Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEQTIYGANTPGGSGPRTKIRTHHLQRWKADGHKWAMLTAYDYSTARIFDEAGIPVLLVGDSAANVVYGYDTTVPISIDELIPLVRGVVRGAPHALVVADLPFGSYEAGPTAALAAATRFLKDGGAHAVKLEGGERVAEQIACLTAAGIPVMAHIGFTPQSVNTLGGFRVQGRGD-AAEQTIADAIAVAEAGAFAVVMEMVPAELATQITGKLTIPTVGIGAGPNCDGQVLVWQDMAGFSGAKTARFVKRYADVGGELRRAAMQYAQEVAGGVFPADEHSF
3VAV Chain:A ((13-275))
-----------------RPAVTVPKLQAMREAGEKIAMLTCYDASFAALLDRANVDVQLIGDSLGNVLQGQTTTLPVTLDDIAYHTACVARAQPRALIVADLPFGTYGT-PADAFASAVKLM-RAGAQMVKFEGGEWLAETVRFLVERAVPVCAHVGLTPQSVHAFG---VQGKTEAGAAQLLRDARAVEEAGAQLIVLEAVPTLVAAEVTRELSIPTIGIGAGAECSGQVLVLHDMLGVFPGKRPRFVKDFMQGQPSIFAAVEAYVRAVKDGSFPGPEHSF
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) -206217 for 2339 contacts (-88.2/contact) +
2D Compatibility (PS) -28533 + (NN) -12878 + (LL) -176
1D Compatibility (HY) -22400 + (ID) 5900
Total energy: -276104.0 ( -118.04 by residue)
QMean score : 0.550
(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
: