Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMIGKRLSDRYKILHAIGGGGMANVYLAHDIILDRDVAVKILRIDLADESNLIRRFQREAQSATSLVHPNIVSVYDVGEENDLHYIVMEHVDGMDLKQYIHENHPISYEKAVDIMLQIVSAVAIAHQHHIIHRDLKPQNILIDHDGVVKITDFGIAMALSETSITQTNSLLGSVHYLSPEQARGGMA-TQKSDIYSLGIVLYELLTGKVPFDGESAVSIAIKHLQADIPSAREQNPEIPQSLENIIIKATAKDPFLRYQNAEEMEKDLQTCLNKDRLNEPKYVFPTDDGDTKAIPIIATKDTMQNLDKTIVPEGKVAAAEVVPEEKKDKKKKKMSKKKKIALIVSSVIIIFIIGILLLWLLGKSPDEVAVPDVSGKTEDQAVALLQKEGFVIGKTAEKNSDEVDEGKVINTDPEAGEMKEKGTKINLFVSIGSKKITMDDYTGRSYTDTKALLEEQGFKNISSEEAYSSEIEKGLIISQTPTQGTEVVAKSTDVKFVVSKGAEPITLKDLRGYTKTAVEDYASPLGLKVSSKEENSSTVEKGQVISQSPSAGTAMNSGDTIEIVISAGPKEKQVKEVTKTFNIPYTPSDEENPQPQKIQIYIQDKDHSMTSAYREMSITQNTSVEITFQIEEGSSAGYKIISDDKVIDEGTVPYPN |
3H4J Chain:B ((27-281)) | ---SKRHIGPYIIRETLGEGSFGKVKLATHYKTQQKVALKFISRQLLKKSDMHMRVEREISYLKLLRHPHIIKLYDVITTPTDIVMVIEYA-GGELFDYIVEKKRMTEDEGRRFFQQIICAIEYCHRHKIVHRDLKPENLLLDDNLNVKIADFGLSNIMTDG--NFLKTSCGSPNYAAPEVINGKLYAGPEVDVWSCGIVLYVMLVGRLPFDDEFIPNLFKKVNSCVY----VMPDFLSPGAQSLIRRMIVADPMQRIT-IQEIRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3H4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -128400 for 1885 contacts (-68.1/contact) +
2D Compatibility (PS) -26810 + (NN) -5826 + (LL) 24020
1D Compatibility (HY) -16800 + (ID) 3850
Total energy: -157666.0 ( -83.64 by residue)
QMean score : 0.398
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