Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDAALRYPNILFDLDGTLTDPREGITRSVQFALARLGIDEPDLARLEHFIGPPLLQ----CF---MQT--YGFDEARAWEAVNHYRERFRVTGLYENRVFDGIPELLEALVGRGHTLYVATSKPGVFAREIARHFAFDRHFKAIYGSELDGTRTHKEELIRHLLDSEGLAAEHCLMIGDRMHDLLGASRNGVACIGVGYGFGSEDELRAHQPTHYCADLAALRQVLESH
2HSZ Chain:A ((20-243))
----MTQFKLIGFDLDGTLVNSLPDLALSINSALKDVNLPQASENLVMTWIGNGADVLSQRAVDWACKQAEKELTEDEFKYFKRQFGFYYGENLCNISRLYPNVKETLEALKAQGYILAVVTNKPTKHVQPILTAFGIDHLFSEMLGGQSLPEIKPHPAPFYYLCGKFGLYPKQILFVGDSQNDIFAAHSAGCAVVGLTYGYNYNIPIAQSKPDWIFDDFADILKITQ--
General information:
TITO was launched using:
RESULT:
Template:
2HSZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143974 for 1832 contacts (-78.6/contact) +
2D Compatibility (PS) -23733 + (NN) -14888 + (LL) 392
1D Compatibility (HY) -13200 + (ID) 2350
Total energy: -197753.0 ( -107.94 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_2HSZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HSZ-query.scw
PDB file :
Tito_Scwrl_2HSZ.pdb
: