Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKQVVVMDEAAIKRALTRVSYEIIERNKGTKNLALVGIKTRGIYLAERLHKRILEIEGIDVPVGDIDITLYRDDLSFKDDKTREPAVHGTNIPFDINGKKVVLVDDVLYTGRTVRAAMDALMDVGRPAQIHLAVLADRGHRELPIRADYVGKNIPTSGNERVEVRLTDVDHAEDAVIINKNE
2IGB Chain:A ((1-169))
MQK-AVVMDEQAIRRALTRIAHEIIERNKGIDGCVLVGIKTRGIYLARRLAERIEQIEGASVPVGELDITLYR-------DD-HEPLVKGTNVPFPVTERNVILVDDVLFTGRTVRAAMDAVMDLGRPARIQLAVLVDRGHRELPIRADFVGKNVPTSRSELIVVELSEVD------------
General information:
TITO was launched using:
RESULT:
Template:
2IGB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103049 for 1239 contacts (-83.2/contact) +
2D Compatibility (PS) -17923 + (NN) -6833 + (LL) 1256
1D Compatibility (HY) -20000 + (ID) 5700
Total energy: -152249.0 ( -122.88 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_2IGB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IGB-query.scw
PDB file :
Tito_Scwrl_2IGB.pdb
: