Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQA-G--GVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS
3NGJ Chain:A ((22-238))
----MDKATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVDASGKALTKVIIECCYLTN----EEKVEVCKRCVAAGAEYVKTSTGFGT-HGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNGI-
General information:
TITO was launched using:
RESULT:
Template:
3NGJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158735 for 1933 contacts (-82.1/contact) +
2D Compatibility (PS) -24696 + (NN) -17394 + (LL) 604
1D Compatibility (HY) -17600 + (ID) 4800
Total energy: -222621.0 ( -115.17 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_3NGJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGJ-query.scw
PDB file :
Tito_Scwrl_3NGJ.pdb
: