Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKWLGAPLARGVSTATRAKDSDRQDACRILDDALRDGELSMEEHR-ERVSAA-TKAVTLGDLQRLVADLQVESAPAQMPALKSRAKRTELGLLA-------AAFVASVLLGVGIGWGVYGNTRSPLDFTSDPGAKPDGIAPVVLTPPRQLHSLGGLTGLLEQTRKRFGDTMGYRLVIYPEYASLDRVDPADDRRVLA-YTYRGGWGDATSSAKSIADVSVVDLSKFDAKTAVGIMRGAPETLGLKQSDVKSMYLIVEPVKDPTTPAALSLSLYV-SSDYGGG-YLVFAGDGTIKHVSYPS |
3LLM Chain:A ((1-235)) | VVPWSPPQSNWNPWTSSNIDEGPLAFA-------------TPEQISMDLKNELMYQLEQDHDLQAILQERELLPVKKFESEILEAISQNSVVIIRGATGCGKTTQVPQFILDDFIQ--------------NDRAAE----CNIVVTQPRRISAVSVAERVAFERGEEPGKSCGYSV-------RFESILPRPHA--SIMFCTVGVLLRKLEAGIRGISHVIVD------------------EIHERDINTDFLLVVLRDVVQAYPE----VRIVLMSATIDTSMFCEYFFNCPIIEV---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LLM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -34859 for 1738 contacts (-20.1/contact) +
2D Compatibility (PS) -23522 + (NN) -9693 + (LL) 3388
1D Compatibility (HY) -10400 + (ID) 1350
Total energy: -76436.0 ( -43.98 by residue)
QMean score : 0.331
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