Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGI---ESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNI--REKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
3IJP Chain:B ((22-284))
--MRLTVVGANGRMGRELITAIQRRKDVELCAVLVRKGSSFVDKD-ASILIGSDFLGVRITDDPESAFSNTEGILDFSQPQASVLYANYAAQKSLIHIIGTTGFSKTEEAQIADFAKYTTIVKSGNMSLGVNLLANLVKRAAKALDDDFDIEIYEMHHANKVDSPSGTALLLGQAAAEGRNIMLKNVSVNGRSGHTGKREKGTIGFACSRGGTVIGDHSITFAGENERIVLSHIAQERSIFANGALKAALWA---KNHENGLYSMLDVL
General information:
TITO was launched using:
RESULT:
Template:
3IJP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183678 for 2133 contacts (-86.1/contact) +
2D Compatibility (PS) -27935 + (NN) -14218 + (LL) 592
1D Compatibility (HY) -16400 + (ID) 5100
Total energy: -246739.0 ( -115.68 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_3IJP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IJP-query.scw
PDB file :
Tito_Scwrl_3IJP.pdb
: