Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYP-DESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEG--KIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFG-KPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE |
3VX4 Chain:D ((28-266)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFLDGDISFENLSYKYGFGRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKT--ALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQ-MTEKTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFYYNLF-------------------- |
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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) -131529 for 1881 contacts (-69.9/contact) +
2D Compatibility (PS) -25926 + (NN) -12288 + (LL) 29084
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -164059.0 ( -87.22 by residue)
QMean score : 0.475
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