Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VATKHEQILKYIENLAVGEKISVRKIAKNLSVSEGTAYRAIKDAEIIGFVSTIKRVGTLRIERKQKDSIEKLTFAEIVNMIDGQVLGGRAGLYKSLNKFVIGAMTVEAMERYTDAGNLLIVGNRVSAHELALKRGAAVLITGGFDTDDEVKQLADEKELPILSTSYDTFTVATMINRAIYDQLIKKEVVFVEDILTPLETTAFLSTSDKVEDWHKMEEATGHSRFPVVNRAMRLTGMVTSKDILE-----------------KNPSISIERVMTKNPLTVGPKMSVASVAHMMIWESIEVIPVVKDDLTLIGIVSRQDILKSMQMIQKQPQVGETIDDTIANQLSEKTDTGEEADYEFKVSPQMTNSLGTLSYGVFTQVVCEVVQQKLFSMKKRNVAIENVTMYFLKPVQMDATIIIKPRILEMGRKAGKLDVELYLEGILTGKAIVACQMMER |
3KH5 Chain:A ((123-277)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------DENQLISLITERDVI-------RALLDKIDENEVI--DDYIT--RDVIVATPGERLKDVARTMVRNGFRRLPVVSEG-RLVGIITSTDFIKLLGSDWAFNHMQTGNVREITNVRMEEIMKRDVITAKEGDKLKKIAEIMVTNDIGALPVVDENLRIKGIITEKDVLK------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KH5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80090 for 969 contacts (-82.7/contact) +
2D Compatibility (PS) -14703 + (NN) -3252 + (LL) 25040
1D Compatibility (HY) -12400 + (ID) 2000
Total energy: -87405.0 ( -90.20 by residue)
QMean score : 0.543
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