Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKIFDTHTHLNVENFEGKIDEEINLASELGVTKMNVVGFDQDTISKSLELSSQYAQVYSTIGWHPTEAGSYDDNIESMIISHLENPKVIALGEIGLDYYWMEDPKDIQIEVFKRQIELSKEYNLPFVVHTRDALEDTYEVIKESGVGPFGGIMHSFSGSLEMAQKFIDLGMMISFSG-VVTFKKALDVQEAARELPLDKILVETDAPYLAP---VPK-RGRENKTAYTRYVVEKIAELRGITVEEVAEATYQNAVRIFRLDEKN
4PE8 Chain:A ((1-256))
---MFDIGVNLTSSQFAKDRDDVVACAFDAGVNGLLITGTNLRESQQAQKLARQYSSCWSTAGVHPHDSSQWQAATEEAIIELAAQPEVVAIGECGLDFNRNFSTPEEQERAFVAQLRIAADLNMPVFMHCRDAHERFMTLLEPWLDKLPGAVLHCFTGTREEMQACVAHGIYIGITGWVCDERRGLELRELLPLIPAEKLLIETDAPYLLPRDLTPKPSSRRNEPAHLPHILQRIAHWRGEDAAWLAATTDANVKTLFGIAF--
General information:
TITO was launched using:
RESULT:
Template:
4PE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118630 for 2215 contacts (-53.6/contact) +
2D Compatibility (PS) -27167 + (NN) -10372 + (LL) 752
1D Compatibility (HY) -11200 + (ID) 3700
Total energy: -170317.0 ( -76.89 by residue)
QMean score : 0.655
(partial model without unconserved sides chains):
PDB file :
Tito_4PE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PE8-query.scw
PDB file :
Tito_Scwrl_4PE8.pdb
: