Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MELESLFQDIMDGFAVYNNKVAVAVSGGIDSIVLLHLITSWAEKRQCPPPIALAVNHGLRP-ESQEEVEFVVSYAKELGVKKSFILNWKRQNIKG-------NVQSQARKARYELLTEWCKNNDVKHLFIAHHKDDQAETFLLRLERGSGLDGLSSMDYKSSLNGVCMLRPLLSFSRSRIKKYADFYRLKWVEDRSNQSLKYKRTLYRNLLKASGNQEILTERICLTTLHIKRATKALMHYTRLAFNDCVNVHDLGYIEIKLSEFYKLPEEIALRLLLYSIMVISSKHYKPRYNSLIAIFNKVLQKDNDVHCTLSGCKIRKYGESILIIRESSKIQEISVSLPLNAPIEWDNRFSCTILGNQECSVTIAPLKKTQKIPKFLKDYDCCPEVFYSLPVVLKDGKVLAYLHLNHDRKNINGDEVQCIINSTIKQNLVILAGI |
| 3A2K Chain:A ((21-204)) | --------------------VIVGVSGGPDSLALLHVFLSLRDEWKLQV-IAAHVDHMFRGRESEEEMEFV----KRFCVERRILCETAQIDVPAFQRSAGLGAQEAARICRYRFFAELMEKHQAGYVAVGHHGDDQVETILMRLVRGSTSKGYAGIPVKRPFHGGYLIRPFLAVSRAEIEAYCRQMGLSPRCDPSNEKDDYTRNRFRHHIVPLLRQENPRLHERFQQYSEMMAEDEQFLEELAADALNKVMEKQHRDAALSIGPFLELPRPLQRRVLQLLLLRLYGGVPPTLTSVHIGHILMLCERGRPSGMIDLPKGLKVIRSYDRCLFTFDAESGEKGYWFELPVPALLPLPNGYAIISEFGEHYPRKQAGNDWFVVDPASVSLPLRVRTRRRGDRMVLKGTGGTKKLKEIFIEAKIPRMERDRWPIVEDADGRIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A2K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -66055 for 1282 contacts (-51.5/contact) +
2D Compatibility (PS) -19100 + (NN) -4373 + (LL) 1804
1D Compatibility (HY) -14000 + (ID) 3100
Total energy: -104824.0 ( -81.77 by residue)
QMean score : 0.491
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