Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRIAVVGAAGRMGKNLIEAVQQTGGAAGLTAAVDRPDSTLVGADAGELAGLGRIGVPLSGDLGKVCEEFDVLIDFTHPSVTLKNIEQCRKARRAMVIGTTGFSADEKLLLAEAAKDIPIVFAANFSVGVNLCLKLLDTAARVLGDEVDIEIIEAHHRHKVDAPSGTALRMGEVVAQALGRDLQEVAVYGREGQTGARARETIGFATVRAGDVVGDHTVLFAAEGERVEITHKASSRMTFARGAVRAALWLEGKENGLYDMQDVLGLR
4F3Y Chain:A ((9-272))
--KIAIAGASGRMGRMLIEAVLAAPDAT-LVGALDRTGSPQLGQDAGAFLG-KQTGVALTDDIERVCAEADYLIDFTLPEGTLVHLDAALRHDVKLVIGTTGFSEPQKAQLRAAGEKIALVFSANMSVGVNVTMKLLEFAAKQFAQGYDIEIIEAHHRHKVDAPSGTALMMGETIAAATGRSLDDCAVYGRHGVTGERDPSTIGFSAIRGGDIVGDHTVLFAGIGERIEITHKSASRVSYAQGALRAARFLAGRDAGFFDMQDVLGLR
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) -186392 for 2135 contacts (-87.3/contact) +
2D Compatibility (PS) -28815 + (NN) -12621 + (LL) 312
1D Compatibility (HY) -23200 + (ID) 7400
Total energy: -258116.0 ( -120.90 by residue)
QMean score : 0.532
(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
: