Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFAD-KSKEELEEAAIEVSVAGRIMTKRVKG-KVGFTHIQDRFHQLQIYI--RKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITY-------GEYKVDLTPNWRRIHMADAVKEYVGVDF--WNVTSDEEAREL------AKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
4YCU Chain:A ((11-508)) | --------------IRSQAIHQLKVNGEDPYPHKFHVDISLTDFIQKYSHLQPGDHLTD--ITLKVAGRIHAKRASGGKLIFYDLRGEGVKLQVMANSRNYKSEEEFIHINNKLRRGDIIGVQGNPGKTKKGELSIIPYEITLLSPCLHMLPHLHFGLKDKETRYRQRYLDLILNDFVRQKFIIRSKIITYIRSFLDELGFLEIETPMMNIIPGGAVAKPFITYHNELDMNLYMRIAPELYHKMLVVGGIDRVYEIGRQFRNEGIDLTHNPEFTTCEFYMAYADYHDLMEITEKMVSGMVKHITGSYKVTYHPDGPEGQAYDVDFTPPFRRINMVEELEKALGMKLPETNLFETEETRKILDDICVAKAVECPPPR--TTARLLDKLVGEFLEVTCINPTFICDHPQIMSPLAKWHRSKEGLTERFELFVMKKEICNAYTELNDPMRQRQLFEEQAKAKAAGDDEAMFIDENFCTALEYGLPPTAGWGMGIDRVAMFLTDSNNIKEVLLFPAMKPE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YCU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154629 for 3722 contacts (-41.5/contact) +
2D Compatibility (PS) -51857 + (NN) -16652 + (LL) 1360
1D Compatibility (HY) -44800 + (ID) 11000
Total energy: -277578.0 ( -74.58 by residue)
QMean score : 0.518
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