Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MITKFPDQWQDKLTQRQFDDLTDIQNKLFQAITDG--DNILGISPTGTGKTLAYLFPTLLKLQP-KKSQQLLILAPNSELAGQIFDVTKEWAEPLGLTAQLFLSGSSQKRQIERLKKGPEILIGTAGRVFELVKLKKIKMMNINTIVLDEFDELLGDSQ-YHFVDNIINRVPRDQQMIYISATNKLDNSKLADN------TITIDLSDQKLDTIKHYYITVDK-RERTDLLRKFS-NIPDFRGLVFFNSLSDLGACEERLQFNRASAVSLASDINIKFRKVILEKFKNHDISLLLGTDLVARGIDIDNLEYVINFDIAR------DKETYTHRSGRTGRMGKEGCVITFVTHKEELKQLKKYATVAELVLHNQKLHLK |
| 3PEY Chain:A ((13-356)) | -----APELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTKITSQLIVPDSF--EK--NKQINAQVIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGLMTIGSSIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFVHDKNSFNILSAIQKYFGDIEMTRVPTDD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171793 for 2757 contacts (-62.3/contact) +
2D Compatibility (PS) -35411 + (NN) -19122 + (LL) 1152
1D Compatibility (HY) -24000 + (ID) 4400
Total energy: -253574.0 ( -91.97 by residue)
QMean score : 0.522
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