Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMLKELKVTDLKKTYGEKDLFDQISFLVHEKDRIGLIGTNGTGKTSLLNIIAGIDSSDGDRQTVFYPTDYRIGYLSQAAEFSDELTVLQAVFQGNSPLIQTVRAYEEALIELGENGE-DPDVQKRY---------AKAEEQMNKEDAWTTDTNAKIILQKLGISELDKKISTLSGGQKKRVSLAQVLIDEPDLLLLDEPTNHLDY-------EAIEWLENYLKQYRGALLMVTHDRYFLDRVANRIFELSFGKLYEYKGNYEAYVLEKAERDRVE------VEQEEKRKRLYKQELAWMRAGVQARGTKQQARINRFEDLKENLYQVNQEDDLELNLATQRLGKKVLEIKDGSYRINDQTLLEHLDLLIQSRERLGITGKNGAGKSTLLNILAGRIPLDSGTMSIGETVHLAYYTQ--ENEEMAPDKRMIAYLQEAAEEA---KTADGSQIGVAELLERFLFPRFMHGTLIGKLSGGEKRRLFLLKLLIQQPNVLLLDEPTNDLDIATLTILEDYFRSF----PGAVITVSHDRYFLDKVADKLLVFQGNGKQELYYGNMSSYLLKQKETQQPAEKAKPKIQSKEPAEKKKLSYMEQKEWETIEDEIAELEEKISLLQEEMNHQGDNFTRLQELQNDVSETEAQLEEKMARWEYLSEWVED
3BK7 Chain:A ((120-547))--------------------------------VGIVGPNGTGKTTAVKILAG-------------------QLIPNLCEDNDSWDNVIRAFRGNE-----LQNYFERL----KNGEIRPVVKPQYVDLLPKAVKGKVRELLKKVDEVGKFEEVVKELELENV--LDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGK----AVLVVEHDLAVLDYLSD-VIHVVYGE----PGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPY-----------EIRFTKLSERVD-----------VERETLVEYPRLVKDYGSFKLEVEPGE---------------IRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLTV--AYKPQYIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRN----------VEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG----------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3BK7.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 : 1778 53232 29.94 134.42
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : 29.94
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.357

(partial model without unconserved sides chains):
PDB file : Tito_3BK7.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3BK7-query.scw
PDB file : Tito_Scwrl_3BK7.pdb: