Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLAEAADAINFGLAGRVVLVTGGVRGVGAGISSVFAEQGATVITC------ARRAVDGQP-YEFHRCDIRDEDSVKRLVGEIGERHGRLDMLVNNAGGSPYALAAEATHNFHRKIVELNVLAPLLVSQHANVLMQAQPNGGSIVNICSVSGRRPTPGTAAYGAAKAGLENLTTTLAVEWAPK-VRVNAVVVGMVETERSELFYGDAESIARVAATVPLGRLARPADIGWAAAFLASDAASYISGATLEVHGGGEPPPYLGASSANK
4NBU Chain:D ((11-247))
-------------LQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEANPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQ-AVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTET--AMVAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGG--------------
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140540 for 1978 contacts (-71.1/contact) +
2D Compatibility (PS) -25227 + (NN) -11290 + (LL) 1196
1D Compatibility (HY) -15200 + (ID) 4200
Total energy: -195261.0 ( -98.72 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: