Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCAAQMPPLAHIFRGTFVHSTWTCPMEVLRDHLLGVSDSGKIVFLEEASQQEKLAKEWCFKPCEIRELSHHEFFMPGLVDTHIHASQYSFAGSSIDLPLLEWLTKYTFPAEHRFQNIDFAEEVYTRVVRRTLKNGTTTACYFATIHTDSSLLLADITDKFGQRAFVGKVCMDLNDTFPEYKETTEESIKETERFVSEMLQKNYSRVKPIVTPRFSLSCSETLMGELGNIAKTRDLHIQSHISENRDEVEAVKNLYPSYKNYTSVYDKNNLLTNKTVMAHGCYLSAEELNVFHERGASIAHCPNSNLSLSSGFLNVLEVLKHEVKIGLGTDVAGGY-SYSMLDAIRRAVMVSNILLINKVNEKSLTLKEVFRLATLGGSQALGLDGEIGNFEVGKEFDAILINPKASDSPIDLFYGDFFGDISEAVIQKFLYLGDDRNIEEVYVGGKQVVPFSSSV 4DYK Chain:A ((6-419)) ------NPFDLLLLPTWIVPVEP-AGVVLRDHALGIR-DGQIALVAPREQAMR-------HGATEIRELPGMLLAPGLVNAHGHSAMSLFRGLADDLPLMTWLQDHIWPAEGQWVSEDFIRDGTELAIAEQVKGGITCFSDMYFYPQ----AICGVVHDSGVRAQVAIPVLDFP--IPGA-RDSAEAIRQGMALFDDLKH--HPRIRIAFGPHAPYTVSDDKLEQILVLTEELDASIQMHVHETAFEVEQAMERN-G-ERPLARLHRLGLLGPRFQAVHMTQVDNDDLAMLVETNSSVIHCPESNLKLASGFCPVEKLWQAGVNVAIGTDGAASNNDLDLLGETRTAALLAKAVYG---QATALDAHRALRMATLNGARALGLERLIGSLEAGKAADLVAFDLSGLA-QQ----------PVYDPVSQLIYASGRDCVRHVWVGGRQLLDDGRL-

General information: TITO was launched using: RESULT: Template: 4DYK.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 : 2606 -190004 -72.91 -460.06 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -72.91 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_4DYK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DYK-query.scw PDB file : Tito_Scwrl_4DYK.pdb: