Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQ-GFNLKLTDFGFAKVLPKSH-RELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIP-KML-WQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2YEX Chain:A ((7-267))
-------EDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVD-CPE-NIKKEICINKMLNHENVVKFYGHRRE-GNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKP
General information:
TITO was launched using:
RESULT:
Template:
2YEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132793 for 2038 contacts (-65.2/contact) +
2D Compatibility (PS) -27822 + (NN) -14792 + (LL) 1040
1D Compatibility (HY) -19200 + (ID) 3850
Total energy: -197417.0 ( -96.87 by residue)
QMean score : 0.411
(partial model without unconserved sides chains):
PDB file :
Tito_2YEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YEX-query.scw
PDB file :
Tito_Scwrl_2YEX.pdb
: