Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LTEEVRCIGCGAVIQTEDPDKIGYAPKSSLNNEQVICKRCFRLKHYNEIQDVALTDDDFLRILNQISSKQALIVYVVDIFDFDGSWLPGLPRFAGSNPVLLVGNKEDVLPKSLKRDKLTRWMRTRAKEQGLAATDVVLVSAEKGHGFDTLLEKIDELRNGQDVYVVGCTNVGKSTLINRIIKQASGENNVITTSQFPGTTLDKIEIPLADGNVLVDTPGIINHHQMAHFIDTTTLKAITPKKEVKPAVFQLNEEQTLFLGALARLDYVSGGRKSLVVYVSNNLPIHRTKLEKAEALYEKQAGLVLQPPTEEDMKTLPKLVPYSFTVKE-KADIVFSGLGWVTIPEGGAKVTAWVPEGVSATIRTSLV |
3EC1 Chain:B ((59-369)) | --------------------------------------------------------DDFLSMLHRIGESKALVVNIVDIFDFNGSFIPGLPRFAADNPILLVGNKADLLPRSVKYPKLLRWMRRMAEELGLCPVDVCLVSAAKGIGMAKVMEAINRYREGGDVYVVGCTNVGKSTFINRIIEEATGKGNVITTSYFPGTTLDMIEIPLESGATLYDTPGIINHHQMAHFVDARDLKIITPKREIHPRVYQLNEGQTLFFGGLARLDYIKGGRRSFVCYMANELTVHRTKLEKADSLYANQLGELLSPPSKRYAAEFPPLVPRSLSVKERKTDIVFSGLGWVTCNDPGAQLVVHAPKGVDVFIRQSLI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EC1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217403 for 2558 contacts (-85.0/contact) +
2D Compatibility (PS) -34328 + (NN) -14599 + (LL) 3704
1D Compatibility (HY) -38400 + (ID) 9600
Total energy: -310626.0 ( -121.43 by residue)
QMean score : 0.618
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