Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRPTNNKFILPIITFIIFLGIWEMVIIIGHYQPVLLPGPALVGKSIWTFIVTGEIFQHLAISLWRFVAGFVVALLVAIPLGFLLGRNR--------WLYNAIEPLFQLIRPISPIAWAPFVVLWFG------IGSLPAIAIIFIAAFFPIVFNTIKGVRDIEPQYLKIAANLNLTGWSLYRNILFPGAFKQIMAGIHMAVGTSWIFLVSGEMIGAQSGLGFLIVDARNM-LNLEDVLAAIFFIGLFGFIIDRFISYIEQFILRRFGE
3TUI Chain:A ((7-216))
-----------------------------------------------------WLLVRGVWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVENALLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVGA-GGLGQIGYQYGYIGYNATVMNTVLVLLVILVYLIQFAGDRIVRAVTR----
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -218157 for 1523 contacts (-143.2/contact) +
2D Compatibility (PS) -20322 + (NN) -4721 + (LL) 4848
1D Compatibility (HY) -15600 + (ID) 1700
Total energy: -255652.0 ( -167.86 by residue)
QMean score : 0.326
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: