Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAENSKIAYLPSED-----FLPNMVICDYFRIYHSF-FP---------DFDQEKAKQMIRSFGIN--IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLKE-DATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRKSVMDYYREVFGHA
2IT1 Chain:A ((4-214))
-----IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKD-VTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDK-KVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQ--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158023 for 1473 contacts (-107.3/contact) +
2D Compatibility (PS) -20808 + (NN) -7235 + (LL) 2716
1D Compatibility (HY) -16000 + (ID) 3150
Total energy: -202500.0 ( -137.47 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: