Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCIKSKRKDNLNDDGVDMKTQPVRNTDRTIYVRDPTSNKQQRPVPESQLLPGQRFQAKDPEEQGDIVVALYPYDGIHPDDLSFKKGEKMKVLEEHGEWWKAKSLSSKREGFIPSNYVAKVNTLETEEWFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDYDPMHGDVIKHYKIRSLDNGGYYISPRITFPCISDMIKHYQKQSDGLCRRLEKACISPKPQKPWDKDAWEIPRESIKLVKKLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSAQAFLEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSDEGSKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGCFTIKSDVWSFGILLYEIVTYGKIPYPGRTNADVMTALSQGYRMPRMENCPDELYDIMKMCWKESAEERPTFDYLQSVLDDFYTATEGQYQQQP |
3GEN Chain:A ((16-280)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YGSWEIDPKDLTFLKELG---FGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREM-RHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMD---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GEN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -196618 for 2122 contacts (-92.7/contact) +
2D Compatibility (PS) -27825 + (NN) -10121 + (LL) 12728
1D Compatibility (HY) -30800 + (ID) 5500
Total energy: -258136.0 ( -121.65 by residue)
QMean score : 0.289
|
|
|