Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQ--TTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATH---------DALIHL--LAETTTEPFA--GQPL----------TTLATVSLAYNEQDVPILPDGTGYLVA---RTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV |
1SEZ Chain:A ((14-496)) | -KRVAVIGAGVSGLAAAYKLKIHGLNVT--VFEAEGKAGGKLRSVSQDGLIWDEGANTMTESEGDVTFLIDSLGLREK-------QQFPLSQNKRYIARNGTPVLLPSNPIDLIKSNFLSTGSKLQMLLEPILW-----SHESVSGFFQRHFGKEVVDYLIDPFVAGTCGGDPDSLSMHHSFPELWNLEKRFGSVILGAIRSKLSKTSANKKRQRGSFSFL-GGMQTLTDAICKDLREDELRLNSRVLEL-------SCSCTEDSAIDSWSIISASPHKRQSEEESFDAVIMTAPLCDVKSMKIAKRGNPFLLNFIPEVDYVPLSVVITTFKRENVKYPLEGFGVLVPSKEQQHGLKTLGTLFSSMMFPDRAPNNVYLYTTFVGGSRNRELAKASRTELKEIVTSDLKQLLGAEGEPTYVNHLYWSKAFPLYGHNYDSVLDAIDKMEK-NLPGLFYAGNHRGGLSVGKALSSGCNAADLVISYLESV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SEZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193834 for 3646 contacts (-53.2/contact) +
2D Compatibility (PS) -46339 + (NN) -11471 + (LL) 1636
1D Compatibility (HY) -29200 + (ID) 6050
Total energy: -285258.0 ( -78.24 by residue)
QMean score : 0.448
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