Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTNPTFGEKIDNVDYRSRFGVYAIIPNPTHDKIILVQ-APNGAWFLPGGEIEENENHLEALTRELIEELGYSATI---------------GHYYGQADEYFYSRHRDTYYYNPAYIYEVTAYHKEQAPLEDFNHLAWFP----IQEAKEKLKRGSHRWGVQAWEKNHHSRK
1K2E Chain:A ((1-152))
-----------------MIVTSGVL--VENGKVLLVKHKRLGVYIYPGGHVEHNETPIEAVKREFEEETGIVVEPIGFTYGIIDENAVERPMPLVILEEVVKYPEETHIHFDLIYLVKRVGGDLKNGEWIDVREIDRIETFPNVRKVVSLALSTLYRLGKISKLAAALEHH
General information:
TITO was launched using:
RESULT:
Template:
1K2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60272 for 904 contacts (-66.7/contact) +
2D Compatibility (PS) -14692 + (NN) -10193 + (LL) 328
1D Compatibility (HY) -6000 + (ID) 1100
Total energy: -91929.0 ( -101.69 by residue)
QMean score : 0.301
(partial model without unconserved sides chains):
PDB file :
Tito_1K2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K2E-query.scw
PDB file :
Tito_Scwrl_1K2E.pdb
: