Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHN-IISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKP-----EIFPK-------QIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEAD-IKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI |
| 3PYL Chain:A ((2-346)) | -GYTVAVVGATGAVGAQMIKML----EESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHAL---DAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVL-NDGVKPCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAF--PGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERGLVRPTA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PYL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -249206 for 2869 contacts (-86.9/contact) +
2D Compatibility (PS) -35939 + (NN) -11851 + (LL) 1192
1D Compatibility (HY) -23600 + (ID) 7050
Total energy: -326454.0 ( -113.79 by residue)
QMean score : 0.553
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