Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKEKTSQLVQLAIVTAISIVLGMFISIPTPTGFLTLLDAG-------IFFAAFYFGKKEGAVVGALAGFLIDLLKGYPNWMFFSLLIHGAQGYLAGLPGRRRLLGLISATLVMVLGYAIASGLMY--GWGAVLPDIPGNIMQNMVGMVVGFALNKSLERVKK-
1AEP Chain:A ((6-158))
NIAEAVQQLNHTIVNAAHELHETLGL--PTPDEALNLLTEQANAFKTKIAEVTTSLKQEAEKHQGSVAEQLNAFARNLNNS------IHDAATSLNLQDQLNSLQSALTNVGHQWQDIATKTQASAQEAWAPVQSALQEAAEKTKEAAA---NLQNSIQSAVQK
General information:
TITO was launched using:
RESULT:
Template:
1AEP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105263 for 1051 contacts (-100.2/contact) +
2D Compatibility (PS) -14500 + (NN) 859 + (LL) 1124
1D Compatibility (HY) 5600 + (ID) 1250
Total energy: -113430.0 ( -107.93 by residue)
QMean score : 0.248
(partial model without unconserved sides chains):
PDB file :
Tito_1AEP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AEP-query.scw
PDB file :
Tito_Scwrl_1AEP.pdb
: