Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADIPYGTDYPDAPWIDRDGHVLIDDGGKPTQVHRGQARIAYRLAERYQDKLLHVAGIGWHSWDGRRWAADDRGEAKRAVLAELRQALSDSLNDKELRADVRKCESASGVAGVLDLAAALVPFAATVADLDSDPHLLNVANGTLDLHTLKLRPHAPADRITKICRGAYQSDTESPLWQAFLTRVLPDEGVRGFVQRLAGVGLLGTVREHVLAILIGVGANGKSVFDKAIRYALGDYACTAEPDLFMHREN---AHPTGEMDLRGVRWVAVSESEKDRRLAESTIKRLTGGDTI-RARKMRQDFVEFTPSHTPLLITNHLPRVPGDDTAIWRRIRVVPFEVVIPADEQDRELDARLQLEADSILSWAVAGWSDYQRIGLSQPDAVLAATSNYREDSDTIKRFIDDECVTSSPVLKATTTHLFEAWQRWRVQEGVPEISRKAFGQSLDTHGYPVTDKARDGRWRAGIAVRGADDFDD |
3M6A Chain:A ((88-252)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KVKERILEYLAVQKLTKSLKGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLG-------GRIIQGMKKAG-KLNPVFLLDEIDKMS-----AMLEVLDPEQNSSFSDHYIEETFDLSKVLFIATANNLATI---PGPLRDRMEIINIAG--------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M6A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -39685 for 890 contacts (-44.6/contact) +
2D Compatibility (PS) -14111 + (NN) -4793 + (LL) 20840
1D Compatibility (HY) -2000 + (ID) 800
Total energy: -40549.0 ( -45.56 by residue)
QMean score : 0.183
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