Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIMLSIKHLTKIYSGNKKAVDDISLDIQSGEFIAFIGTSGSGKTTALRMINRMIEATEGQIEIDGKDVRS--MNPVELRRNIGYVIQQIGLMPHMTIKENIVLVP-KLLKWTKEEKDKRAKELIKLVDLPESFLERYPAELSGGQQQRIGVVRALAAEQDIILMDEPFGALDPITRDTLQDLVKTLQRKLGKTFIFVTHDMDEAIKLADKICIMSEGKVVQFDTPDNILRHPANDFVRDFIGQNRLIQDRPNDKTVEGVMIKPITIQADATLNDAVHIMRQKRVDTIFVVDSNNHLLGFLDIEDINQGIRGHKSLRDTMQQHIYTVQIDSKLQDSVRTILKRNVRNVPVVDDKQRLVGLITRANVVDIVYDTIWGDSEDAVQTEHVGEDTVSSKMHEQHTTNVKVRDIGDDKS |
3C41 Chain:K ((3-240)) | --MIDVHQLKKSF-GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDK-AHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141599 for 1935 contacts (-73.2/contact) +
2D Compatibility (PS) -25349 + (NN) -10457 + (LL) 12256
1D Compatibility (HY) -20800 + (ID) 4300
Total energy: -190249.0 ( -98.32 by residue)
QMean score : 0.495
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