Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKDFLEDYKKSVLERKSEGIPPLPLNAKQVEAVVEILMKDPTNAAFAKELLIHRVSPGVDEGAKVKAEFLAQLSQKKLECPHISALEATTLLGTMLGGYNVEPLIVGLESQDKNIAKESAKALKTTLLVYGSFDKIAAMSKTNALAKEVLESWANAEWFLNKEPLNECIEACVFKIDGETNTDDLSPASDAFTRSDIPLHAKAMLKNRIENYEQRIEAIKTKGVPVAYVGDVVGTGSSRKSATNSIMWHFGKDIPFVPNKRSGGIVIGGVIAPIFFATCEDSGALPIVADVKDLKEGDIIKIYPYKGEITLNDKVVSTFKLEPETLLDEVRASGRIPLIIGRGLTNKARKFLGLGESEAFKKPSAPKSDAKGYTLAQKIVGHACGVKGILPGAYCEPKVTTVGSQDTTGAMTRDEVKELASLKFDAPFVLQSFCHTAAYPKPSDVSLHATLPGFITQRGGVALHPGDGVIHTW-LNRMGLPDTLGTGGDSHTRFPLGISFPAGSGLVAFAA-VTGTMP--LNMPESVLVRFKGEMNPGITLRDLVNAIPYYAIKKGLLTVEK-KGKINVFNGRILEIEGLPDIKMEQAFELSDASAERSAAACVVRLNKEPMIEYLKSNIKLIDEMIASGYEDKETLKKRRDAMQAWVDKPVLLEPDSNAQYAAVIEIDVAEITEPILACPNDPDDVATLSEV--LADTTGKRPHAIDEVFIGSCMT----NIGHFRAFG-EIVKNAPPSQARLWVVPPSKMDEQELINEGYYAIFGAAGARTEVPGCSLCMGNQARVR----DNAVVFSTSTRNFDNRMGRG--AKVYLGSAELGAACALLGRIPTKEEYMNLVSEKLESQKDKIYRYMNFNLMENFRL |
1NIT Chain:A ((141-478)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGSGIIHQIILENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKV------AGILTVKGGTGAIVEYHG-----PGVDSISCTGMATICNMGAEIGATTSVFPYNHR-MKKYLSKTGRADIANLADEFKDH-------------------LVPDSGCHYDQLIEINLSEL-KPHINGPFTPDLAHPVAEVGSVAEKEG-WPLDIRVGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFLTGKDGKKFKLEAPDADELPRAEFDPG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NIT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122229 for 2794 contacts (-43.7/contact) +
2D Compatibility (PS) -34846 + (NN) -21432 + (LL) 32304
1D Compatibility (HY) -14400 + (ID) 4250
Total energy: -164853.0 ( -59.00 by residue)
QMean score : 0.377
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