Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRIIGGVAGGRRIAVPPRGTRPTTDRVRESLFNIVTARRDLTGLAVLDLYAGSGALGLEALSRGAASVLFVESDQRSAAVIARNIEALGLSGATLRRGAVAAVV--AAGTTSPVDLVLADPPYNVDSADVDAILAALGTNGWTREGTVAVVERATTCAPLTWPEGWRRWPQRVYGDTRLELAERLFANV
1WS6 Chain:A ((15-184))
VVRILGGKARGVALKVPA-SARPSPVRLRKALFDYLRLRYPRRG-RFLDPFAGSGAVGLEAASEGWEAVL-VEKDPEAVRLLKENVRRTGL-GARVVALPVEVFLPEAKAQGERFTVAFMAPPY---AMDLAALFGELLASGLVEAGGLYVLQHPKD---LYLPLGER----RVYGENALTLVE------
General information:
TITO was launched using:
RESULT:
Template:
1WS6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49872 for 1368 contacts (-36.5/contact) +
2D Compatibility (PS) -18133 + (NN) -11298 + (LL) 1512
1D Compatibility (HY) -6000 + (ID) 2350
Total energy: -86141.0 ( -62.97 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_1WS6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WS6-query.scw
PDB file :
Tito_Scwrl_1WS6.pdb
: