Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGI---ESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANAL--KVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
4F3Y Chain:A ((8-269))
--MKIAIAGASGRMGRMLIEAVLAAPDATLVGALDRTGSPQLGQDAGA--FLGKQTGVALTDDIERVCAEADYLIDFTLPEGTLVHLDAALRHDVKLVIGTTGFSEPQKAQLRAAGEKIALVFSANMSVGVNVTMKLLEFAAKQFAQGYDIEIIEAHHRHKVDAPSGTALMMGETIAAATGRSLDDCAVYGRHGVTGERDPSTIGFSAIRGGDIVGDHTVLFAGIGERIEITHKSASRVSYAQGALRAARFLAGRD---AGFFDMQDVL
General information:
TITO was launched using:
RESULT:
Template:
4F3Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -188279 for 2087 contacts (-90.2/contact) +
2D Compatibility (PS) -27928 + (NN) -11760 + (LL) 864
1D Compatibility (HY) -16800 + (ID) 5200
Total energy: -249103.0 ( -119.36 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_4F3Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4F3Y-query.scw
PDB file :
Tito_Scwrl_4F3Y.pdb
: