Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVIGIDLGTTNSAMAVYEGNEAKIIANKEGKNTTPSIVAFTDKGEILVGESAKRQAVTNPEKTIYSIKRIMGLMFNEDKAKEAEKRLPYKIVDRNGACAIEIS----GKIYTPQEISAKILMKLKEDAESYLGESVTEAVITVPAYFNDSQRKATKEAGTIAGLNVLRIINEPTSAALAYGLDKK--ESEKIMVYDLGGGTFDVTVLETGDNVVEVLATGGDAFLGGDDFDNRVIDFLAAEFKNETGIEIKNDVMALQRLKEAAENAKKELSSAMETEINLPFITADATGPKHLVKKLTRAKFESLTEDLVEETISKIESVIKDAGLTKNEISEVVMVGGSTRIPKVQERVKAFIN-KELNKSVNPDEVVAVGASIQGGVLKGDVKDVLLLDVTPLSLGIETLGGVMTKVIDRGTTIPAKKSQVFSTAEDNQPAVSIMVLQGERELARDNKSLGKFDLQGIAPAPRGMPQIEVTFDIDANGILTVSAQDKNTGKSQEIKISGSSGLSDSEIEKMVKDAELHKEEDARKKEVIEARNHADSLAHQTQKSLDEHKTNLNENDANEIQNAINALKDCIKNDNATKAELEDKTKALTQAAQKLGEAMANKNNAEQPKKKDDDVIDAEVE |
1ATR Chain:A ((4-383)) | -GPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDT-ERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGVFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGI----DFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ATR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124096 for 3225 contacts (-38.5/contact) +
2D Compatibility (PS) -41062 + (NN) -17402 + (LL) 14756
1D Compatibility (HY) -32000 + (ID) 9150
Total energy: -208954.0 ( -64.79 by residue)
QMean score : 0.582
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