Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKKGKKYQDALKQIDANKVYTAEEAVELAKKIDFAKFDATVEVAFRLGVDPKKADQQIRGAVVLPNGTGKTQRVLVFAKGEKAKEAEAAGADYVGESEFVEKINQGWFDFDVIVATPDMMGEVG-KLGRVLGPKGLMPNPKTGTVTMDVTKAVNEIKAGKVEYRVDKAGNVHAAIGKVSFDAAKLVENFRTVNDVLQKAKPAAAKGTYVKNLSVTTTFGPGIKVDPASL
4QGB Chain:A ((1-216))
-------------KVDPNKIYTIDEAAHLVKELATAKFDETVEVHAKLGIDPRRSDQNVRGTVSLPHGLGKQVRVLAIAKGEKIKEAEEAGADYVGGEEIIQKILDGWMDFDAVVATPDVMGAVGSKLGRILGPRGLLPNPKAGTVGFNIGEIIREIKAGRIEFRNDKTGAIHAPVGKASFPPEKLADNIRAFIRALEAHKPEGAKGTFLRSVYVTTTMVPSVRINPHS-
General information:
TITO was launched using:
RESULT:
Template:
4QGB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100343 for 1796 contacts (-55.9/contact) +
2D Compatibility (PS) -23992 + (NN) -16810 + (LL) 1132
1D Compatibility (HY) -18000 + (ID) 5850
Total energy: -163863.0 ( -91.24 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_4QGB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGB-query.scw
PDB file :
Tito_Scwrl_4QGB.pdb
: