Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
1B9I Chain:A ((63-199))
-----------------------------------------------------------THALELALQVMGVGPGTEVIVPAFTFISSSQAAQRLGAVTVPVDVDAATYNLDPEAVAAAVTPRTKVIMPVHMAGLMADMDALAKISADTGVPLLQDAAHAHGARWQGKRVGELDSIATFSFQNGKLMTAGEGGAVV---
General information:
TITO was launched using:
RESULT:
Template:
1B9I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104433 for 1142 contacts (-91.4/contact) +
2D Compatibility (PS) -14742 + (NN) -4601 + (LL) 3212
1D Compatibility (HY) -11200 + (ID) 2600
Total energy: -134364.0 ( -117.66 by residue)
QMean score : 0.273
(partial model without unconserved sides chains):
PDB file :
Tito_1B9I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B9I-query.scw
PDB file :
Tito_Scwrl_1B9I.pdb
: