Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSADLTAHARIREAAIEQFGRHGFGVGLRAIAEAAGVSAALVIHHFGSKEGLRKACDDFVAEEIRSSKAAALKSNDPTTWLAQMAEIESYAPLMAYLVRSMQSGGELAKMLWQKMIDNAEEYLDEGVRAGTVKPSRDPRARARFLAITGGGGFLLYLQMHENPTDLRAALRDYAHDMVLPSLEVYTEGLLADRAMYEAFLAEAQQGEAHVG
4NN1 Chain:A ((6-210))
-----LTAHARIREAAIEQFGRHGFGVGLRAIAEAAGVSAALVIHHFGSKEGLRKACDDFVAEEIRSSKAAALKSNDPTTWLAQMAEIESYAPLMAYLVRSMQSGGELAKMLWQKMIDNAEEYLDEGVRAGTVKPSRDPRARARFLAITGGGGFLLYLQMHENPTDLRAALRDYAHDMVLPSLEVYTEGLLADRAMYEAFLAEAQQGEAH--
General information:
TITO was launched using:
RESULT:
Template:
4NN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70670 for 1348 contacts (-52.4/contact) +
2D Compatibility (PS) -23348 + (NN) -15460 + (LL) 368
1D Compatibility (HY) -25600 + (ID) 10250
Total energy: -144960.0 ( -107.54 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_4NN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NN1-query.scw
PDB file :
Tito_Scwrl_4NN1.pdb
: