Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQKYEKLEKIGEGTYGTVFKAKNRE--THEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVL--HSDKKLTLVFEFCDQDLKKYFDSC----NGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLI----NRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDV----DDQLKRIFRLLGTPTEEQWPSMTKLPDYKP----YP--MYPATTSLVNV----VPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP |
4F6U Chain:A ((27-341)) | -------CKVGRGTYGHVYKAKRKDGKDDKDYALKQIE----GTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASK-VQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGF--------------VVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLT-SEPIFHCRQENPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYT-NCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLP |
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General information:
TITO was launched using:
| RESULT:
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Template: 4F6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140164 for 1942 contacts (-72.2/contact) +
2D Compatibility (PS) -27634 + (NN) -14580 + (LL) 2056
1D Compatibility (HY) -30400 + (ID) 5550
Total energy: -216272.0 ( -111.37 by residue)
QMean score : 0.562
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