Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLNTLVCIIGLTSFSSSAKLVNAEHLDALYQKVTVANKTELGLIHIYSEFPDYRWV-KDPIEGVSAIDDVARAAIFYQRQYQATGSAADLEKVKSLVEFILY-QRADN-GYFYNFIYPDHSINKEYKTSVAEPNWWTWRALWALTQVYPTLVKTDNALAQRTRETIFATIDVIYKDFNFKQTRGEKEGVAVPEW--LPHTAGDQASVLLMALSDAQALEAKPEIEKMMRSLAAGIMLMQVKDTS---SPVNGAFLS----WQN--------LW-HGYGNS--QAYALLVAGNRLGDRDMIKAAFNELDHFHPWLISN--GLLNEFTVRQQGEKVTLIEQKKFSQIAYIIRPMVFANIKAWEISRDAVYLERAVDLSLWFFKNNPAQAQMYYPVTGIAFDGIDSATTVNKN--S-GAESTIEALLTLQLIESIPDAKRMLESALEKRNIKQ |
3GT5 Chain:A ((24-387)) | ----------------------------------PRCID-SAGGF-FH--YFRDDGSIYNATHRH---LVSSTRFVFNYAMAYLQFGTAEYLDAVHHGLSYVRDVHRNPATGGYAWTL-CDDRVEDDTNHC-----YGLAFVMLAYSCGLKV-G--IKQAREWMDETWCLLERHFWDA-----EYGLYKDEADAQWNFTRYRGQNANMHMCEAMLAAYEASGEQRYLERALVLADRITRRQAAKADGLVWEHYDMRWEVDWDYNRDNPKHLFRPWGFQPGHQTEWAKLLLILDRYIEVEWLVPVARSLFDVAVARSWDAVRGGLCYG-FAPDGTI-CDDDK-----YFWVQAESLAAAALLATRSGDERYWQWYDRLWAYAWQ------HMVDHRYGAWYRLLD-GDNRKYNDEKSPAGKTD-YHTMGACHEVL------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GT5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126279 for 2823 contacts (-44.7/contact) +
2D Compatibility (PS) -35732 + (NN) -14798 + (LL) 6828
1D Compatibility (HY) 2400 + (ID) 2350
Total energy: -169931.0 ( -60.20 by residue)
QMean score : 0.338
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