Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEQIGNGVALVTGASSGIGATYAEHLARRGHDLLLVARDRQRLEALADRLRQAHGVRVEILRADLSERDDRLRVERRLRDDASIALLVNNAGVAMNGPLADADMDRAERMIALNVVALTRLAAGAAEGFRRRGGGAIVNLGSVVALAPELFNAVYSATKAYVLSLSQSLQHELAGSGVYVQAVLPGVTRTEIWERSGTGIAGIPAEMVMEVEDLVEAALVGFDRREAVTIPSLPDAADWQALMTARARLAPNLSRQRPAERYLG
4BMV Chain:D ((8-258))
----------LITGASSGIGATYAERFARRGHDLVLVARDKVRLDALAARLRDESGVAVEALQADLTRPADLAAVEIRLREDARIGILINNAGMAQSGGFVQQTAEGIERLITLNTTALTRLAAAVAPRFVQSGTGAIVNIGSVVGFAPEFGMSIYGATKAFVLFLSQGLNLELSPSGIYVQAVLPAATRTEIWGRAGIDVNTLPE--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) -159578 for 1985 contacts (-80.4/contact) +
2D Compatibility (PS) -27628 + (NN) -16642 + (LL) 784
1D Compatibility (HY) -24400 + (ID) 7400
Total energy: -234864.0 ( -118.32 by residue)
QMean score : 0.636
(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
: