Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAELQRGLEGVIAAETKISSIIESQ--LTYAGYDIDDLAENAQFEEVIFLLWNYRLPNEEELAHLKGKLNQYMTLNPRVYTHFEEYVTDHVHPMTALRTSLSYIAHFDPDAENES-DENRYERAMRIQAKVASLVTAFARVRQDKEPLKPNPDLSYAANFLYMLRGELPTDIEVE-----AFNKALILHADHELNASAFTARCAVSSLSDMYSGIVAAVGSLKGPLHGGANEQVMTMLSEIGSIENVDAYLDE-KFANKD-KVMGFGHRVYKDGDPRAKYLREMSRQITKDAGREE--LFEMSVKMEKRMAE-----EKGLIPNVDFYSASVYHCMEIPHDLFTPIFAVSRSAGWIAHILEQYKD--NRIMRPRAKYIGETNRKYIPLEERK |
2H12 Chain:B ((59-436)) | ------------ACNSKITFIDGDKGVLLHRGYPIAQLAENASYEEVIYLLLNGELPNKAQYDTFTNTLTNHTLLHEQIRNFFNGFRRD-AHPMAILCGTVGALSAFYPDANDIAIPANRDLAAMRLIAKIPTIAAWAYKYTQGEAFIYPRNDLNYAENFLSMMFARMSEPYKVNPVLARAMNRILILHADHEQNASTSTVRLAGSTGANPFACIAAGIAALWGPAHGGANEAVLKMLARIGKKENIPAFIAQVKDKNSGVKLMGFGHRVYKNFDPRAKIMQQTCHEVLTELGIKDDPLLDLAVELEKIALSDDYFVQRKLYPNVDFYSGIILKAMGIPTSMFTVLFAVARTTGWVSQWKEMIEEPGQRISRPRQLYIGAPQRDYVPLAKR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2H12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177617 for 2935 contacts (-60.5/contact) +
2D Compatibility (PS) -38442 + (NN) -17672 + (LL) 1292
1D Compatibility (HY) -27200 + (ID) 7200
Total energy: -266839.0 ( -90.92 by residue)
QMean score : 0.590
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