Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLELKNKISAEAPKTDPSLAGVAANAILDVLGAVPSKPLRVQAELYKKESNNEEMDHTRDSGINNQSSGIKKSASEGTLFSESWDSKKTSGDWKRLLDNKPGDGSDTPPTPFTPKDDSYIENSETDSTTPLISSGKKTNRVWPRVKYAMQQKGVIIFGANTIILCTSLALVYLQDKAKFIVFFANSPFYITILVIASASLFAVSPIFHIIKQFRDAEEYQIQKGNANEILDKVLECQPRDKVIKSVRLEYSNDTHSNFALNAWEAKDNFINIGEKVISRANKIESIINNRPLFIALLTSVVAANIAFPLGLLAIDGINNVQKFYQNPLTHNVGLSLFIGSGI-LALSIICLGVHYYRKTNCTNLIYSQEK------INTESVNKKFIKKIEQERTNVLK--DNHGKDAK-------CISLTLEQ--VVVQSHNCKDIVYSIGE |
| 1VS1 Chain:A ((144-248)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGKPVLLKRGFGNTVEELLAAAEYILLEGNWQVVLVERGIRTFEPSTRFTLDVAAVAVLKEATHLPVIVDPSHPAGRRSLVPALAKAGLAAGADGLIVEVHPNPEEALSDAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2911 for 539 contacts (-5.4/contact) +
2D Compatibility (PS) -9317 + (NN) -2907 + (LL) 20332
1D Compatibility (HY) -2400 + (ID) 350
Total energy: 2447.0 ( 4.54 by residue)
QMean score : 0.241
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