Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
4C8I Chain:A ((24-179))
-VRIGQGYDVHQLVEGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHF----------DSRVLLRACAERVKAAGFTIQNVDSTVIAQAPKLAPHIDGMRANIAADLGLPLERVNVKAKTNEKLGYLGRGEGIEAQAAALLVK
General information:
TITO was launched using:
RESULT:
Template:
4C8I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105493 for 1252 contacts (-84.3/contact) +
2D Compatibility (PS) -16153 + (NN) -8758 + (LL) 632
1D Compatibility (HY) -12800 + (ID) 4300
Total energy: -146872.0 ( -117.31 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_4C8I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4C8I-query.scw
PDB file :
Tito_Scwrl_4C8I.pdb
: