Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDTLKLYFVCGTVDCSRKNILTVVEEALQAGITLFQFREKGFTALQGKEKIAMAKQLQILCKQYQVPFIIDDDIDLVELIDADGLHIGQNDLPVDEARRRLPDKIIGLSVSTMAEYQKSQLSVVDYIGIGPFNPTQSKADAKPAVGNRTTKAVREINQDIPIVAIGGITSDFVHDIIESGADGIAVISAISKANHIVDATRQLRYEVEKALVNRQKRSDVIK
1G4S Chain:A ((13-226))
MKELLSVYFIMGS-NNTKADPVTVVQKALKGGATLYQFREKGGDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGDMILGVAAHTMSEVKQAEEDGADYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYKTGR--------
General information:
TITO was launched using:
RESULT:
Template:
1G4S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151424 for 1841 contacts (-82.3/contact) +
2D Compatibility (PS) -24176 + (NN) -15990 + (LL) 832
1D Compatibility (HY) -10400 + (ID) 4450
Total energy: -205608.0 ( -111.68 by residue)
QMean score : 0.650
(partial model without unconserved sides chains):
PDB file :
Tito_1G4S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G4S-query.scw
PDB file :
Tito_Scwrl_1G4S.pdb
: