Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHN-IISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKP-----EIFPK-------QIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEAD-IKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI |
4R3N 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: 4R3N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -255478 for 2945 contacts (-86.7/contact) +
2D Compatibility (PS) -36039 + (NN) -13384 + (LL) 1192
1D Compatibility (HY) -23600 + (ID) 7050
Total energy: -334359.0 ( -113.53 by residue)
QMean score : 0.558
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