Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQLYYKYGTMNSGKTIEILKVAHNYEEQGKPVVIMTSALDTRDEFGVVSSRIGMRREAVPISDDMDIFSYIQN--LPQKPYCVLIDECQFLSKKNVYDLARVVDDLDVPVMAFGLKNDFQNNLFEGSKHLLLLADKIDEIKTICQYCSKKATMVLRTENGKPVY-EGDQIQIGGNETYIPVCRKHYFNPDI
2B8T Chain:A ((11-199))
IGWIEFITGPMFAGKTAELIRRLHRLEYADVKYLVFKPKIDTRSI-RNIQSRTGTSLPSVEVESAPEILNYIMSNSFNDETKVIGIDEVQFFDDR-ICEVANILAENGFVVIISGLDKNFKGEPFGPIAKLFTYADKITKLTAICNECGAEATHSLRKIDGKHADYNDDIVKIGCQEFYSAVCRHHHKVPNR
General information:
TITO was launched using:
RESULT:
Template:
2B8T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82707 for 1411 contacts (-58.6/contact) +
2D Compatibility (PS) -20535 + (NN) -11537 + (LL) 52
1D Compatibility (HY) -11600 + (ID) 2650
Total energy: -128977.0 ( -91.41 by residue)
QMean score : 0.392
(partial model without unconserved sides chains):
PDB file :
Tito_2B8T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B8T-query.scw
PDB file :
Tito_Scwrl_2B8T.pdb
: