Semantic Diff — protein_design-42d8392c-66ac-4be0-b933-7444ccfcd44e v6→v5
Summary: 2 fields changed; 10 metadata keys changed
Changes
| Field | Before | After | Interpretation |
|---|---|---|---|
| version_tag | binding-opt | stability-opt | |
| changelog | Interface mutations to enhance Aβ binding while maintaining stability gains | Introduced 3 stabilizing mutations from Rosetta energy minimization | |
| metadata.binding_affinity | {'kd_nm': 120, 'target': 'Aβ oligomers'} | {'kd_nm': 780, 'target': 'Aβ oligomers'} | |
| metadata.binding_improvement_fold | 7.08 | None | |
| metadata.delta_G_kcal | -1.8 | -2.3 | |
| metadata.design_rationale | Interface residue optimization for enhanced Aβ oligomer recognition. Slight stability trade-off accepted for 6.5x binding improvement. | Rosetta-guided mutations to improve thermostability without disrupting binding interface | |
| metadata.method | rosetta_interface_design | rosetta_relax | |
| metadata.mutations | ['T96S', 'K186R', 'A192V', 'H157Y', 'R62W'] | ['T96S', 'K186R', 'A192V'] | |
| metadata.plddt_score | 0.87 | 0.89 | |
| metadata.predicted_stability | 0.88 | 0.91 | |
| metadata.rosetta_energy | -43.8 | -45.2 | |
| metadata.sequence | MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLWVVSTALLFLLLLSLAALQLWQWGVAPSRQGPA | MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPSRQGPA |
Text Diff
--- v4
+++ v3
@@ -1,17 +1,16 @@
title: TREM2 Ectodomain Variant — AlphaFold Base
quality_score: 0.75
lifecycle_state: active
-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
+version_tag: stability-opt
+changelog: Introduced 3 stabilizing mutations from Rosetta energy minimization
+metadata.binding_affinity: {'kd_nm': 780, 'target': 'Aβ oligomers'}
+metadata.delta_G_kcal: -2.3
+metadata.design_rationale: Rosetta-guided mutations to improve thermostability without disrupting binding interface
+metadata.method: rosetta_relax
+metadata.mutations: ['T96S', 'K186R', 'A192V']
+metadata.plddt_score: 0.89
+metadata.predicted_stability: 0.91
+metadata.rosetta_energy: -45.2
+metadata.sequence: MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPSRQGPA
metadata.structure_pdb_url: None
metadata.uniprot_id: Q9NZC2