLKSNCYVLDYQITVDQVTANFNSYVEGIPAFRRHEIANFLKKRKTPKNADELIFKYVGRWNICYQKKFHQGNISIHQISGYLD

General information: TITO was launched using: RESULT: Template: 3OPY.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 : 1096 -66552 -60.72 -257.95 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain I : 0.63 3D Compatibility (PKB) : -60.72 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.133

(partial model without unconserved sides chains): PDB file : Tito_3OPY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OPY-query.scw PDB file : Tito_Scwrl_3OPY.pdb: