Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGAQMNKIEVKNVFKIFGPRADAALALIRQGRSKGEVLAQTGCVVGVNDLSLSIGAGEIFVIMGLSGSGKSTLVRHFNRLIDPTSGEILVDGEDILRYDMEALRQFRRRKISMVFQSFGLLPHKSVLDNVAYG-LKVRGESRAQCHERALHWIATVGLKGYEKSYPHQLSGGMRQRVGLARALAADTEIILMDEAFSALDPLIRADMQDQLLELQKTLHK---TIVFITHDLDEAVRIGNRIAILKDGQLIQVGTPREILHQPADDYVDRFVQRRVANL
2Q0H Chain:B ((43-261))
--------------------------------------------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKV--REEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDP----EMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK-----
General information:
TITO was launched using:
RESULT:
Template:
2Q0H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110095 for 1697 contacts (-64.9/contact) +
2D Compatibility (PS) -23552 + (NN) -13084 + (LL) 4836
1D Compatibility (HY) -20000 + (ID) 4150
Total energy: -166045.0 ( -97.85 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_2Q0H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q0H-query.scw
PDB file :
Tito_Scwrl_2Q0H.pdb
: