Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHN-IISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKP-----EIFPK-------QIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEAD-IKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI |
4R4J Chain:B ((2-346)) | -GYTVAVVGATGAVGAQMIKML----EESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHAL---DAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVL-NDGVKPCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAF--PGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERGLVRPTA |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4R4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -249208 for 2948 contacts (-84.5/contact) +
2D Compatibility (PS) -35852 + (NN) -14361 + (LL) 1192
1D Compatibility (HY) -23600 + (ID) 7050
Total energy: -328879.0 ( -111.56 by residue)
QMean score : 0.570
|
|
|