Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDSAPPSNETEIRFSVLLVDDEPLILSSLRRLLRNQPYDLLLAESGEQALQLLESRPVDLVVSDARMPNMDGAALLAEIHRRSPETIRILLTGHADLPTIAKAINEGRIHHYLSKPWNDDELLLTLRQSLEYLHSERERRRLERLTQEQNDRLQQLNATLEKRVQARTAELQQTADMLDLAYEELKRSYVVGTEVFSLLVNQRLPKDKQTNQQIIELVRACCASGLVDESDGRDLAMAAALYNIGKLSWNDTLLSSPSDLLYHHDRDRFRGYPELSESLLMSLEPMQDAARLIRHHQEHWDGSGYPDHLKGEAIPLGSRLLKLAVDFVELQRGLILERRMNRDEALMYIRKYAGRLYDPELIEPFIQVCATTLADVTLADPQVRAHGTRDLVPGMVLARNLTANNGMLLLNAGKVLNLALIEKLIAFEAIEGARYTLFVRLPESTT |
2JK1 Chain:A ((3-129)) | ---------------AILLVDDEPHSLAAMKLALEDD-FDVLTAQGAEAAIAILEEEWVQVIICDQRMPGRTGVDFLTEVRERWPETVRIIITGYTDSASMMAAINDAGIHQFLTKPWHPEQLLSSARNAARMFTLARENERL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JK1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84061 for 988 contacts (-85.1/contact) +
2D Compatibility (PS) -14201 + (NN) -14326 + (LL) 23920
1D Compatibility (HY) -10800 + (ID) 2450
Total energy: -101918.0 ( -103.16 by residue)
QMean score : 0.812
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