Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTFLGNSVTFTGKQLQVGDIAKDFLLIATDLSQKSLKDFEGKKKVISVVPSIDTGICSKQTRTFNEELSELDNTVVITVSMDLPFAQKRWCSAEGLDNVILLSDFYDHSFGQDYALLMNEWH---LLTRAVLILDEHNKVTYTEYVDNVNSDVDYEAAINAAKILP
3HVS Chain:B ((6-166))
---FQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVCAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA--
General information:
TITO was launched using:
RESULT:
Template:
3HVS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81886 for 1243 contacts (-65.9/contact) +
2D Compatibility (PS) -16426 + (NN) 2454 + (LL) 692
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -112416.0 ( -90.44 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3HVS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HVS-query.scw
PDB file :
Tito_Scwrl_3HVS.pdb
: