Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAVNRRVPRVRDLAPLLQFNRPQFDTSKRRLGAALTIQDLRRIAKRRTPRAAFDYADGGAEDELSIARARQGFRDIEFHPTILRDVTTVCAGWNVLGQPTVLPFGIAPTGFTRLMHTEGEIAGARAAAAAGIPFSLSTLATCAIEDLVIAVPQGRKWFQLYMWRDRDRSMALVRRVAAAGFDTMLVTVDVPVAGARLRDVRNGMSIPPALTLRTVLDAMGHPRWWFDLLTTEPLAFASLDRWPGTVGEYLNTVFDPSLTFDDLAWIKSQWPGKLVVKGIQTLDDARAVVDRGVDGIVLSNHGGRQLDRAPVPFHLLPHVARELGKHTEILVDTGIMSGADIVAAIALGARCTLIGRAYLYGLMAGGEAGVNRAIEILQTGVIRTMRLLGVTCLEELSPRHVTQLRRLGPIGAPT |
2A85 Chain:A ((6-355)) | ----------------------------------FNVEDYRKLAQKRLPKMVYDYLEGGAEDEYGVKHNRDVFQQWRFKPKRLVDVSRRSLQAEVLGKRQSMPLLIGPTALNGALWPKGDLALARAATKAGIPFVLSTASNMSIEDLARQC-DGDLWFQLYVIH-REIAQGMVLKALHTGYTTLVLTTDVAVNGYRERDLHNRFKIPPFLTLKN-----------FEGIDLGKMDKANLEMQAALMSRQM----DASFNWEALRWLRDLWPHKLLVKGLLSAEDADRCIAEGADGVILSNHGGRQLDCAISPMEVLAQSVAKTGK--PVLIDSGFRRGSDIVKALALGAEAVLLGRATLYGLAARGETGVDEVLTLLKADIDRTLAQIGCPDITSLSPDYLQN----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A85.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -255037 for 3107 contacts (-82.1/contact) +
2D Compatibility (PS) -37611 + (NN) -13509 + (LL) 3744
1D Compatibility (HY) -26800 + (ID) 6800
Total energy: -336013.0 ( -108.15 by residue)
QMean score : 0.578
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