Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGEHQNVKLNRTVKAAVLTVSDTRDFVTDKGGQCVRQLLQADDVEVSDAHYTIVKDEKVAITTQVKKWLE-EDIDVIITTGGTGIAQRDVTIEAVKPLLTKEIEGFGELFRYLSY--VEDVGTRALLSRAVAGTVNNKLIFSIPGSTGAVKLALEKLIKPELNHLIHELTK
1Y5E Chain:A ((12-168))
----------KEVRCKIVTISDTRTEETDKSGQLLHELLKEAGHKV--TSYEIVKDDKESIQQAVLAGYHKEDVDVVLTNGGTGITKRDVTIEAVSALLDKEIVGFGELFRMISYLED--IGSSAMLSRAIGGTIGRKVVFSMPGSSGAVRLAMNKLILPELGHITFELHR
General information:
TITO was launched using:
RESULT:
Template:
1Y5E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111000 for 1272 contacts (-87.3/contact) +
2D Compatibility (PS) -16457 + (NN) -6310 + (LL) 500
1D Compatibility (HY) -16800 + (ID) 4100
Total energy: -154167.0 ( -121.20 by residue)
QMean score : 0.644
(partial model without unconserved sides chains):
PDB file :
Tito_1Y5E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Y5E-query.scw
PDB file :
Tito_Scwrl_1Y5E.pdb
: