Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYELVFLAAGQGKRMNAQKNKMWLELVGEPIFIHALRPFLADNRCSKVIVVCQEEERKHVKELMSQLNVAEHRIEIVKGGSERQYSVAAGLE-RCGTGR--VVLVHDGARPFITLDIIDRLLIGVEQSKAAICAV-KVKDTVKRV-MNGVVQETVDRENLWQVQTPQAFELPILRKAHQLARKEQFLG--TDEASLVERIPCPVAIVQGSYYNIKLTTPEDMPLAKAILGELGGIAND
3Q80 Chain:B ((14-229))
--------AAGSGERLAVGVPKAFYQLDGQTLIERAVDGLLDSGVVDTVVVAVPADRTDEARQILG------HRAMIVAGGSNRTDTVNLALTVL----EPEFVLVHDAARALTPPALVARVVEALRDGYAAVVPVLPLSDTIKAVDANGVVLGTPERAGLRAVQTPQGFTTDLLLRSYQR----LPAAEYTDDASLVEHIGGQVQVVDGDPLAFKITTKLDLLLAQAIV---------
General information:
TITO was launched using:
RESULT:
Template:
3Q80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122027 for 1535 contacts (-79.5/contact) +
2D Compatibility (PS) -21871 + (NN) -7398 + (LL) 1788
1D Compatibility (HY) -14800 + (ID) 3550
Total energy: -167858.0 ( -109.35 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_3Q80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q80-query.scw
PDB file :
Tito_Scwrl_3Q80.pdb
: