Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFIVEKLSKSVGDKTVFRDISFIIHDLDRIGLIGVNGTGKTTLLDVLSGVSGFD-GDVSPFSAK-NDYQIGYLTQD-------PD-FDDRKTVLDTVLSSELKEIQLIREYELIMLDYSEDKQARLERVMAEMDSLQAWEIESQVKTVLSKLGIQ-DLSTPIGELSGGLRRRVQLAQVLLGNHDLLLLDEPTNHLDIAIIEWLTLFLKNS---KKTVLFITHDRYFLDALSTRIFELDRAGLTEYQGNYQDYVRLKAEQDERDAALLHKKEQLYKQELAWMRRQPQARATKQQARINRFHDLKKKVSGSSAETDLTMNFETSRIGKKVIEFQAVSFAYENKPILQDFNLLVQAKDRIGIVGDNGVGKSTLLNLIAGSLEPTKGQVVIGETVRIAYFSQQIEGLDESKRVINYLQEVAEEVKTSGGSTTSIAELLEQFLFPRSTHGTLIEKLSGGEKKRLYLLKLLLEKPNVLLLDEPTNDLDIATLTVLENFLQGF----AGPVLTVSHDRYFLDKVATKILAFEDGKIRPFFGHYTDYLDEKAFETDMANQVQKVEKEKVVKVREDKKRMTYQEKQEWASIEGDIETLEKRIAAIEEEMQANGSDFGKLATLQKELDEKNEALLEKYERYEYLSEFDS 1YQT Chain:A ((25-481)) ------EDCVHRYGVNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGD---NDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKA------V-----------KG---KVIELL---KKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDII-HVVYGEPGVY-GIFSQP---KGTRNG--------INEFL--RGYLKDENVRFR-----PYEIKFTKTGE-----------RVE----IERETLVTYPRLVKDYG-SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDL--TVAYKPQYIK-ADYEGTVYELLSKIDASK---LNSNFYKTELLKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGEPGK-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2307 23861 10.34 54.35 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 10.34 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: