Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFAKGILAALALAAAVGQASATELEHWPAPAARQLNALIEANANKGAYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPSLKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLKNRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDRWKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQINGMIKQHSAAQAKAGLPVTADRNWVIVTPEQIQ |
4AS2 Chain:A ((1-327)) | ----------------------TELEHWPAPAARQLNALIEANANKGAYAVFDMDNTSYRYDLEESLLPYLEMKGVLTRDRLDPSLKLIPFKDQAGHKESLFSYYYRLCEIDDMVCYPWVAQVFSGFTLRELKGYVDELMAYGKPIPATYYDGDKLATLDVEPPRVFSGQRELYNKLMENGIEVYVISAAHEELVRMVAADPRYGYNAKPENVIGVTTLLKNRKTGELTTARKQIAEGKYDPKANLDLEVTPYLWTPATWMAGKQAAILTYIDRWKRPILVAGDTPDSDGYMLFNGTAENGVHLWVNRKAKYMEQINGMIKQHSAAQAKAGLPVTADRNWVIVTPEQIQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AS2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177555 for 2793 contacts (-63.6/contact) +
2D Compatibility (PS) -35902 + (NN) -19386 + (LL) 2424
1D Compatibility (HY) -46000 + (ID) 16350
Total energy: -292769.0 ( -104.82 by residue)
QMean score : 0.629
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