Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVFQHDIYAGQQVLVTGGSSGIGAAIAMQFAELGAEVVALGLDADGVHAPRHPRIRREELDITDSQRLQRLFEAL----PRLDVLVNNAGISRDREEYDL--ATFERVLRLNLSAAMLASQLARPLLAQRG-GSILNIASMYSTFGSADRPAYSASKGAIVQLTRSLACEYAAE--RIRVNAIAPGWIDTPLGAGLKADVEATRRIMQRTPLARWGEAPEVASAAAFLCGPGASFVTGAVLAVDGGYLCA
4NBT Chain:B ((6-237))
---------GKVAVITGGAKGLGQAIALAYAEEGAKVIAGDL---GDLTYSHPNVEGMYLNVTDVTGVEKFYQSVIDKYGKIDILVNNAGITKDAMTRKMTEAQWDAVIDVNLKGVFNLTRLVGPQMQTNGYGSIINISSVVGVFGNIGQANYAATKAGVIGLTMTWAKEFALKGANVRVNAIAPGYIMTDILKTVPQDL--LDKFAALTMLNRLGQPEEIAKVALFLASDDASYVTGQTINVNGG----
General information:
TITO was launched using:
RESULT:
Template:
4NBT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127489 for 1897 contacts (-67.2/contact) +
2D Compatibility (PS) -24846 + (NN) -16848 + (LL) 1768
1D Compatibility (HY) -19600 + (ID) 4100
Total energy: -191115.0 ( -100.75 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_4NBT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBT-query.scw
PDB file :
Tito_Scwrl_4NBT.pdb
: