Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTHVFEVYPKVNVFLKILHK-EGAYHKIISRMCLVKNKLKDIISVKN-ALSFSL---KG--DFD---C--P--LEENSLFKALQVLKKFLVQKNFSHSVIKSLDTLAIEVEKNIP----TQAGLGGGSADAGGLLYHLNQMFDWRLSLKELYTMGSLV---------GADTNFFISQYKSANAT-SYGEVI--------------ENFEE------ESLEDRLEIYAPNHVFCSTKAVYQAYKPETCFFQ-------------AKEWLKKTSLECLK---TYDRNELNDLLKPAL-----RTNPALKDIESQL---SKEWFFSGSGS--AFFRLKNTQKGANETHCQQ |
3K17 Chain:A ((6-332)) | -KLQVKIPGKLYVA----GEYAVVESGHTAILTAVN-RYITLTLEDSERNELWIPHYENPVSWPIGGELKPDGEHWTFTAEAINIATTFLKS------EGIELTPVKMVIETELIDQSGAKYGLGSSAAATVAVINALMTKFYPEISMLKKFKLAALSHLVVQGNGSCGDIASCMYGG-WIAYTTFDQEWVKHRLAYKSLEWFMKEPWPMLQIETLEEPVPTFSVGWT-GTPVSTGKLVSQIHAFKQEDSKNYQHFLTRNNEIMKQIIQAFHTKDEELLYSSIKENRRILQELGTKAGVNIETSLLKELADSAENMGGAGKSSGSGGGDCGIAFSKTKELAEKLVNEW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K17.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78775 for 1972 contacts (-39.9/contact) +
2D Compatibility (PS) -26358 + (NN) 1658 + (LL) 836
1D Compatibility (HY) -800 + (ID) 1700
Total energy: -105139.0 ( -53.32 by residue)
QMean score : 0.327
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