Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKEKFGIGKAHSKIILMGEHSVVYGYP-AIAIPLKNIEVTCLIEEAPQ-LIAL-DMT------------D--P----LSTAIFAALDYL---GKTSSKIAYHIESQVP----ERRGMGSSAAVAIAAIRAVFDYFDEDLEADLLECLVNRAEMIAHSNPSGLDAKTCLSENTIKFIRNI--GF--------------STVPM-------HLNAYLVIADTGIHGHTKEAVDKVKSSGEA----VLPFLKELGYLAEASEDAIHKSDSKQLGSLMTKAHQSLKQLG------VSSLEADHLVEVAISCGALGAKMSGGGLGGCIIALVKEKREAERLSQQLEREGAVNTWTEKV |
| 3K17 Chain:A ((5-349)) | ---NKLQVKIPGKLYVAGEYAVVESGHTAILTAVNRYI-TLTLEDSERNELWIPHYENPVSWPIGGELKPDGEHWTFTAEAINIATTFLKSEGIELTPVKMVIETELIDQSGAKYGLGSSAAATVAVINALMTKFYPEISMLKKFKLAALSHLVVQGNGSCGDIASCMYGGWIAYTTFDQEWVKHRLAYKSLEWFMKEPWPMLQIETLEEPVPTFSVGWTGTPVSTGKLVSQIHAFKQEDSKNYQHFLTRNNEIMKQIIQAFHTKDEELLYSSIKENRRILQELGTKAGVNIETSLLKELADSAENMG-GAGKSSGSGGGDCGIAFSKTKELAEKLVNEWEKLGIKHLPFHTG |
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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) -163389 for 2439 contacts (-67.0/contact) +
2D Compatibility (PS) -31153 + (NN) -12348 + (LL) 712
1D Compatibility (HY) -7600 + (ID) 3350
Total energy: -217128.0 ( -89.02 by residue)
QMean score : 0.482
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