Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNVLVIGANGKIGRLLVEKLAMEKGFFVRAMVRKAEQVSELEKLGA-KPIIADLKKDFHYAYDEIEAVIFTAGSGGHTPASETVNIDQNGAIKAIETAKEKGVRRFIIVSSYGADNPENGPESLAHYLKAKQAADEELKKSGLDYTIVRPVGLSDDPATGKIAEVS--GKPKTNIPRADVADFISEALSEKSSFYKTYTIESGDTPIKQFFN
3E8X Chain:A ((22-232))
MRVLVVGANGKVARYLLSELKNK-GHEPVAMVRNEEQGPELRERGASDIVVANLEEDFSHAFASIDAVVFAAGSGPHTGADKTILIDLWGAIKTIQEAEKRGIKRFIMVSSVGTVDPDQGPMNMRHYLVAKRLADDELKRSSLDYTIVRPGPLSNEESTGKVTVSPHFSEITRSITRHDVAKVIAELVDQQHTIGKTFEVLNGDTPIAKVVE
General information:
TITO was launched using:
RESULT:
Template:
3E8X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107219 for 1746 contacts (-61.4/contact) +
2D Compatibility (PS) -23372 + (NN) -14421 + (LL) 64
1D Compatibility (HY) -17200 + (ID) 4850
Total energy: -166998.0 ( -95.65 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_3E8X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E8X-query.scw
PDB file :
Tito_Scwrl_3E8X.pdb
: