Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNHPDLAGKVAIVTGAGAGIGLAVARRLADEGCHVLCADIDGDAADAAATKIGCGAAACRVDVSDEQQIIAMVDACVAAFGGVDKLVANAGVVHLASLIDTTVEDFDRVIAINLRGAWLCTKHAAPRMIERGGGAIVNLSS---LAGQVAVGGTGAYGMSKAGIIQLSRITAAELRSSGIRSNTLLPAFVDTPMQQTAMA-MFDGALGAGGARSMIARLQGRMAAPEEMAGIVVFLLSDDASMITGTTQIADGGTIAALW
1NFQ Chain:D ((5-242))
-----LTGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDEEGKAMAAELADAARYVHLDVTQPAQWKAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHG---YTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWVPEDIFQTAL-------------GRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGGTVAGL-
General information:
TITO was launched using:
RESULT:
Template:
1NFQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157203 for 1993 contacts (-78.9/contact) +
2D Compatibility (PS) -24942 + (NN) -3496 + (LL) 932
1D Compatibility (HY) -17600 + (ID) 4650
Total energy: -206959.0 ( -103.84 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_1NFQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NFQ-query.scw
PDB file :
Tito_Scwrl_1NFQ.pdb
: