Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVI-DNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLN-QVLQAGAFA--YPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVD-FPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
3PYX Chain:B ((3-338)) | ---YTVAVVGATGAVGAQMIKMLEESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEG--VDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHAL-DAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVLNDGVK--PCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAFPGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PYX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168101 for 2911 contacts (-57.7/contact) +
2D Compatibility (PS) -34611 + (NN) -4968 + (LL) 448
1D Compatibility (HY) -26800 + (ID) 8200
Total energy: -242232.0 ( -83.21 by residue)
QMean score : 0.391
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