Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEPFRNIGIIGRLGSTQVLDTIRRLKKFLIDRHLHVILEDTIAEVLPGHGLQTCSRKIMGEICDLVVVVGGDGSMLGAARALARHKVPVLGINRGSLGFLTDIRPDELEAKVGEVLDGQYIVESRFLLDAQVRRGIDSMGQGDALNDVVLHPGKSTRMIEFELYIDGQFVCSQKADGLIVATPTGSTAYALSAGGPIMHPKLDAIVIVPMYPHMLSSRPIVVDGNSELKIVVSPNMQIYPQVSCDGQNHFTCAPGDTVTISKKPQKLRLIHPIDHNYYEICRTKLGWGSRLGGGD
2AN1 Chain:A ((4-292))
--HFKCIGIVGH-------TTHEMLYRWLCDQGYEVIVEQQIAHELQLKNVPTGTLAEIGQQADLAVVVGGDGNMLGAARTLARYDINVIGINRGNLGFLTDLDPDNALQQLSDVLEGRYISEKRFLLEAQVCQQ----RISTAINEVVLHPGKVAHMIEFEVYIDETFAFSQRSDGLIISTPTGSTAYSLSAGGPILTPSLDAITLVPMFPHTLSARPLVINSSSTIRLRFSHD----LEISCDSQIALPIQEGEDVLIRRCDYHLNLIHPKDYSYFNTLSTKLGWSKKLF---
General information:
TITO was launched using:
RESULT:
Template:
2AN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -220201 for 2235 contacts (-98.5/contact) +
2D Compatibility (PS) -30756 + (NN) -16028 + (LL) 1340
1D Compatibility (HY) -28800 + (ID) 6900
Total energy: -301345.0 ( -134.83 by residue)
QMean score : 0.530
(partial model without unconserved sides chains):
PDB file :
Tito_2AN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AN1-query.scw
PDB file :
Tito_Scwrl_2AN1.pdb
: