Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQSYSKNANHNMRRPVVKEEIVQYMRQHQKQNNGCLAELEAFAKQENIPII---PHETATYFRFLMQTLQPKHILEIGTAIGFSALLMAE--NAPEAKITTIDRNEEMIVLAKENFAKYDNHNQITLLEGDAVDVLQTLDKSYDFVFMDSAKSKYIVFLPQVLKH--LDVGGVVVLDDIFQGGDIAKPI------DEVRRGQRTIYRGLQRLFDSTLRHPDLTATLVPLGDGLLMIRKNAEHIVLED
4YMH Chain:B ((2-236))
-------LGSILPFNEETADRVSAYCEKNSHGIPDALVEHWEWTRTRFPDADKMSSRLQGSWMIFTARDRKPKRILEIGCYSGYSALAWYEGTRDTKAEIVTLEYSPKMIAASREAFKKYGVGDRVKLIEGPAENTLKTLEGEFDLIFVDANKDGYAGYVKTILDQGLLSANGIILCDNVFARGLTIGPDCAPWLNDHVRPYWNGCGQALDKFSAGLMEDPRIDVLLLPVFDGVTQIRWKDG------
General information:
TITO was launched using:
RESULT:
Template:
4YMH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114949 for 1710 contacts (-67.2/contact) +
2D Compatibility (PS) -24570 + (NN) -16405 + (LL) 1264
1D Compatibility (HY) -10400 + (ID) 2750
Total energy: -167810.0 ( -98.13 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_4YMH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMH-query.scw
PDB file :
Tito_Scwrl_4YMH.pdb
: