Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKNELNNKLNKLKHVQVYNKIFNMIQDGTYSPGMQLPSEPELAGQLNVSRATLRKSLALLQEDHLVKNIRGKGNFIRENSSNLSENGYENRQHPIKTCLTSK-ITEVELEFRVEVPAEAITASLKQET-PVVVIADRWYHTDDGPLAYTLSFIPIELISDAEISLHDTKQLLNFIEEGIYQEGISSHSQSHLGYATSGNFSATKYTLSDHGQFILIQETIFKQ-EKILMCNKHYVPIEHFELSITSH
3BWG Chain:A ((8-234))
---------------QQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYI-SLL-SNQG------DFNVTSKVIELDVRKPTPEAAENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIVTYLNNE-IVSHSIFHYIREGLGLKIGF--SDLFLHVGQLNEEEAEYLGLEAGLPKLYIESIFHLTNGQPFDYSKISYNYEQSQFVVQAN
General information:
TITO was launched using:
RESULT:
Template:
3BWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90096 for 1544 contacts (-58.4/contact) +
2D Compatibility (PS) -23432 + (NN) -8340 + (LL) 1316
1D Compatibility (HY) -11600 + (ID) 2000
Total energy: -134152.0 ( -86.89 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_3BWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWG-query.scw
PDB file :
Tito_Scwrl_3BWG.pdb
: