Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGRLIGKVALVSGGARGMGASHVRAMVAEGAKVVFGDILDEEGKAVAAELADAARYVHLDVTQPAQWTAAVDTAVTAFGGLHVLVNNAGILNIGTIEDYALTEWQRILDVNLTGVFLGIRAVVKPMKEAGRGSIINISSIEGLAGTVACHGYTATKFAVRGLTKSTALELGPSGIRVNSIHPGLVKTPMTDWV-----PEDIFQTALGRAAEPVEVSNLVVYLASDESSYSTGAEFVVDGGTVAGLAHNDFGAVEVSSQPEWVT
2HSD Chain:A ((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) -144206 for 2116 contacts (-68.2/contact) +
2D Compatibility (PS) -24939 + (NN) -2131 + (LL) 1336
1D Compatibility (HY) -14400 + (ID) 5950
Total energy: -190290.0 ( -89.93 by residue)
QMean score : 0.627
(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
: