Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLK-ELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQK-TAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
2G1K Chain:A ((12-166))
-GSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAG-HTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL--
General information:
TITO was launched using:
RESULT:
Template:
2G1K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48727 for 1102 contacts (-44.2/contact) +
2D Compatibility (PS) -16908 + (NN) -7767 + (LL) 248
1D Compatibility (HY) -7200 + (ID) 2900
Total energy: -83254.0 ( -75.55 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_2G1K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G1K-query.scw
PDB file :
Tito_Scwrl_2G1K.pdb
: