Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREAIIKRAAKELKEGMYVNLGIGLPTLVANEV-SGMNIVFQSENGLLGIGAYPLEGGVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAKKVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSNNAMELVELQEGVSLDQVKEKTEAEFEVHL
3CDK Chain:B ((5-209))
-RKRMVKRAVQEIKDGMNVNLGIGMPTLVANEIPDGVHVMLQSENGLLGIGPYPLEGTEDADLINAGKETITEVTGASYFDSAESFAMIRGGHIDLAILGGMEVSEQGDLANWMIPGK-VKGMGGAMDLVNGAKRIVVIMEHVNKHGESKVKKTCSLPLTGQKVVHRLITDLAVFDFVNGRMTLTELQDGVTIEEVYEKTEADFAVSQ
General information:
TITO was launched using:
RESULT:
Template:
3CDK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136790 for 1636 contacts (-83.6/contact) +
2D Compatibility (PS) -22105 + (NN) -7439 + (LL) 384
1D Compatibility (HY) -26000 + (ID) 7500
Total energy: -199450.0 ( -121.91 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3CDK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CDK-query.scw
PDB file :
Tito_Scwrl_3CDK.pdb
: