Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LDKEIKYAFVTGASGEIGQAICMSLARAGWNLYLHYYQNKETVEKLLPLLQAEEVD----VILIQADFDDLASLTEIEKQVFQLDAFIHAAGHAHYSLFQDTTDTNIAELWNVHMFMPMRLIRTFMPKLMKSSQGRIIFISSIWGEVGASMEVAYSTVKGAQIAFCRALSQEVGLSGITVNAVTPGVVETKMMDQFSEEEKDNLRQEIPLNRFAQPEEIAETVAFLTSKKASYITGEVLRLNGGWLM
4AG3 Chain:A ((28-268))
-----KVALVTGASRGIGQAIALELGRLGA-VVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
4AG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -194177 for 2031 contacts (-95.6/contact) +
2D Compatibility (PS) -25390 + (NN) -4233 + (LL) 392
1D Compatibility (HY) -14800 + (ID) 4200
Total energy: -242408.0 ( -119.35 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_4AG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AG3-query.scw
PDB file :
Tito_Scwrl_4AG3.pdb
: