Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSNYFALFKIEPAFNISLDELEKKYIELSK-------TDINERQS----QNMENINKAYQVLKSPLKRAEHLLNLFGVRSQEDQHNFE------ILNESMEIREYLLDCNNLQLASGMIDEKI----KDCIKNLTNNFAVKNFDEAAMQVLRLKYLYKSFEEIKNETNSNF
4IT5 Chain:A ((4-165))
--MNYFELFGLPIQFELDGSLLSSQFRALQKRFHPDNFATASERDRLMAVQQAAQINDAYQTLKDPLRRAEYLLSLQGIEMN------QDPMFLMEQMELREELESVTACADPEAALVAFDTKVTAMQRHYLAQLQGQLAQSEWLAAADQIRKLKFIAK----LKNEVERVE
General information:
TITO was launched using:
RESULT:
Template:
4IT5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45681 for 809 contacts (-56.5/contact) +
2D Compatibility (PS) -14854 + (NN) -11755 + (LL) 736
1D Compatibility (HY) -5200 + (ID) 2300
Total energy: -79054.0 ( -97.72 by residue)
QMean score : 0.713
(partial model without unconserved sides chains):
PDB file :
Tito_4IT5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IT5-query.scw
PDB file :
Tito_Scwrl_4IT5.pdb
: