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:A ((14-229))
--------AAGSGERLAVGVPKAFYQLDGQTLIERAVDGLLDSGVVDTVVVAVPADRTDEARQILG------HRAMIVAGGSNRTDTVNLALTVLS---EPEFVLVHDAARALTPPALVARVVEALRDGYAAVVPVLPLSDTIKAVDANGVVLGTPERAGLRAVQTPQGFTTDLLLRSYQRGSL-----EYTDDASLVEHIGGQVQVVDGDPLAFKITTKLDLLLAQAIV---------
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) -119655 for 1545 contacts (-77.4/contact) +
2D Compatibility (PS) -21943 + (NN) -7957 + (LL) 1680
1D Compatibility (HY) -15200 + (ID) 3550
Total energy: -166625.0 ( -107.85 by residue)
QMean score : 0.520
(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
: