Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---AITCSQVSSYLAPCIPYLRG---------SGGAVPSNCCSGIKNLNGAAQTSQDRKAACGC-----------IKNAAGSISGINYALASQMPS---KCGVSIPYQISPNIDCNSVN
4HR1 Chain:A ((3-120))
FNGAQTVIQKISWLRTAIAFLKGYMETTGATKKELEQVEKLKERVDEIATAVNWDVYAQYARGDFNLLSDDEYKEIQKALLVLEDIKEQIIVEMLRVGLAQGQMGTLKISDYLDSLDS-
General information:
TITO was launched using:
RESULT:
Template:
4HR1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41097 for 561 contacts (-73.3/contact) +
2D Compatibility (PS) -8873 + (NN) 7531 + (LL) -80
1D Compatibility (HY) -1600 + (ID) 950
Total energy: -45069.0 ( -80.34 by residue)
QMean score : 0.350
(partial model without unconserved sides chains):
PDB file :
Tito_4HR1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HR1-query.scw
PDB file :
Tito_Scwrl_4HR1.pdb
: