Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEENMNIKQLKSKTMLGTVALVSAFSFASTNADANTYNYAVDVDYLASAEEIAQAHPASNTFPLGQCTWGVKEMAT-WAGNWWGNGGDWAASAASAGYTVGTQPRVGSIVCWTDGSYGHVAYVTAVDPVTNKIQVLESNYAGHQWIDNYRGWFDPQNTATPGVVSYIYPN
2K3A Chain:A ((43-155))
----------------------------------------------------STSGSSANLYTAGQCTWYVYDKVGGNIGSTWGNANNWASAASSAGYTVNNSPEAGSILQSTAGGYGHVAYVENVNS-DGSVEVSEMNYNGGPFSVSERTISA----GEASSYNYIHLN
General information:
TITO was launched using:
RESULT:
Template:
2K3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63080 for 830 contacts (-76.0/contact) +
2D Compatibility (PS) -12642 + (NN) -11352 + (LL) 4336
1D Compatibility (HY) -4000 + (ID) 2150
Total energy: -88888.0 ( -107.09 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_2K3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2K3A-query.scw
PDB file :
Tito_Scwrl_2K3A.pdb
: