Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQTNLCDSARQRAEAAEAERILRSCVHCGFCNATCPTYQELGDELDGP-------RGRIYLIKQFLERDEASERTRLHLDRCLSCRNCETTCPSGVEYHKLLDIGRDLLAERLPRGFRQRLLRDGLRLLAPRPGLFGALAGAAGRLRPLLPEAMQGKLPRRVAAPGRRPQPRHARRVLLLEGCVQPALSPNTNAAAARVLDRLGISVTPAAAAGCCGALDFHLDAQERGRQRARRNIDAWWPLLREGAEAIVQTASGCGAFVKDYAYLLRDDPRYADKAREVAAAARDLVEVLRDEPLESLGLRCDQRLAFHCPCTLQHAQRLGGAVEAVLRRLGFHLTEVADGHLCCGSAGTYSLTQPALSQRLRDNRLDALESGAPDVIVTANVGCQAHLDGAGRTPVRHWIELLDQALPGGE |
3AE7 Chain:B ((144-243)) | ----------QSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AE7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21260 for 583 contacts (-36.5/contact) +
2D Compatibility (PS) -9527 + (NN) -634 + (LL) 20268
1D Compatibility (HY) -4400 + (ID) 1500
Total energy: -17053.0 ( -29.25 by residue)
QMean score : 0.333
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