Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLK-ELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQK-TAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
1WE2 Chain:A ((12-166))
-GSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAG-HTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL--
General information:
TITO was launched using:
RESULT:
Template:
1WE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48052 for 1169 contacts (-41.1/contact) +
2D Compatibility (PS) -16510 + (NN) -5678 + (LL) 248
1D Compatibility (HY) -7200 + (ID) 2850
Total energy: -80042.0 ( -68.47 by residue)
QMean score : 0.590
(partial model without unconserved sides chains):
PDB file :
Tito_1WE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WE2-query.scw
PDB file :
Tito_Scwrl_1WE2.pdb
: