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



Input alignment information:
Query sequenceMAAFNVERITYVHHWNDTLFSFKTTRDASLRFKNGQFVMIGL-EVNGKPLMRAYSIASANYEEELEFFSIKVQDGPLTSILQKVQVGDEILVSKKPTGTLVHDDLLPGKNLYLLSSGTGLAPFLSIIRDPETYERFEKVIVVHGTRYISELAYQDLILNELPNNEFFEELGIKDKLVYYPTVTREPFHTQGRVTTAIETGALFEKIGLPRFNRETDRAMLCGSPAFLKDVAALLDQHGLVESPRMGEMGDYVIERAFVEK
2BGJ Chain:B ((17-268))----DAQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGEL-VEGKLKYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGAN-SEPREFVVEKAFV--


General information:
TITO was launched using:
RESULT:

Template: 2BGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1408 -43272 -30.73 -172.40
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain B : 0.87

3D Compatibility (PKB) : -30.73
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.87
QMean score : 0.585

(partial model without unconserved sides chains):
PDB file : Tito_2BGJ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2BGJ-query.scw
PDB file : Tito_Scwrl_2BGJ.pdb: