Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKIIVEGGQTRLQGQVVIEGAKNAVLPLLAATILPSQGKTLLTNVPILSDVFTMNNVVRGLDIQVDFNCDKKEILVDASGDILDVAPYEFVSQMRASIVVLGPILARNGHAKVSMPGGCTIGSRPIDLHLKGLEAMGATITQNGGDITAQAEKLKGANIYMDF--PSVGATQNLMMAATLASGTTTIENAAREPEIVDLAQLLNKMGAKVKGAGTETLTIIGVDALHGTEHDVVQDRIEAGTFMVAAAMTSGNVLVKDAIWEHNRPLISKLMEMGVEVSEEEDGIRVKADTKKLKPVTVKTLPHPGFPTDMQAQFTALMAVVNGESTMIETVFENRFQHLEEMRRMGLQTEILRDTAMIHGGRALQGAPVMSTDLRASAALILAGMVAQGQTVVGQLTHLDRGYYQFHEKLAALGANIKRVSEA |
2YVW Chain:A ((10-424)) | RDYFVIRGGK-PLTGKVKISGAKNAALPIMFATILTEE-PCTITNVPDLLDVRNTLLLLRELGAELEFLNN--TVFINPSI-NSFITNQEIIRRMRASVLSLGPLLGRFGRAVVGLPGGCSIGARPIDQHLKFFKEAGADVEVREGYVYVNLKEKRRVHFKFDLVTVT-GTENALLYLASV-PEESILENIALEPEVMDLIEVLKKMGAHVKVEG-RSAYVKGSENLKGFTHSVIPDRIEAGTFMVGAVLTDGEILLENARINHLRAVVEKLKLIGGEVVEENGNLRVFRK-ESLRACDIETQVYPGFPTDMQAQFMALLSVAKGKSRIKENIFEHRFHHAQELNRLGANITVRGNTAYVEGVERLYGSEVYSTDLRASASLVLAGLVAQGETVVRDVYHLDRGYEKLEEKLKKLGADIERVSE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YVW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -261441 for 3857 contacts (-67.8/contact) +
2D Compatibility (PS) -44575 + (NN) -12787 + (LL) 516
1D Compatibility (HY) -33200 + (ID) 8900
Total energy: -360387.0 ( -93.44 by residue)
QMean score : 0.494
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