Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSEAPRIQLLSPRLANQIAAGEVVERPASVAKELLENSLDAGSRRIDVEVEQGGIKLLRVRDDGRGIPADDLPLALARHATSKIRELEDLERVMSLGFRGEALASISSVARLTMTSRTADAGEAWQVETEGRDMQPRVQPAAHPVGTSVEVRDLFFNTPARRKFLRAEKTEFDHLQEVIKRLALARFDVAFHLRHNGKTIFALHEARDELARARRVGAVCGQAFLEQALPIEVERNGLHLWGWVGLPTFSRSQPDLQYFYVNGRMVRDKLVAHAVRQAYRDVLYNGRHPTFVLFFEVDPAVVDVNVHPTKHEVRFRDSRMVHDFLYGTLHRALGEVRPDDQLAPPGATSLTEPRPTGAAAGEFGPQGEMRLAESVLESPAARVGWSGGSSASGGSSGYSAYTRPEAPPSLAEAGGAYKAYFAPLPAGEAPAALPESAQDIPPLGYALAQLKGIYILAENAHGLVLVDMHAAHERITYERLKVAMASEGLRGQPLLVPESIAVSEREADCAEEHSSWFQRLGFELQRLGPESLAIRQIPALLKQAEATQLVRDVIADLLEYGTSDRIQAHLNELLGTMACHGAVRANRRLTLPEMNALLRDMEITERSGQCNHGRPTWTQLGLDELDKLFLRGR |
| 3KDG Chain:A ((433-627)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDRVPIMYPIGQMHGTYILAQNENGLYIIDQHAAQERIKYEYFREKVGEVEPEVQEMIVPLTFHYSTNEALIIEQHKQELESVGVFLESFGSNSYIVRCHPAWFPKGEEAELIEEIIQQVLDSKNID-IKKLREEAAIMMSCKG----NRHLRNDEIKALLDDLRSTSDPFTCPHGRPIIIHHSTYEMEKMFKRVM |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KDG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -81017 for 1339 contacts (-60.5/contact) +
2D Compatibility (PS) -21047 + (NN) -9219 + (LL) 29124
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -98559.0 ( -73.61 by residue)
QMean score : 0.486
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