Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSAIFVLSGFLAFLLYALLLYGLLLERHNKEAEKILLDLNKKDEQAIDLNLEDLPSEKKNEKIEKVTEKQGDFLEPKEEPKEEPEESLEDIFSSLNDFQEKTDKNAQKDEQKNEQEEQRRLREQQRLKQNQENQEMLKGLQQN-LNQFTQKLESVKNKTLDLQIPKQDGVDEKAYQEWYAQIYQILYKGWRGVFYHKASVSVLIMITKDGEFDYTILSYSDFKDYNKSVMTLLDDLKKVDFPPYPGGNMISIKVNFTTKEEQ |
3K6B Chain:A ((27-120)) | ----------------------------------------------------------EKHRKKVDKVMKEWGDLETRYNEQKAKDPKGAEKFKSQMNARFQKTVSSL--------EEEHKRMRKEIEAVHEERVQAMLNEKKRDATHDYRQALATHVNKPNKHSVLQSLKAYIRAEEKDRMHTLNRYRHLLKADSKEAAAYKPTVIHRLRYIDLRINGTLAMLRDFPDLEKYVRPIAVTYWKDYRDEVSPDISVEDS------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K6B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 31416 for 434 contacts (72.4/contact) +
2D Compatibility (PS) -10432 + (NN) -6677 + (LL) 6164
1D Compatibility (HY) -800 + (ID) 1250
Total energy: 18421.0 ( 42.44 by residue)
QMean score : 0.435
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