Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | SMHPQAVAAVLPAGGCGERMGVPTPKQFCPILERPLISYTLQALERVCWIKDIVVAVTGENMEVMKSIIQKYQHKRISLVEAGVTRHRSIFNGLKALAEDQINSKLSKPEVVIIHDAVRPFVEEGVLLKVVTAAKEHGAAGAIRPLVSTVVSPSADGCLDYSLERARHRASEMPQAFLFDVIYEAYQQCSDYDLEFGTECLQLALKYCCTKAKLVEGSPDLWKVTYKRDLYAAESIIKERISQEICVVMDTEEDNKHVGHLLEEVLKSELNHVKVTSEALGHAGRHLQQIILDQCYNFVCVNVTTSDFQETQKLLSMLEESSLCILYPVVVVSVHFLDFKLVPPSQKMENLMQIREFAKEVKERNILLYGLLISYPQDDQKLQESLRQGAIIIASLIKERNSGLIGQLLIA |
1VPA Chain:A ((16-229)) | --------AILLAAGKGERMSENVPKQFLEIEGRMLFEYPLSTFLKSEAIDGVVIVTRREWFEVVEKRV--FHEKVLGIVEGGDTRSQSVRSALEFL------EKFS-PSYVLVHDSARPFLRKKHVSEVLRRARETGAATLALKNSDALVRVEND-RIEYIPRKGVYRIL-TPQAFSYEILKKAHENGGEWADD--TEPVQ----KLGVKIALVEGDPLCFKVTFKEDLELARIIARE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150903 for 1744 contacts (-86.5/contact) +
2D Compatibility (PS) -22529 + (NN) -7931 + (LL) 16844
1D Compatibility (HY) -10400 + (ID) 3650
Total energy: -178569.0 ( -102.39 by residue)
QMean score : 0.204
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