Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIMLSIKHLTKIYSGNKKAVDDISLDIQSGEFIAFIGTSGSGKTTALRMINRMIEATEGQIEIDGKDVRSMNPVELRRNIGYVIQQIGLMPHMTIKENIVLVPKLLKWTKEEKDKRAKELIKLVDLPESFLERYPAELSGGQQQRIGVVRALAAEQDIILMDEPFGALDPITRDTLQDLVKTLQRKLGKTFIFVTHDMDEAIKLADKICIMSEGKVVQFDTPDNILRHPANDFVRDFIGQNRLIQDRPNDKTVEGVMIKPITIQADATLNDAVHIMRQKRVDTIFVVDSNNHLLGFLDIEDINQGIRGHKSLRDTMQQHIYTVQIDSKLQDSVRTILKRNVRNVPVVDDKQRLVGLITRANVVDIVYDTIWGDSEDAVQTEHVGEDTVSSKMHEQHTTNVKVRDIGDDKS |
| 3PUW Chain:A ((2-239)) | -ASVQLQNVTKAW-GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQL-AHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKM----------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157124 for 1909 contacts (-82.3/contact) +
2D Compatibility (PS) -25637 + (NN) -8718 + (LL) 11684
1D Compatibility (HY) -20400 + (ID) 4550
Total energy: -204745.0 ( -107.25 by residue)
QMean score : 0.507
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