Semantic Diff — protein_design-b2b07c0b-5d8b-42e8-b68a-1b24b8dddecb v4→v6
Summary: 2 fields changed; 11 metadata keys changed
Changes
| Field | Before | After | Interpretation |
|---|---|---|---|
| version_tag | None | binding-opt | |
| changelog | None | Interface mutations to enhance Aβ binding while maintaining stability gains | |
| metadata.binding_affinity | {'kd_nm': 850, 'target': 'Aβ oligomers'} | {'kd_nm': 120, 'target': 'Aβ oligomers'} | |
| metadata.binding_improvement_fold | None | 7.08 | |
| metadata.delta_G_kcal | None | -1.8 | |
| metadata.design_rationale | Wild-type ectodomain structure as baseline for optimization | Interface residue optimization for enhanced Aβ oligomer recognition. Slight stability trade-off accepted for 6.5x binding improvement. | |
| metadata.method | alphafold | rosetta_interface_design | |
| metadata.mutations | [] | ['T96S', 'K186R', 'A192V', 'H157Y', 'R62W'] | |
| metadata.plddt_score | 0.89 | 0.87 | |
| metadata.predicted_stability | 0.72 | 0.88 | |
| metadata.rosetta_energy | None | -43.8 | |
| metadata.sequence | MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLTTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPTLQGPA | MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLWVVSTALLFLLLLSLAALQLWQWGVAPSRQGPA | |
| metadata.structure_pdb_url | https://alphafold.ebi.ac.uk/files/AF-Q9NZC2-F1-model_v4.pdb | None |
Text Diff
--- v2
+++ v4
@@ -1,13 +1,17 @@
title: TREM2 Ectodomain Variant — AlphaFold Base
quality_score: 0.75
lifecycle_state: active
-metadata.binding_affinity: {'kd_nm': 850, 'target': 'Aβ oligomers'}
-metadata.design_rationale: Wild-type ectodomain structure as baseline for optimization
-metadata.method: alphafold
-metadata.mutations: []
-metadata.plddt_score: 0.89
-metadata.predicted_stability: 0.72
-metadata.sequence: MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLTTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPTLQGPA
-metadata.structure_pdb_url: https://alphafold.ebi.ac.uk/files/AF-Q9NZC2-F1-model_v4.pdb
+version_tag: binding-opt
+changelog: Interface mutations to enhance Aβ binding while maintaining stability gains
+metadata.binding_affinity: {'kd_nm': 120, 'target': 'Aβ oligomers'}
+metadata.binding_improvement_fold: 7.08
+metadata.delta_G_kcal: -1.8
+metadata.design_rationale: Interface residue optimization for enhanced Aβ oligomer recognition. Slight stability trade-off accepted for 6.5x binding improvement.
+metadata.method: rosetta_interface_design
+metadata.mutations: ['T96S', 'K186R', 'A192V', 'H157Y', 'R62W']
+metadata.plddt_score: 0.87
+metadata.predicted_stability: 0.88
+metadata.rosetta_energy: -43.8
+metadata.sequence: MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLWVVSTALLFLLLLSLAALQLWQWGVAPSRQGPA
+metadata.structure_pdb_url: None
metadata.uniprot_id: Q9NZC2
-metadata.visualization_url: None