Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEPKYQRILIKLSGEALAGDKGVGIDIPTVQSIAKEIAEVHNSGVQIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQYGVDTRVQTAIPMQTVAEPYVRGRALRHLEKDRIVVFGAGIGSPYFSTDTTAALRAAEIEAEAILMAKNGVDGVYNADPKKDANAVKFDELTHVEVIKRGLKIMDATASTISMDNDIDLVVFNMNETGNIKRVVLGEQIGTTVSNKASE
2BND Chain:A ((6-240))
-KPVYKRILLKLSGEALQGTEGFGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGMNRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNAVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATK-VDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLITE----
General information:
TITO was launched using:
RESULT:
Template:
2BND.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171438 for 2022 contacts (-84.8/contact) +
2D Compatibility (PS) -25709 + (NN) -12353 + (LL) 136
1D Compatibility (HY) -22000 + (ID) 5550
Total energy: -236914.0 ( -117.17 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_2BND.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BND-query.scw
PDB file :
Tito_Scwrl_2BND.pdb
: