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



Input alignment information:
Query sequenceMKLPQADFQHRRNRLAEKMGPNSIAIIATREEMYRNRDADYKFRADSSFFYLTGFAEPEAVAVIETFDDVTDYSYSLFCRERNREMEIWNGYRAGIDGAIEENEADEAYAIDLLDEEIIEKLLNKERLYYRIGHNAAFDARVSQWIKKANAEHRHE-AAPAQLVQLDRIVDEMRLIKSPQEIELMQIASTISAKAHTRAMQTVRPGMMEYALEAELNYIFGQNGC-VPSYNSIVGGGANACILHYVENNQALKDGDLVLIDAACEYEFYASDITRTFPVNGKFSPEQKALYEVVLASQYAAIDAVRIGNSYREPHEVAVKILTEGLVDLGLLKGDVSELIETEAYRQFYMHGTGHWLGMDVHDVGSYKKDDDWRQYEEGMVVTVEPGLYIAPDDETVDKKWRGIGIRIEDDVVATSKGPRVLTADVVKDIADIEHLMAQAKA
2BH3 Chain:A ((2-438))-EISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFWYFTGFNEPEAVLVLIKSDDTHNHSV-LFNRVRDLTAEIWFGRRLGQDAAPEKLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSALEKLRKGSRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRS-RILEPGMVLTVEPGLYIAPDAE-VPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEIEALMVAAR-


General information:
TITO was launched using:
RESULT:

Template: 2BH3.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 : 2405 -46390 -19.29 -106.64
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain A : 0.83

3D Compatibility (PKB) : -19.29
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.545

(partial model without unconserved sides chains):
PDB file : Tito_2BH3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2BH3-query.scw
PDB file : Tito_Scwrl_2BH3.pdb: