Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKVIGLTGGIASGKSTVSELLSVFGFKVVDADKAAREAVKKGSKGLAQVREVFGDEAIDENGEMNRRYMGDLVFNHPEKRLELNAIIHPIVRDIMEEEKQEYLKQGYNVIMDIPLLFENELENTVDEVWVVYTSESIQMDRLMQRNNLSLEDAKARVYSQISIDKKSRMADHVIDNLGDKLELKQNLERLLEEEGYIEKPNYGEED
4TTR Chain:A ((19-203))
----VGLTGNIASGKSTVAEFFSELGINVIYADKIAKELTSKNTPCYQDIISHFGSSVVLNNGELDRKRIRDIIFSNSNERLWLESLLHPVIRKKIEE--QLIVCTSPYCLIEIPLLFNKHHYPYLQKVLLVIAPLESQLDRIVKRDHCTKKQALAILATQPNLEQRLEAADDVLINESGLSELKAKVNKL----------------
General information:
TITO was launched using:
RESULT:
Template:
4TTR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53492 for 1305 contacts (-41.0/contact) +
2D Compatibility (PS) -20297 + (NN) -6650 + (LL) 1104
1D Compatibility (HY) -15200 + (ID) 3050
Total energy: -97585.0 ( -74.78 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_4TTR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TTR-query.scw
PDB file :
Tito_Scwrl_4TTR.pdb
: