Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLK-ELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQK-TAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
2IYR Chain:A ((12-166))
-GSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAG-HTVVYLEISAAEGVRRTGGNT-----AGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL--
General information:
TITO was launched using:
RESULT:
Template:
2IYR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40915 for 1068 contacts (-38.3/contact) +
2D Compatibility (PS) -16162 + (NN) -5126 + (LL) 628
1D Compatibility (HY) -6400 + (ID) 2750
Total energy: -70725.0 ( -66.22 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_2IYR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYR-query.scw
PDB file :
Tito_Scwrl_2IYR.pdb
: