Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKIIEVNNVSYHYDK-EHALENIHFQVAKGSFTGLIGPNGSGKSTMLKLILGVLKKQQGSISLFGEKQAD-----FKDWVKIGFVSQKSNAFNSAFPATVKEVVASGLTKKKGLFKTLNNKDKEDIDYALKRVEMTDYLHRNIGELSGGQQQRVFIARALVSRPELLILDEPTVGVDVENVKAFYELLAELNRTEEMTLLLVTHDLMAVNTYVNHVISI-NKRIIFDGSAHEYQHYLADRELEILAEQRRREDACLDCDASPV
3GFO Chain:A ((5-236))
-DYILKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDN--QLFSASVYQDVSFGAVNMK----LPEDEIRKRVDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKE-------------------------
General information:
TITO was launched using:
RESULT:
Template:
3GFO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140187 for 1804 contacts (-77.7/contact) +
2D Compatibility (PS) -23988 + (NN) -8788 + (LL) 2392
1D Compatibility (HY) -17200 + (ID) 3650
Total energy: -191421.0 ( -106.11 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3GFO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFO-query.scw
PDB file :
Tito_Scwrl_3GFO.pdb
: