Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLR-VFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAV-PVKDTIKRVQ-DLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLG------TDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
3Q80 Chain:B ((11-229))
-----IVPAAGSGERLAVGVPKAFYQLDGQTLIERAVDGLLDSGVVDTVVVAVPADRTDEA-RQILGHRAM-----IVAGGSNRTDTVNLALTVL-EPEFVLVHDAARALTPPALVARVVEALRDGYAAVVPVLPLSDTIKAVDANGVVLGTPERAGLRAVQTPQGFTTDLLLRSY----QR----LPAAEYTDDASLVEHI-GGQVQVVDGDPLAFKITTKLDLLLAQAIV---------
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) -95525 for 1613 contacts (-59.2/contact) +
2D Compatibility (PS) -21829 + (NN) -6936 + (LL) 1800
1D Compatibility (HY) -16400 + (ID) 3850
Total energy: -142740.0 ( -88.49 by residue)
QMean score : 0.472
(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
: