Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LAQLSLEHIYKIYDNKVTAVSDFNLEIDDKEFIVFVGPSGCGKSTTLRMIAGLEEISKGELSIDGKVMNNVAPKDRDIAMVFQNYALYPHMTVYDNMAFGLKLRKMPKDEIKKRVEHAANILGLTEYLKRKPSALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRAEITKLHQQLDTTMIYVTHDQTEAMTMATRIVIMKDGVIQQVGSPKQVYDHPVNMFVAGFIGSPAMNFFKGRLEGSNFIGDDFTIEVPEGKLKLLKDRGFD---GKNIVFGIRPEDIHDEPIVIEANPGYTFKATTIVAELTGAEFMLHSRVGTHEFVARVDARSEHQPNEVLTLAFEMSKSHFFDPETEDNLTD |
3PUV Chain:A ((2-290)) | -ASVQLQNVTKAW-GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHL------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156180 for 2171 contacts (-71.9/contact) +
2D Compatibility (PS) -30726 + (NN) -10125 + (LL) 5468
1D Compatibility (HY) -30800 + (ID) 7500
Total energy: -229863.0 ( -105.88 by residue)
QMean score : 0.516
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