Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSVVVVGTQWGDEGKGKITDFLSADAEVIARYQGGDNAGHTIVIDNKKFKLHLIPSGIFFKEKISVIGNGVVVNPKSLVKELAYLHGEGVTTDNLRISDRAHVILPYHIKLDQLQEDAKGDNKIGTTIKGIGPAYMDKAARVGIRIADLLDREVFAERLKINLAEKNRLFEKMYDSTPLEFDDIFEEYYEYGQQIKQYVTDTSVILNDALDAGKRVLFEGAQGVMLDIDQGTYPFVTSSNPVAGGVTIGSGVGPSKINKVVGVCKAYTSRVGDGPFPTELFDEVGDRIREIGKEYGTTTGRPRRVGWFDSVVMRHSRRVSGITNLSLNSIDVLSGLDTVKICVAYDLDGKRIDYYPASLEQLKRCKPIYEELPGWSEDITACRSLDDLPENARNYVRRVGELVGVRISTFSVGPGREQTNILESVWSNI |
3R7T Chain:A ((6-419)) | -KADIIVGIQWGDEGKGKVVDKLCENYDFVCRSAGGHNAGHTIWVNGVRYALHLMPSGVLHPRCINIIGNGVVVSPEVLIAEMAQFENLK---GRLYISDRAHLNLKHHSLIDIAKEKLKGK--------GIGPSYADKINRTGHRVGELLEPQRLCEALIKDFEANKTFFEMLEIE-IPSAEELLADLKRFNEILTPYITDTTRMLWKALDEDKRVLLEGAQGSMLDIDHGTYPYVTSSSTISAGTLTGLGLNPKEAGNIIGIVKAYATRVGNGAFPTEDKGEDGEKIAQIGKEIGVSTGRKRRCGWFDAVAVRYTARLNGLDALSLMKLDVLDGFEKIKICRAYEYKGMEIDYIPSD---LENVQPIYEEMDGWDK-VFGIKDYDLLPENAKKYIARLEELAGVKVKYISTSPERDDTIIL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R7T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163320 for 3560 contacts (-45.9/contact) +
2D Compatibility (PS) -43629 + (NN) -14915 + (LL) 1788
1D Compatibility (HY) -33600 + (ID) 8950
Total energy: -262626.0 ( -73.77 by residue)
QMean score : 0.471
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