Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRA-----TGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRDLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSS |
3A61 Chain:A ((19-299)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FELLRVLGKGGYGKVF--QVRKVTGANTGKIFAMKVLK--------------AERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGI--FMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFG---------------GTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGE----NRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKP--------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A61.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -128632 for 1935 contacts (-66.5/contact) +
2D Compatibility (PS) -26539 + (NN) -12957 + (LL) 19196
1D Compatibility (HY) -26400 + (ID) 5350
Total energy: -180682.0 ( -93.38 by residue)
QMean score : 0.502
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