Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAINIIEYNRSYKEELIEFILSIQKNEFNIKI--DRDDQPDLENIEHNYLNSGGQFWLAINNHQNIVGTIGLIRLDN---NMSALKKMFVDKGYRNLKIGKKLLDKVIMTCKEQNIDGIYLGTIDKFISAQYFYSNNGFREIKRGDLPSSFPKLDVDNRFYYRNLKD
2GE3 Chain:A ((6-169))
DTVTIKPIRAEHVESFHRALDAVSRERKYLSFLEAPPLEAVRAFVLDMIEN-DHPQFVAIAD-GDVIGWCDIRRQDRATRAHCGTLGMGILPAYRNKGLGARLMRRTLDAAHEFGLHRIELSVHADNARAIALYEKIGFAHEGRARDAVSIDGHYIDSLNMAIIFG-
General information:
TITO was launched using:
RESULT:
Template:
2GE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60370 for 1143 contacts (-52.8/contact) +
2D Compatibility (PS) -16896 + (NN) -6464 + (LL) -60
1D Compatibility (HY) -2000 + (ID) 1200
Total energy: -86990.0 ( -76.11 by residue)
QMean score : 0.347
(partial model without unconserved sides chains):
PDB file :
Tito_2GE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GE3-query.scw
PDB file :
Tito_Scwrl_2GE3.pdb
: