Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLK-ELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQK-TAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
2DFN Chain:A ((12-166))
-GSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAG-HTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL--
General information:
TITO was launched using:
RESULT:
Template:
2DFN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46549 for 1155 contacts (-40.3/contact) +
2D Compatibility (PS) -17014 + (NN) -8862 + (LL) 248
1D Compatibility (HY) -7200 + (ID) 2850
Total energy: -82227.0 ( -71.19 by residue)
QMean score : 0.626
(partial model without unconserved sides chains):
PDB file :
Tito_2DFN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DFN-query.scw
PDB file :
Tito_Scwrl_2DFN.pdb
: