Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGNAVDNANHLTYFFGNITREEAEDYLVQGGMTDGLYLLRQSRNYLGGFALSVAHNRKAHHYTIERELNGTYAISGGRAHASPADLCHYHSQEPEGLVCLLKKPFNRPPGVQPKTGPFEDLKENLIREYVKQTWNLQGQALEQAIISQKPQLEKLIATTAHEKMPWFHGNISRDESEQTVLIGSKTNGKFLIRARDNNGSFALCLLHEGKVLHYRIDRDKTGKLSIPEGKKFDTLWQLVEHYSYKPDGLLRVLTVPCQKIGVQMGHPGSSNAHPVTWSPGGIISRIKSYSFPKPGHKKPPPPQGSRPESTVSFNPYEPTGGAWGPDRGLQREALPMDTEVYESPYADPEEIRPKEVYLDRKLLTLEDNELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAAWGPLNKYLQQNRHIKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYFKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPPGCPREMYDLMFLCWTYDVENRPGFAAVELRLRNYYYDVVN |
1XBB Chain:A ((11-283)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILK-----PALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKA----KWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XBB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191757 for 2162 contacts (-88.7/contact) +
2D Compatibility (PS) -28573 + (NN) -10569 + (LL) 16832
1D Compatibility (HY) -43200 + (ID) 12850
Total energy: -270117.0 ( -124.94 by residue)
QMean score : 0.215
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