Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYP--SPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKA-----DGSPPTNWVSKFGGN-AWE--KLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ |
3UCQ Chain:A ((107-297)) | ------------------------AGTLKGVEERLDYLEGLGVKYLHLMPLLRPREGENDGGYAVQDYRAVRPDLGTMDDLSALARALRGRGISLVLDLVLNHVAREHAWAQKARAGDPKYRAYFHLFPDRRGPDAFEATLPEIFPDFAPGNFSWDEEIGEGEGGWVWTTFNSYQWDLNWANPDVFLEFVDIILYLANRGVEVFRLDAIAFIWK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UCQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -74191 for 1306 contacts (-56.8/contact) +
2D Compatibility (PS) -19077 + (NN) -10069 + (LL) 22176
1D Compatibility (HY) -15600 + (ID) 3300
Total energy: -100061.0 ( -76.62 by residue)
QMean score : 0.453
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