Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELA-TTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDT-TRPLVQQ--K-T-AEEIRAIFEPRIAHYQDSADFIVNTDNRNQ----QEVAQTILTMLDK
3VAA Chain:A ((34-197))
MGAGKTTLGKAFARKLNVPFIDLDWYIEERFHKTVGELFTERGEAGFRELERNMLHEVAEFENVVISTGGGAPCFYDNMEFMNRTGKTVFLNVHPDVLFRRLRIAKQQRPILQGKEDDELMDFIIQALEKRAPFYTQ-AQYIFNADELEDRWQIESSVQRLQELL--
General information:
TITO was launched using:
RESULT:
Template:
3VAA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50446 for 1089 contacts (-46.3/contact) +
2D Compatibility (PS) -16831 + (NN) -9996 + (LL) -40
1D Compatibility (HY) -10800 + (ID) 2600
Total energy: -90713.0 ( -83.30 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_3VAA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VAA-query.scw
PDB file :
Tito_Scwrl_3VAA.pdb
: