Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKMMVMGSVGCGKTTLCQKLHGYDIL--YKKTQA--------VE---YFQEMIDTPGEFVQHRQLYSALTVTAADASVIAILQSVTEKKQTFS-PMF----AS---IFAKPVIGIVTKVDLAESDK-DIERAERELRMAGAKHIFYISSVEETGIEELRAYLED
3X1X Chain:A ((4-162))
-YKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDAQQCMLEILDTAGTE----QFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTDDVPMILVGNKCDLEDERVVGKEQGQNLARQWSNCAFLESSAKSKINVNEIFYDLV-
General information:
TITO was launched using:
RESULT:
Template:
3X1X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57456 for 1049 contacts (-54.8/contact) +
2D Compatibility (PS) -14997 + (NN) -3430 + (LL) 556
1D Compatibility (HY) -5200 + (ID) 1450
Total energy: -81977.0 ( -78.15 by residue)
QMean score : 0.266
(partial model without unconserved sides chains):
PDB file :
Tito_3X1X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3X1X-query.scw
PDB file :
Tito_Scwrl_3X1X.pdb
: