Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKELLTFPKDFWWGSAWSAEQAEGR-GDTGKAKTVWEHWFETEPNRFYEGVGSEITTDHFNRYKEDVQWMKKTGQNSFRISISWARMFPDDGVGEVNQKAIAFYRDLLTEMNENGVKPFANLYHFDMPVALQDAGGWESREVVDAYVHFADTCFKEFGDLVYHWFTFNEPLGPILGGYLEGFHYPNQIDFKRGTQAGFNTILAHTLAIKAFKKINLSS-KIGVILNLSPTYPRSQNEYDLEAAEICDAFYTRSFLDPMVKGTFPEKLVEIMREYDQMPEYTEEDLTIIKENTAQILGLNYYEPRRVKARLTAINEKSPFLPDWFFEPHNMPGKRMNIYRGWEIYERGIYDLCIDIRDNYGNIESFISENGMGVANEERFLNEEGQIQDDYRIQFVKDHLAYVHQAIAEGCDIKGYHLWTFIDCWSWINAYKNRYGLVSLDVETGKRTMKKSGEFYKKMSDMNGFEYETSKLVGTKREETTNG |
3WH6 Chain:A ((6-433)) | ------FPADFVWGAATAAYQIEGAVREDGRGVSIWDT-FSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPL-GAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGA--AAPQANPEDLTQIAAPL-DWLGVNYYE------RMRAVDAPDASLP----QAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITENGCALHDE---IAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSG------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WH6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171375 for 3854 contacts (-44.5/contact) +
2D Compatibility (PS) -45239 + (NN) -17236 + (LL) 3668
1D Compatibility (HY) -32400 + (ID) 7500
Total energy: -270082.0 ( -70.08 by residue)
QMean score : 0.478
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