Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MDIKACYQNAQALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARALGVRFIFTERVDNTMTLRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLPSHLPLFALEDFVFDMHKPSSCPLCATSVAIKPGSRGN
4PAW Chain:A ((22-218))
HMDIKACYQNAKALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARALGVRFIFTERVDNTMALRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLPSHLPLFALEDFVFDMHKPSSCPLCATSVAIKP-----
General information:
TITO was launched using:
RESULT:
Template:
4PAW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173172 for 1621 contacts (-106.8/contact) +
2D Compatibility (PS) -21304 + (NN) -7089 + (LL) -352
1D Compatibility (HY) -28800 + (ID) 9700
Total energy: -240417.0 ( -148.31 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_4PAW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PAW-query.scw
PDB file :
Tito_Scwrl_4PAW.pdb
: