Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MNIIIIGAQASGKMTIGQEIAKQTGMTLFHNHDSIDFVLRF---MPWSPDSIALTESIRFKFFETFAKTGQKMIFTIVIDFNDSRDVVFLEKIQTVFQSHNQEVLFVELETELSERLKRNRTENRLKHKPSKRDIKWSENDICLTMDYAIFNPEVAPEALTYYHKINNTCLTATETAYLIIQKINQIKEKN--
1SHK Chain:A ((1-173))
MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVA-TPNRVVAT-------GGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRL-----------------------------QIAEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTMRLPAA
General information:
TITO was launched using:
RESULT:
Template:
1SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69353 for 1214 contacts (-57.1/contact) +
2D Compatibility (PS) -15778 + (NN) 1518 + (LL) 2232
1D Compatibility (HY) -8000 + (ID) 1500
Total energy: -90881.0 ( -74.86 by residue)
QMean score : 0.406
(partial model without unconserved sides chains):
PDB file :
Tito_1SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SHK-query.scw
PDB file :
Tito_Scwrl_1SHK.pdb
: