Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKMMVMGSVGCGKTTLCQKLHGYDIL--YKKTQAV----------------------EYFQEMIDTPGEFVQHRQLYSALTVTAADASVIAILQSVTEKKQTFS-PMFAS-------IFAKPVIGIVTKVDLAESDK-DIERAERELRMAGAKHIFYISSVEETGIEELRAYLED
3BC1 Chain:A ((12-180))
-IKFLALGDSGVGKTSVLYQYTDGKFNSKFITTVGIDFREKRVVYRANGPDGAVGRGQRIHLQLWDTAGL----ERFRSLTTAFFRDAMGFLLLFDLTNEQSFLNVRNWISQLQMHAYSENPDIVLCGNKSDLEDQRAVKEEEARELAEKYGI-PYFETSAANGTNISHAIEMLL-
General information:
TITO was launched using:
RESULT:
Template:
3BC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54832 for 1026 contacts (-53.4/contact) +
2D Compatibility (PS) -14335 + (NN) 1016 + (LL) 652
1D Compatibility (HY) -3200 + (ID) 1400
Total energy: -72099.0 ( -70.27 by residue)
QMean score : 0.354
(partial model without unconserved sides chains):
PDB file :
Tito_3BC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BC1-query.scw
PDB file :
Tito_Scwrl_3BC1.pdb
: