Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMIGKRLSDRYKILHAIGGGGMANVYLAHDIILDRDVAVKILRIDLADESNLIRRFQREAQSATSLVHPNIVSVYDVGEE----NDLHYIVMEHVDGMDLKQYIHENHPISYEKAVDIMLQIVSAVAIAHQHHIIHRDLKPQNILIDHDGVVKITDFGIAMALSETSITQTNSLLGSVHYLSPEQARGGMATQKSDIYSLGIVLYELLTGKVPFDGESAVSIAIKHLQAD--IPSAREQNPEIPQSLENIIIKATAKDPFLRYQNAEEMEKDLQTCLNKDRLNEPKYVFPTDDGDTKAIPIIATKDTMQNLDKTIVPEGKVAAAEVVPEEKKDKKKKKMSKKKKIALIVSSVIIIFIIGILLLWLLGKSPDEVAVPDVSGKTEDQAVALLQKEGFVIGKTAEKNSDEVDEGKVINTDPEAGEMKEKGTKINLFVSIGSKKITMDDYTGRSYTDTKALLEEQGFKNISSEEAYSSEIEKGLIISQTPTQGTEVVAKSTDVKFVVSKGAEPITLKDLRGYTKTAVEDYASPLGLKVSSKEENSSTVEKGQVISQSPSAGTAMNSGDTIEIVISAGPKEKQVKEVTKTFNIPYTPSDEENPQPQKIQIYIQDKDHSMTSAYREMSITQNTSVEITFQIEEGSSAGYKIISDDKVIDEGTVPYPN |
3F61 Chain:A ((4-289)) | MTTPSHLSDRYELGEILGFGGMSEVHLARDLRDHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIA-----------------AQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPDSVAYQHVREDPIPPSARHEG--LSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3F61.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139213 for 2167 contacts (-64.2/contact) +
2D Compatibility (PS) -28550 + (NN) -15629 + (LL) 23732
1D Compatibility (HY) -20400 + (ID) 6300
Total energy: -186360.0 ( -86.00 by residue)
QMean score : 0.485
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