Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEQIGNGVALVTGASSGIGATYAEHLARRGHDLLLVARDRQRLEALADRLRQAHGVRVEILRADLSERDDRLRVERRLRDDASIALLVNNAGVAMNGPLADADMDRAERMIALNVVALTRLAAGAAEGFRRRGGGAIVNLGSVVALAPELFNAVYSATKAYVLSLSQSLQHELAGSGVYVQAVLPGVTRTEIWERSGTGIAGIPAEMVMEVEDLVEAALVGFDRREAVTIPSLPDAADWQALMTARARLAPNLSRQRPAERYLG
4BMV Chain:I ((8-258))
----------LITGASSGIGATYAERFARRGHDLVLVARDKVRLDALAARLRDESGVAVEALQADLTRPADLAAVEIRLREDARIGILINNAGMAQSGGFVQQTAEGIERLITLNTTALTRLAAAVAPRFVQSGTGAIVNIGSVVGFAPEFGMSIYGATKAFVLFLSQGLNLELSPSGIYVQAVLPAATRTEIWGRAGIDV-TLPE--VMEVDELVDAALVGFDRRELVTIPPLHVAARWDALDGARQGLMSDIRQAQAADRY--
General information:
TITO was launched using:
RESULT:
Template:
4BMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159167 for 1976 contacts (-80.6/contact) +
2D Compatibility (PS) -27549 + (NN) -16751 + (LL) 928
1D Compatibility (HY) -24400 + (ID) 7150
Total energy: -234089.0 ( -118.47 by residue)
QMean score : 0.635
(partial model without unconserved sides chains):
PDB file :
Tito_4BMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BMV-query.scw
PDB file :
Tito_Scwrl_4BMV.pdb
: