Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQILEDYDGRALPKLETDRLILRQRTVGDVPAMFDYVCLEEVAYPAGLSPIASLEDEYDYFENRYYQNLEKAKLPSGYGITVKGSDRIIGSCAFNHRR-EDDVFEIGYLLHPDYWGHGYMTEAVAALIEVGFTLLNLHKIEIRCYDYNKQSQRVAEKLGFTLEATIRDRKDNQGNRCVNLIYGLLRSEWE
1S7K Chain:A ((3-178))
-----------EIIPVSTTLELRAADESHVPALHQLVLKN----------------TRKHVQGNILLHQ-RG--YAKMYLI-FCQNEMAGVLSFNAIEPINKAAYIGYWLDESFQGQGIMSQSLQALMTHYARRGDIRRFVIKCRVDNQASNAVARRNHFTLEGCMKQAEYLNGDYHDVNMYARIIDAD-
General information:
TITO was launched using:
RESULT:
Template:
1S7K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63279 for 1141 contacts (-55.5/contact) +
2D Compatibility (PS) -16620 + (NN) -6336 + (LL) 2412
1D Compatibility (HY) -4800 + (ID) 1550
Total energy: -90173.0 ( -79.03 by residue)
QMean score : 0.359
(partial model without unconserved sides chains):
PDB file :
Tito_1S7K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S7K-query.scw
PDB file :
Tito_Scwrl_1S7K.pdb
: