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



Input alignment information:
Query sequenceMIKRTVKNIAEMVKGTLAN-PQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQE--LGTRVIGVTGSNGKTTTKDMIHAVLGTQYR---VHKT-----GG-NFNNHIGLP--LTVLAMP-----ENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIK--GIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKT--DSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKL-----GAFIAEGALKHFEK--DRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
4BUB Chain:A ((1-462))---MNISTIVSNLKDLILEVRAPYDLEITGVSNHSSKVKKGDLFICRR-------EIIPEVMEKGAVAVVVEREID---LDFPYIQVFDSRYFEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVKRILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHAL--VQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDDGVAVLNESLADAFN-RKSRKITFGTSKNADYRLGNIEVSWEGTQFVLETPDGLLKVFTRAIGDFNAYNAAAAIAALHQLGYDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVD-FAHSPDALEKLLKNVRKIS-QGRVIVVFGAGGN----SDRGKRPMMSEVASKLADVVILTTDDPRGEDPEQIMEDLIK-GIDKRKPYLVLFDRREAIETALTIANRGDSVVIAGRGH-ERYQIID--------


General information:
TITO was launched using:
RESULT:

Template: 4BUB.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 : 2328 -268849 -115.48 -632.58
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -115.48
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.496

(partial model without unconserved sides chains):
PDB file : Tito_4BUB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4BUB-query.scw
PDB file : Tito_Scwrl_4BUB.pdb: