Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQKTFIKVTCSILTISDTRNL-------DTDTSGQLIQSALETAGHEVISRVVVPDDVTLIKQKINELAA-NGSFCLITNGGTGIARRDVTYEALFATIQQEIPGFGEIFRMLSYEE--VGSRAMVSRAFAGFSESGLLLFALPGSSNACQLAVQKLIIPELPHLIAERQK
3IWT Chain:A ((13-177))
-----PKSLNFYVITISTSRYEKLLKKEPIVDESGDIIKQLLIENGHKIIGYSLVPDDKIKILKAFTDALSIDEVDVIISTGGTGYSPTDITVETIRKLFDREIEGFSDVFRLVSFNDPEVKAAAYLTKASAGII-GKKIVYLLPGSPDAVKLALKELILPEVGHLVYLVR-
General information:
TITO was launched using:
RESULT:
Template:
3IWT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118378 for 1298 contacts (-91.2/contact) +
2D Compatibility (PS) -16538 + (NN) -4777 + (LL) 716
1D Compatibility (HY) -14000 + (ID) 2500
Total energy: -155477.0 ( -119.78 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3IWT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IWT-query.scw
PDB file :
Tito_Scwrl_3IWT.pdb
: