Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGRLIGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDEEGKAVAAELADAARYVHLDVTQPAQWTAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHGYTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWV-----PEDIFQTALGRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGGTVAGLAHNDFGAVEVSSQPEWVT
2HSD Chain:C ((3-244))
----LSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVEINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTG-------------------
General information:
TITO was launched using:
RESULT:
Template:
2HSD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143030 for 2087 contacts (-68.5/contact) +
2D Compatibility (PS) -24907 + (NN) -1859 + (LL) 1336
1D Compatibility (HY) -14400 + (ID) 5950
Total energy: -188810.0 ( -90.47 by residue)
QMean score : 0.645
(partial model without unconserved sides chains):
PDB file :
Tito_2HSD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HSD-query.scw
PDB file :
Tito_Scwrl_2HSD.pdb
: