Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MRITGERIYLRPFQIIDANQKLAFHLANKAFFEGYSMERDDRFYTIEEQQSLISRLEDFAASDVEYYYGIFLNDTDELIGTINLFSILRESLQSAFIGYFLDKKHNGNGYATEAVQLIVDFGFDILGLHRIEAGVMPKNERSKQVLLKAGFHLEGLAVQNVRI-NGTWEDHQVLAIINPGD-----------
1YRE Chain:A ((13-195))
LPITLQRGALRLEPLVEADIPELVSLAEANREAL---------QYMDGPTRPDWYRQSLAEQREG--RALPLAVRLGVQLVGTTRFAEFLPALPACEIGWTWLDQAQHGSGLNRMIKYLMLKHAFDNLRMVRVQLSTAASNLRAQGAIDKLGAQREGVLRNHRRLAGGRLDDTFVYSITDHEWPQVKAALEASF
General information:
TITO was launched using:
RESULT:
Template:
1YRE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78699 for 1260 contacts (-62.5/contact) +
2D Compatibility (PS) -18410 + (NN) -6050 + (LL) 552
1D Compatibility (HY) -4000 + (ID) 1450
Total energy: -108057.0 ( -85.76 by residue)
QMean score : 0.380
(partial model without unconserved sides chains):
PDB file :
Tito_1YRE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YRE-query.scw
PDB file :
Tito_Scwrl_1YRE.pdb
: