Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVQRKKISLIGAGNIGGALAHMVTLRELGDVVLFDVNDGIPQGKALDIAESSPIGGFSVNIIGTNRYGDIKNSDAIIITAGIARKPGMSRDDLLQTNAKVMKEVGENIRKYSPNAFVIVVTNPLDAMVSVVHKFSNLPANMIVGMAGVLDSSRFRYFLARELNISVEDVSAFVLGGHGDTMVPLIRCASIAGIPLTQIIDMGLITQEKVDEIVKRTRNGGKEIIDLLKSGSAYYAPASSSIYMLESYLRDEKRILPCATYLNGEYGVKDLFIGVPVIIGKNGIEKVLEVKMDDSEQEMFNKSVNAVKELVKSLSL |
4ND1 Chain:B ((2-313)) | --IERRKIAVIGSGQIGGNIAYIVGKDNLADVVLFDIAEGIPQGKALDITHSMVMFGSTSKVIGTNDYADISGSDVVIITASIPGRPKDDRSELLFGNARILDSVAEGVKKYCPNAFVICITNPLDVMVSHFQKVSGLPHNKVCGMAGVLDSSRFRTFIAQHFGVNASDVSANVIGGHGDGMVPATSSVSVGGVPLSSFIKQGLITQEQIDEIVCHTRIAWKEVADNLKTGTAYFAPAAAAVKMAEAYLKDKKAVVPCSAFCSNHYGVKGIYMGVPTIIGKNGVEDILELDLTPLEQKLLGESINEVNTISKVLDN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ND1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -281030 for 2805 contacts (-100.2/contact) +
2D Compatibility (PS) -33663 + (NN) -15570 + (LL) 260
1D Compatibility (HY) -32800 + (ID) 7950
Total energy: -370753.0 ( -132.18 by residue)
QMean score : 0.608
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