Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVIS-GEGGALLVNS
4ZAH Chain:E ((20-225))
---HMIPFNAPPVVGTELDYMQSAMGSGKLCGDGGFTRRCQQWLEQRFGSAKVLLTPSCTASLEMAALLLDIQPGDEVIMPSYTFVSTANAFVLRGAKIVFVDVRPDTMNIDETLIEAAITDKTRVIVPVHYAGVACEMDTIMALAKKHNLFVVEDAAQGVMSTYKGRALGTIGHIGCFSFHETKNYTAGGEGGATLIN-
General information:
TITO was launched using:
RESULT:
Template:
4ZAH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126985 for 1586 contacts (-80.1/contact) +
2D Compatibility (PS) -21377 + (NN) -10056 + (LL) 76
1D Compatibility (HY) -20400 + (ID) 6650
Total energy: -185392.0 ( -116.89 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_4ZAH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ZAH-query.scw
PDB file :
Tito_Scwrl_4ZAH.pdb
: