Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFRPRLLLTSLAIALGACSPQDPQAVTSAALAQQVILPTYSRWVEADQALASSALAYCQGKEDLAKARDAFHAAQKAWAELQPLLIGPLAEGNRAWQVQFWPDKKDLVGRQVEQLLKNNPQVDAAALAKASVVVQGLSAYEYILFDSKIDLADAATKARYCPLLEAIGTHQQQLAQDILARWKNDGGMLTQMSKFPNDRYADAHEAIAELLRVQVTALDMLKKKLGTPLGRQSKGIPQPYQAEAWRSNASLASLDASLSGAQALWEGIDGKGLKTLLPAEQKDLAGKIDAAYADSHAKLAALEQKPLSELLASEDGRNQLNALYDSLNVVHRLHEGDLARALGVQLGFNANDGD |
3AT7 Chain:A ((25-275)) | -------------------VAPLDLVQPISDYKIYVSENLQTLVRDTREFTNAVKA-----GDVAKAKKLFASTRMSYERIEPIA-------------ELFSDLDASIDSRADDHEKAEKDPA----------FFGFHRIEYGLFAQNSA------------------KGLAPVADKLMADVLELQKRIRGLTFPPEKVVGGAAVLMEEVAATKISG------------------------EEDRYSHTDLWDFQANFEGAKKIVDL-----FRPLVVKDNRAFADKVDANFDTVFKTLAKYRTADGGFELYGKLSERDRKVLAGRVNTLAEDLS-KMRGLLGLDL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AT7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37530 for 2058 contacts (-18.2/contact) +
2D Compatibility (PS) -26611 + (NN) -10415 + (LL) 5812
1D Compatibility (HY) -12000 + (ID) 2000
Total energy: -82744.0 ( -40.21 by residue)
QMean score : 0.501
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