Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSCPEQIVQLMHMHLDGDILPKDEHVLNEHLETCEKCRKH-------FYEMEKSIALVRSTSHVEAPADFTANVMAKLPKEKKRASVKRWFRTHPVIAAAAVFIILMGGGFFNSWHNDHNFSVSKQPNL---VVHNHTVTVPEGETVKGDVTVKNG---KLIIKGKIDGDVTVVNGEKYMASAGQVTGQIEEINQ-LFDWTWYKMKSAGKSVLDAFNP----NGEE--------- |
| 4KKI Chain:A ((24-434)) | EICEVSEENYIRLKPLLNTMIQSNYNRGTSAVNVVLSLKLVGIQIQTLMQKMIQQIKYNVKSRLSDVSSGELALIILALGVCRNAEENLIYDYHLIDKLENKFQAEIENMEAHNGTPLTNYYQLSLDVLALCLFNGNYSTAEVVNHFTPENKNYYFGSQFSVDTGAMAVLALTCVKKSLINGQIKADEGSLKNISIYTKSLVEKILSEKKENGLIGNTFSTGEAMQALFVSSDYYNENDWNCQQTLNTVLTEISQGAFSN------PNAAAQVLPALMGKTFLDINKDSSCVSASGNFNIQSYISVNYSVRINE--TYFTNVTVLNGSVFLSVMEKAQKMNDTIFGFTMEERSWGPYITCIQGLCANNNDRTYWELLSGGEPLSQGAGSYVVRNGENLEVRWSKYL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15703 for 1168 contacts (-13.4/contact) +
2D Compatibility (PS) -21381 + (NN) -5127 + (LL) 276
1D Compatibility (HY) -4400 + (ID) 2100
Total energy: -48435.0 ( -41.47 by residue)
QMean score : 0.181
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