Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
3UXM Chain:A ((3-185))
---LFVTLEGPEG----TNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLAR------R-LDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDA--------------------
General information:
TITO was launched using:
RESULT:
Template:
3UXM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36998 for 1334 contacts (-27.7/contact) +
2D Compatibility (PS) -18827 + (NN) -10057 + (LL) 2756
1D Compatibility (HY) -11600 + (ID) 3750
Total energy: -78476.0 ( -58.83 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_3UXM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UXM-query.scw
PDB file :
Tito_Scwrl_3UXM.pdb
: