Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTNPKRGAIRELLALLRPFRAIVAVSIALGMAGGLAITLLLASINNALHSENGLGQGVLLSFGGLCLLALVSSIVSDIGTSYVGQHIIAKLRKELGEKVLSAPIEQIERYRTHRLIPVLTHDIDTISDFSFSFTPLAIALTITFGCLGYLAYLSVPMFLLTVVAIVIGTAAQYLARSRGFKGFYAARDLEDELQKHYTAIASGAKELRIHRPRRYRMHTGRISETANNIRDLHISSINIFILAKTFGSMLFFVVIGLALTLQAYWPSSNPAAITGFVMVLLYMKGPLEQVVTILPIVSRAQVAFQRVAELSERFSSPEPHLLLSEQEAPDKTVDSLELRDVRYSPPAVEGSEPFHLGPINLRIAQGDIVFIVGENGCGKTTLIKLLLGLYRPQSGEILLNGEPVSAETRDDYRQLFSTIFADYYLFDDLVQGKQA-------SLQNATQYLQRLEIAHKVSVMDGNFS-----TTDLSTGQRKRLALINAWLEERPVLVFDEWAADQDPAFRRVFYTELLPDLKRQGKTIIVISHDDRYFEMADQLIRLSAGKVVKETETA |
3VX4 Chain:A ((29-252)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFLDGDISFENLSYKYGFG----RDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSDGAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQ-MT--EKTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136160 for 1656 contacts (-82.2/contact) +
2D Compatibility (PS) -23447 + (NN) -13745 + (LL) 27428
1D Compatibility (HY) -13600 + (ID) 2800
Total energy: -162324.0 ( -98.02 by residue)
QMean score : 0.545
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