Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQ-GFNLKLTDFGFAKVLPKSH-RELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIP-KMLW-QQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
3TKI Chain:A ((7-267))
-------EDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMK---------NIKKEICINKMLNHENVVKFYGHRRE-GNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKP
General information:
TITO was launched using:
RESULT:
Template:
3TKI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130932 for 1960 contacts (-66.8/contact) +
2D Compatibility (PS) -26677 + (NN) -11707 + (LL) 1116
1D Compatibility (HY) -19200 + (ID) 3850
Total energy: -191250.0 ( -97.58 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_3TKI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TKI-query.scw
PDB file :
Tito_Scwrl_3TKI.pdb
: