Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
4OCA Chain:A ((8-216))
-SDF-LPFSRPAMGAEELAAVKTVLDSGWIT-TGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGT-AIFSFHAIANITCAEGGIVVTDN
General information:
TITO was launched using:
RESULT:
Template:
4OCA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110334 for 1519 contacts (-72.6/contact) +
2D Compatibility (PS) -21139 + (NN) -9788 + (LL) 276
1D Compatibility (HY) -11200 + (ID) 4050
Total energy: -156235.0 ( -102.85 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_4OCA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OCA-query.scw
PDB file :
Tito_Scwrl_4OCA.pdb
: