Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKITPPQPFLFEKGKRAVLLLHGFTGSSADVRILGRFLQENNYTCYAPQYRGHG-VSP-DLLLKTGPNDWWEDVLEAYDHLKSLGYTEIAVAGLSLGGLFSLKLGFSRPLKGIIA---MSTPTRMDSSSPIIQGFLDYVRNYKKLEGKTTEQIDAEMVAYKDAPMNTIAKLKDEISGVVAEIDMIYAPIMVVQGEKDDMVDVSGAQLIYDT-VESTKKELHWFKESGHVITLDKERKEVNQAILTFLDSLDWQE
3E1G Chain:A ((13-245))
-----PQPFEYEGTDTGVVLLHAYTGSPNDMNFMARALQRSGYGVYVPLFSGHGTVEPLDILTKGNPDIWWAESSAAVAHMTA-KYAKVFVFGLSLGGIFAMKA--LETLPGITAGGVFSSPI-LPGKHHLVPGFLKYAEYMNRLAGKSDE--STQILAYLPGQLAAIDQFA---TTVAADLNLVKQPTFIGQAGQDELVDGRLAYQLRDALINAARVDFHWYDDAKHVITVNSAHHALEEDVIAFM-------
General information:
TITO was launched using:
RESULT:
Template:
3E1G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109255 for 1938 contacts (-56.4/contact) +
2D Compatibility (PS) -23949 + (NN) -4668 + (LL) 1556
1D Compatibility (HY) -21200 + (ID) 3750
Total energy: -161266.0 ( -83.21 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3E1G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E1G-query.scw
PDB file :
Tito_Scwrl_3E1G.pdb
: