Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTFRQEDVEDHYEMGEELGSGQFAIVRKCRQKGTGKEYAAKFIKKRRLSSSRRGVSREEIEREVNILREIRHPNIITLHDIFENKTDVVLILELVSGGELFDFLAEKESLTEDEATQFLKQILDGVHYLHSKRIAHFDLKPENIMLLDKNVPNPRIKLIDFGIAHKIEAGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGETKQETLTNISAVNYDFDEEYFSNTSELAKDFIRRLLVKDPKRRMTIAQSLEHSWIKAIRRRNVRGEDSGRKPERRRLKTTRLKEYTIKSHSSLPPNNSYADFERFSKVLEEAAAAEEGLRELQRSRRLCHEDVEALAAIYEEKEAWYREESDSLGQDLRRLRQELLKTEALKRQAQEEAKGALLGTSGLKRRFSRLENRYEALAKQVASEMRFVQDLVRALEQEKLQGVECGLR |
3LIJ Chain:A ((31-299)) | ----KKGHLSEMYQRVKKLGS---GEVLLCRDKVTHVERAIKIIRK-----S----SNSKLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESK-EKDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLR-KKYDEKCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LIJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156726 for 2056 contacts (-76.2/contact) +
2D Compatibility (PS) -27909 + (NN) -12352 + (LL) 15028
1D Compatibility (HY) -24800 + (ID) 5350
Total energy: -212109.0 ( -103.17 by residue)
QMean score : 0.310
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