Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MYVCGPTVYDTAHIGNARSIVVYDVLFQLLKFCYGKATYVRNITDIDDKIINAANEKDSSIESISTYYTRAFHEDMRSINCVEPTHEPKAAENIKYIIELIEYLLQSGHAY----ESNKHIYFSIESYPEYGALSGKKIDELEHGSRVEVGENKKHPG-----DFVLWKPANDTDYKLSSYWNSPWGEGRPGWHIECSAMSYAYLGKDFDIHGGGIDLQFPHHENEIAQNKSAFAGSMFAKYWVHNGSLTVNKEKMSKSLFNIVKVRDLLDSGIKGEVIRYALFKTHYRKPLDWTESVISESQETLNKFYRLLRGIDVASIEKSDVEVSRDFIETLKNDLNIPEALAILHEMAT-KINKTNNENEKLKLTESFIKSARFIGLLESSYQEWFTAGISYQEIKRLIDLRKVAKQNKDYDAADKIRDQLKQMGVTISDNEDGTTTW |
| 3C8Z Chain:A ((42-408)) | MYVCGITPYDATHLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDPLFERAERDGIDWRTLGDRETQLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGAAYIVEDAEYPDVYFRADATAQFGYESGYDRDTMLT-LFAERGGDPDRPGKSDQLDALLWR----AERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGGGSDLIFPHHEYSAAHAESVTGERRFARHYVHTGMIG-------------VLVSQLRAQGVDPSAIRLGLFSGHYREDRFWSNEVLDEANARLARW----RSATALPEAPDATDVIARVRQYLADDLDTPKALAALDGWCTDALSYGGHDTESPRLVATTVDALLGVDL------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C8Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -125458 for 2822 contacts (-44.5/contact) +
2D Compatibility (PS) -36492 + (NN) -10989 + (LL) 5984
1D Compatibility (HY) -17600 + (ID) 5600
Total energy: -190155.0 ( -67.38 by residue)
QMean score : 0.545
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