Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
ATMAFHPMLCRLELSVSAAPPASPIDATLLRSLITSVLNSSWVDLGGNTANEKVLCAIGLIEAFCRERVIPPTSNSFNTSVTYHIMVEDLDPDDLGNIQLINKPLLSL-------EGDLKVLGSYQLTFQTIPGHSEPRSMTDNGIYHSDSPFFQIALGHALL-GTGKIYDHITRALRVAPITIAPEKRKEPLSSYMV
1BS4 Chain:A ((1-168))
--SVLQVLHIPDERLRKVAKPVEEVN-AEIQRIVDDMFETMYAEEG-----------IGLA--------------ATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA--
General information:
TITO was launched using:
RESULT:
Template:
1BS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39250 for 1191 contacts (-33.0/contact) +
2D Compatibility (PS) -16543 + (NN) -1625 + (LL) 2140
1D Compatibility (HY) -4800 + (ID) 1350
Total energy: -61428.0 ( -51.58 by residue)
QMean score : 0.138
(partial model without unconserved sides chains):
PDB file :
Tito_1BS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BS4-query.scw
PDB file :
Tito_Scwrl_1BS4.pdb
: