Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKTWEEFLKQEAKQPYFIELMEAVKDARAKGNVYPSEEDMFSCFRLCPYNQVKVVILGQDPYHGPGQAHGLSFSVQKDVRIPPSLRNIYKELKTDLD--IEPADHGYLAKWAEQGVLLMNTSWSVEEGKAGSHKKLGWATFTDHVLEELNNYDKPLVFILWGNHAIKAASGITNPQHLIIKGVHPSPLAASRGFFGSKPFSKTNAFLEEHERKPIDWDLNEQ
3TKB Chain:A ((6-220))
--ESWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEGFVHPG-HGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDW-----
General information:
TITO was launched using:
RESULT:
Template:
3TKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100393 for 1703 contacts (-59.0/contact) +
2D Compatibility (PS) -22920 + (NN) -12996 + (LL) 568
1D Compatibility (HY) -21200 + (ID) 5450
Total energy: -162391.0 ( -95.36 by residue)
QMean score : 0.718
(partial model without unconserved sides chains):
PDB file :
Tito_3TKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TKB-query.scw
PDB file :
Tito_Scwrl_3TKB.pdb
: