Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEQTIYGANTPGGSGPRTKIRTHHLQRWKADGHKWAMLTAYDYSTARIFDEAGIPVLLVGDSAANVVYGYDTTVPISIDELIPLVRGVVRGAPHALVVADLPFGSYEAGPTAALAAATRFLKDGGAHAVKLEGGERVAEQIACLTAAGIPVMAHIGFTPQSVNTLGGFRVQGRGDA-AEQTIADAIAVAEAGAFAVVMEMVPAELATQITGKLTIPTVGIGAGPNCDGQVLVWQDMAGFSGAKTARFVKRYADVGGELRRAAMQYAQEVAGGVFPADEHSF
3VAV Chain:J ((13-275))
-----------------RPAVTVPKLQAMREAGEKIAMLTCYDASFAALLDRANVDVQLIGDSLGNVLQGQTTTLPVTLDDIAYHTACVARAQPRALIVADLPFGTY-GTPADAFASAVKLMR-AGAQMVKFEGGEWLAETVRFLVERAVPVCAHVGLTPQSVHAFGGFKVQGKTEAGAAQLLRDARAVEEAGAQLIVLEAVPTLVAAEVTRELSIPTIGIGAGAECSGQVLVLHDMLGVFPGKRPRFVKDFMQGQPSIFAAVEAYVRAVKDGSFPGPEHSF
General information:
TITO was launched using:
RESULT:
Template:
3VAV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -208402 for 2363 contacts (-88.2/contact) +
2D Compatibility (PS) -28952 + (NN) -13383 + (LL) -100
1D Compatibility (HY) -22800 + (ID) 6050
Total energy: -279687.0 ( -118.36 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_3VAV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VAV-query.scw
PDB file :
Tito_Scwrl_3VAV.pdb
: