Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGRLIGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDEEGKAVAAELADAARYVHLDVTQPAQWTAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHGYTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWVPEDIFQTALGRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGGTVAGLAHNDFGAVEVSSQPEWVT
1NFQ Chain:B ((2-245))
-SGRLTGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDEEGKAMAAELADAARYVHLDVTQPAQWKAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHGYTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWVPEDIFQTALGRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGGTVAGLAHN---------------
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) -142458 for 2101 contacts (-67.8/contact) +
2D Compatibility (PS) -25697 + (NN) -5431 + (LL) 1152
1D Compatibility (HY) -32400 + (ID) 12050
Total energy: -216884.0 ( -103.23 by residue)
QMean score : 0.678
(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
: