Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRIAVVGAAGRMGKNLIEAVQQTGGAAGLTAAVDRPDSTLVGADAGELAGLGRIGVPLSGDLGKVCEEFDVLIDFTHPSVTLKNIEQCRKARRAMVIGTTGFSADEKLLLAEAAKDIPIVFAANFSVGVNLCLKLLDTAARVLGDEVDIEIIEAHHRHKVDAPSGTALRMGEVVAQALGRDLQEVAVYGREGQTGARARETIGFATVRAGDVVGDHTVLFAAEGERVEITHKASSRMTFARGAVRAALWLEGKENGLYDMQDVLGLR
3IJP Chain:A ((23-286))
--RLTVVGANGRMGRELITAIQRRKDVE-LCAVLVRKGSSFVDKDASILIGSDFLGVRITDDPESAFSNTEGILDFSQPQASVLYANYAAQKSLIHIIGTTGFSKTEEAQIADFAKYTTIVKSGNMSLGVNLLANLVKRAAKALDDDFDIEIYEMHHANKVDSPSGTALLLGQAAAEGRNIMLKNVSVNGRSGHTGKREKGTIGFACSRGGTVIGDHSITFAGENERIVLSHIAQERSIFANGALKAALWAKNHENGLYSMLDVLGL-
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) -196930 for 2229 contacts (-88.3/contact) +
2D Compatibility (PS) -29022 + (NN) -14273 + (LL) 236
1D Compatibility (HY) -15600 + (ID) 5850
Total energy: -261439.0 ( -117.29 by residue)
QMean score : 0.537
(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
: