Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKEYDVVILGGGTGGYVAAIQAAKNGQKVAVVEKG-KVGGTCLHRGCIPTKALLRSAEVLQTVKK-ASEFGISVEGTAGINFLQAQERKQAIVDQLEKGIHQLFKQGKIDLFVGTGTILGPSIFSPTAGTISVEFEDGSENEMLIPKNLIIATGSKPRTLSGLT-IDEEHVLSSDGALNLETLPKSIIIVGGGVIGMEWASMMHDFGVEVTVLEYADRILPTEDKEVAKELARLYKK-KKLNMHTSAEVQAASYKKTDTGVEIK-AIIKGEEQTFTADKILVSVGRSANTENIGLQNTDIAT-ENGFIQVNDFYQTKESHIYAIGDCIPT-IQLAHVAMEEGTIAANYIAGKAAEKLDYDLVPRCIYTSTEIASVGITEEQAKERGHEVKKGKFFFRGIGKALVYGESDGFIKIIADKKTDDILGVSMIGPHVTDMISEAALAQVLNATPWEVGNTIHPHPTLSESFREAALAVDGNAIHG |
2QAE Chain:A ((1-467)) | --NPYDVVVIGGGPGGYVASIKAAQLGMKTACVEKRGALGGTCLNVGCIPSKALLHATHLYHDAHANFARYGLMGGEGVTMDSAKMQQQKERAVKGLTGGVEYLFKKNKVTYYKGEGSFETAH-------SIRVNGLDGK-QEMLETKKTIIATGSEPTELP-FLPFDEKVVLSSTGALALPRVPKTMVVIGGGVIGLELGSVWARLGAEVTVVEFAPRCAPTLDEDVTNALVGALAKNEKMKFMTSTKVVGGTN--NGDSVSLEVEG---KRETVTCEALLVSVGRRPFTGGLGLDKINVAKNERGFVKIGDHFETSIPDVYAIGDVVDKGPMLAHKAEDEGVACAEILAGKPGH-VNYGVIPAVIYTMPEVASVGKSEDELKKEGVAYKVGKFPFNANSRAKAVSTEDGFVKVLVDKATDRILGVHIVCTTAGELIGEACLAMEYGASSEDVGRTCHAHPTMSEALKEACMALFAKTIN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244972 for 4054 contacts (-60.4/contact) +
2D Compatibility (PS) -49683 + (NN) -13349 + (LL) 576
1D Compatibility (HY) -37200 + (ID) 9150
Total energy: -353778.0 ( -87.27 by residue)
QMean score : 0.556
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