Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPVIRVLVMLATMMMKLVKTAKEKKVFKNVGISIMGIAFWEAIKDSIKKQIKKSDWICGNVKTADDYLKTHPNSWFNSAIGVTAITAMLMNVCFADDQSKKEVAQAQKEAENARDRANKSGIELEQEEQKTEQEKQKTEQEKQKTEQEKQKTEQEKQKTEQEKQKTSNIETNNQIKVEQEQQKTEQEKQKTNNTQKDLVNKAEQNCQENHNQFFIKKLGIKAGIAIEIEAECKTPKPTKTNQTPIQPKHLPNSKQPHSQRGSKAQELIAYLQKELESLPYSQKAIAKQVDFYRPSSIAYLELDPRDFNATEEWQKENLKIRSKAQAKMLEMRSLKPDPQAHLSTSQSLLLVQKIFADVSKEIKVVANTEKKVEKAGYGYSKRM |
4OX2 Chain:A ((348-406)) | -----------------IKTIQKNTIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRP---EPCAHPNSRFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHGVFVGAAMRSEAVIMHDPFAMRPFFGYNFGKYLAHWLSMAHRPAAKLPKIFHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYVPKEDALNLKGLGDVNVEELFGISKEFWEKEVEEIDKYLEDQVNADLPYEIERELRALKQRISQM---------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OX2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6217 for 309 contacts (-20.1/contact) +
2D Compatibility (PS) -5703 + (NN) 1619 + (LL) 10648
1D Compatibility (HY) -1200 + (ID) 750
Total energy: -1603.0 ( -5.19 by residue)
QMean score : 0.109
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