Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVI-DNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLN-QVLQAGAFA--YPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVD-FPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
| 4R41 Chain:A ((3-338)) | ---YTVAVVGATGAVGAQMIKMLEESTLPIDKIRYLASARSAGKSLKFKDQDITIEETTETAFEG--VDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQNPDVPLVVPEVNAHAL-DAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIVSTYQAVSGAGMGAILETQRELREVLNDGVK--PCDLHAEILPSGGDKKHYPIAFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSAHSESVYIETKEVAPIEEVKAAIAAFPGAVLEDDVAHQIYPQAINAVGSRDTFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERG |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178250 for 2933 contacts (-60.8/contact) +
2D Compatibility (PS) -34899 + (NN) -5640 + (LL) 448
1D Compatibility (HY) -26800 + (ID) 8200
Total energy: -253341.0 ( -86.38 by residue)
QMean score : 0.410
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