Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFIVEKLSKSVGDKTVFRDISFIIHDLDRIGLIGVNGTGKTTLLDVLSGVSGFDGDVSPFSAKNDYQIGYLTQDPDFDDRK--TVLDTVLSSELKEIQLIREYELIMLDYSEDKQARLERVMAEMDSLQAWEIESQVKTVLSKLGIQDLSTPIGELSGGLRRRVQLAQVLLGNHDLLLLDEPTNHLDI----AIIEWLTLFLKNSKKTVLFITHDRYFLDALSTRIFELDRAGLTEYQGNYQDYVRLKAEQDERDAALLHKKEQLYKQELAWMRRQPQARATKQQARINRFHDLKKKVSGSSAETDLTMNFETSRIGKKVIEFQAVSFAYENKPILQDFNLLVQAKDRIGIVGDNGVGKSTLLNLIAGSLEPTKGQVVIGETVRIAYFSQQIEGLDESKRVINY---LQEVAEEVKTSGGSTTSIAELLEQFLFPRSTHGTL---IEKLSGGEKKRLYLLKLLLEKPNVLLLDEPTNDLDIATLTVLENFLQGFA----GPVLTVSHDRYFLDKVATKILAFEDGKIRPFFGHYTDYLDEKAFETDMANQVQKVEKEKVVKVREDKKRMTYQEKQEWASIEGDIETLEKRIAAIEEEMQANGSDFGKLATLQKELDEKNEALLEKYERYEYLSEFDS 3OZX Chain:A ((28-460)) -------------------------------LGVLGKNGVGKTTVLKILAG------EIIPNFGDPNSKVGKDEVLKRFRGKEIYNYFKELYSNELKIVHKIQYVEYA----SKFLKGTVNEILTKIDERGK---KDEVKELLNMTNLWNKDANI--LSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKN--KYVIVVDHDLIVLDYLTDLIHII--------YGESSVYGRVSKSYAARVGI-----NNFLKGYLP---------AENMKIRPDEIKFMLK----------LKTKMKWTKIIKKLGDFQLVVDNGEAK-----------EGEIIGILGPNGIGKTTFARILVGEITADEGSVTPEKQI-LSYKPQRI--------FPNYDGTVQQYLENASKDALSTSSW--FFEEVTKRLNLHRLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRIIVFK------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OZX.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 : 2029 40550 19.98 99.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 19.98 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3OZX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OZX-query.scw PDB file : Tito_Scwrl_3OZX.pdb: