Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
1MDX Chain:A ((9-212))
--DF-LPFSRPAMGAEELAAVKTVLDSGWIT-TGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGT-AIFSFHAIKNITCAEGGIVVTDN
General information:
TITO was launched using:
RESULT:
Template:
1MDX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107589 for 1518 contacts (-70.9/contact) +
2D Compatibility (PS) -21073 + (NN) -8715 + (LL) 248
1D Compatibility (HY) -11200 + (ID) 4000
Total energy: -152329.0 ( -100.35 by residue)
QMean score : 0.388
(partial model without unconserved sides chains):
PDB file :
Tito_1MDX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1MDX-query.scw
PDB file :
Tito_Scwrl_1MDX.pdb
: