Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIKVGVIGCSGRMGKRILNELI-TNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGI---ESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQ--HSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
4YWJ Chain:B ((11-273))
---RIAVVGAAGRMGKNLIEAVQQTGGAAGLTAAVDRPDSTLVGADAGE-LAGLGRIGVPLSGDLGKVCEEFDVLIDFTHPSVTLKNIEQCRKARRAMVIGTTGFSADEKLLLAEAAKDIPIVFAANFSVGVNLCLKLLDTAARVLGDEVDIEIIEAHHRHKVDAPSGTALRMGEVVAQALGRDLQEVAVYGREGQTGARARETIGFATVRAGDVVGDHTVLFAAEGERVEITHKASSRMTFARGAVRAALWL-EGKEN--GLYDMQDVL
General information:
TITO was launched using:
RESULT:
Template:
4YWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -196212 for 2092 contacts (-93.8/contact) +
2D Compatibility (PS) -27625 + (NN) -12534 + (LL) 624
1D Compatibility (HY) -22000 + (ID) 5600
Total energy: -263347.0 ( -125.88 by residue)
QMean score : 0.464
(partial model without unconserved sides chains):
PDB file :
Tito_4YWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YWJ-query.scw
PDB file :
Tito_Scwrl_4YWJ.pdb
: