Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTPVLWRLLRTYRWRLAAAMGLQALAGLCSLLPWMLLAWLAEPLARGQAQPALLALVLLAVLAWLGCQALAAHLAHRVDADLCNDLRLRLLAHLQRLPLDWFGRQGPDGVARLVEQDVRALHQLIAHAPNDLSNLLVVPLVALLWLAWLHPWLLLFCLLPLVLAAAGFLLLRSARYRDLVLRRNAALERLSADYGEFAHNLLLARQYPGAGIQQGAEASAAAFGEAFGAWVKRVGHLAALVYVQLSTPWLLAWVLLGALALDALGVPLALGQACAFLLLLRALAAPVQALGHGGDALLGARAAAERLQQVFDQAPLAEGRSTREPVDGAVALHGLGHAYE-GVEVLADIDLELEDGSLVALVGPSGSGKSTLLHLLARYMDAQRGELEVGGLALKDMPDAVRHRHIALVGQQAAALEISLADNIALFRPDADLQE-IRQAARDACLDERIMALPRGYDSVPGRDLQLSGGELQRLALARALLSPASLLLLDEPTSALDPQTARQVLRNLRERGGGRTRVIVAHRLAEVSDADLILVLVAGRLVERGEHAALLAADGAYARLWREQNGAEVAA |
3VX4 Chain:A ((29-267)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFLDGDISFENLSYKYGFGRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSDGAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQM-TEKTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFYYNLFN--------- |
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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) -151887 for 1908 contacts (-79.6/contact) +
2D Compatibility (PS) -25601 + (NN) -10287 + (LL) 30552
1D Compatibility (HY) -17600 + (ID) 4400
Total energy: -179223.0 ( -93.93 by residue)
QMean score : 0.463
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