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



Input alignment information:
Query sequenceMSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVG-DELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLE-KIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHL--------GFKFIPIITRDPSAPLHERLPVLIENGELEKVAG-LELSPASSHVMLCGNPQMVDDTKEALKRCGLTMN-RRGEGNIAVENYW
2BGI Chain:A ((16-267))-----PDAQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKP-VGTLVID--ALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQ----EDPLIGELVEGKLKYYPTTTREE-FHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGANSEPREFVVEKAF


General information:
TITO was launched using:
RESULT:

Template: 2BGI.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 : 1287 -22832 -17.74 -95.13
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -17.74
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.590

(partial model without unconserved sides chains):
PDB file : Tito_2BGI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2BGI-query.scw
PDB file : Tito_Scwrl_2BGI.pdb: