Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKLATICYIDN-GKELLLLHRNKKENDVHEGKWISVGGKLEAGETPDECAKREILEETHLTVKKMDFKGVITFPEFTPGHDWYTYVFKVTDYEGELISDDESREGTLEWVPYDQVLSKP-TWQGDYEIFKWILED-VPFFSAKFVYDEHQNLIEKTVNFYEK
3GRN Chain:A ((9-139))
---ISVYALIRNEKGEFLLLRRSE-NSRTNAGKWDLPGGKVNPDESLKEGVAREVWEETGITMVPGDIAGQVNFELTE--KKVIAIVFDGGYVVADVKL--SYEHIEYSWVSLEKILGMETLPAYFRDFFERFDRENKK------------------------
General information:
TITO was launched using:
RESULT:
Template:
3GRN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52463 for 930 contacts (-56.4/contact) +
2D Compatibility (PS) -13705 + (NN) -2532 + (LL) 2000
1D Compatibility (HY) -7200 + (ID) 1500
Total energy: -75400.0 ( -81.08 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3GRN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRN-query.scw
PDB file :
Tito_Scwrl_3GRN.pdb
: