Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATHLSFRQGVQECIPTLLGYAGVGISFGIVASSQNFSILEIILLCLVIYAGAAQFIMCALFIAGTPISAIVLTVFIVNSRMFLLSMSLAPNFKTYGFWNRVGLGSLVTDETFGVAITPYLKGEAINDRWMHGLNITAYLFWA--ISCVAGALFGEYISNPQTLGLDFAITAMFIF--LAIAQFESITKSRLRIYIVLIIAVIVMMLSLSMFMPSYLAILIAATISAALGVMMER
4PGR Chain:A ((9-215))
HESKQSIMQRILTVFVFTLLIATVGLFIGQFVPVALMLPLSILEVAMIILAFWMR--------RRKAVGYAFVYTFAFVSGITLFPIVSHYASIA---------GAYVVLEAFGSTFVIFAVLGTIGAKMKKDLSFLWSFLLVAVLALAVVGIFNIFSPLNSAAMMAYSVIGTIVFSLYILYDLNQIKHRHITEDLIPVMALSLYLDFINLFINLLRFFGILSS-----------
General information:
TITO was launched using:
RESULT:
Template:
4PGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -214340 for 1534 contacts (-139.7/contact) +
2D Compatibility (PS) -20792 + (NN) -42 + (LL) 2960
1D Compatibility (HY) -17200 + (ID) 1350
Total energy: -250764.0 ( -163.47 by residue)
QMean score : 0.280
(partial model without unconserved sides chains):
PDB file :
Tito_4PGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PGR-query.scw
PDB file :
Tito_Scwrl_4PGR.pdb
: