Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSV-----DAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGN--KDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDE-GT-NPKDIGLNNKGSVEGITYATKWFQDV-WPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK |
2ZYM Chain:A ((17-392)) | -------------------------------------KPDKLVVWENADDGVQLNNTKKWAGEFTKKTGIQVEVVPVALLKQQEKLTLDGPAGKGADLVTWPHDRLGEAVTKGLLQPIQVDNSVKNQFDDVAMKALTYGGKLYGLPKAIESVALIYNKKLMGQVPATYDELFQYAK----ANNKPDEQKYGVLFEANNFYYTYFLFAAKGAAVFKEQDGTLDPNEIGLNSPEAVQGMNEVQKWFTEARLPQSLKA-----DTVNGLFKSGKVAAVINGPWAIKDYQAAGINVGVAPLPKID-GKDAQTFIGVKGWYLSAYSKYPKYATELMQFLTSKEALASRFKETGEIPPQKELLNDPMIKNNPVVNGFAKQASKGVPMPSIPEMGVVWEPINNAHTFVAQGKQTPEQALNDAVKIMKEKI------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2ZYM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94484 for 3167 contacts (-29.8/contact) +
2D Compatibility (PS) -39328 + (NN) -14267 + (LL) 2592
1D Compatibility (HY) -23200 + (ID) 6250
Total energy: -174937.0 ( -55.24 by residue)
QMean score : 0.490
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