Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKSAEEIQRMSVAGALTAKVLEALDEVVRPGISTAEIDRFCERYIVDTLAAIPGSKGQYGYPFTVNTSVNEVVCHGWPSAQQILRDGDIVNVDVTVIKDGYFGDSSKMYRVGAIDRQAQKLLDVTRECLYRAIRVVRPDATLGDIGHAIQSHAEANGYSVVREYCGHGIGRKMHEAPQVLHFGRAGAGARLKAGMTFTIEPMINQGGHAVKLHKDGWTVTTRDRRLSAQYEHTVLVTERGCRVLTLRDEEREALADLAG
4JUQ Chain:B ((5-253))
-IKTPDDIEKMRIAGRLAAEVLEMIGEHIKPGVTTEELDRICHDYIVNEQKAIPAPLNYKGFPKSICTSINHVVCHGIPN-EKPLKEGDILNVDITVIKDGYHGDTSKMFLVGKTPEWADRLCQITQECMYKGISVVRPGAHLGDIGEIIQKHAEKNGFSVVREYCGHGIGKVFHEEPQVLHYGRAGTGIELKEGMIFTIEPMINQGRPETRLLGDGWTAITKDRKLSAQWEHTVLVTADGYEILTLRNDE---------
General information:
TITO was launched using:
RESULT:
Template:
4JUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136045 for 2175 contacts (-62.5/contact) +
2D Compatibility (PS) -27190 + (NN) -10622 + (LL) 1092
1D Compatibility (HY) -26000 + (ID) 7200
Total energy: -205965.0 ( -94.70 by residue)
QMean score : 0.464
(partial model without unconserved sides chains):
PDB file :
Tito_4JUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JUQ-query.scw
PDB file :
Tito_Scwrl_4JUQ.pdb
: