Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGRIVKSLAGFYYVESDGVVYQTRARGNFRKKGQIPYVGDWVEFSSQDQSEGYILSIEERKNSLVRPPIVNIDQAVVIMSAKEPDFNANLLDRFLVLLEYKMIQPIIYISKLDLLDDLVVIDDIREHYQNIGYVFCYSQEELLPLLADKVT-------VFMGQTGVGKSTLLNKIAPELKLETGEISDSLGRGRHTTRAVSFYNVHKG-KIADTPGFSSLDYEVDNAEDLNESFPELRRLSHFCKFRSCTHTHEPKCAVKEALTQGQLWQVRYDNYLQFLSEIENRRETYKKVIKRK |
3CNN Chain:A ((42-153)) | --------------------------------------------------------------------------------------------------VDFSRKETIILLNKVDIADEKTTKKWVEFFKKQGKRVITTHKGEPRKVLLKKLSFDRLARVLIVGVPNTGKSTIINKL-------KGKRA-----------GIQWFSLENGVKILDTPGILYKNIFSEDLAAKLLLVGSLPVERIEDQRIFERAFEIFARSIGIESSFSEFFEDFARKRGLLKKGGVPDIERALMLFFTE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CNN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41714 for 515 contacts (-81.0/contact) +
2D Compatibility (PS) -9755 + (NN) -1621 + (LL) 7560
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -50330.0 ( -97.73 by residue)
QMean score : 0.236
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