Etesevimab / 7c01

A4DAB112_7c01_H_L | Source PDB: 7c01 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.667
Max Score
1.5043
Min Score
-3.5398
Total Score
-288.8
Score CDR
-0.1147
Score non-CDR
-0.7358

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTVSSNYMSWVRQAPGKGLEWVSVIYSGGSTFYADSVKGRFTISRDNSMNTLFLQMNSLRAEDTAVYYCARVLPMYGDYLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDIVMTQSPSSLSASVGDRVTITCRASQSISRYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPEYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), L (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.5398
Maximum Score 1.5043
Average Score -0.667
Total Score -288.7959

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E H -2.0617 Soluble
2 V H -1.2060 Soluble
3 Q H -1.3690 Soluble
4 L H 0.0000 Buried
5 V H 0.2813 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5202 Soluble
8 G H -0.7391 Soluble
9 G H -0.3840 Soluble
11 G H -0.2308 Soluble
12 L H -0.0171 Soluble
13 V H 0.0000 Buried
14 Q H -1.7115 Soluble
15 P H -1.8362 Soluble
16 G H -1.5370 Soluble
17 G H -1.1639 Soluble
18 S H -1.2711 Soluble
19 L H -0.7662 Soluble
20 R H -1.6762 Soluble
21 L H 0.0000 Buried
22 S H -0.5021 Soluble
23 C H 0.0000 Buried
24 A H 0.1205 Aggregation-prone
25 A H 0.0000 Buried
26 S H -0.8936 Soluble
27 G H -1.1506 Soluble
28 F H -0.5045 Soluble
29 T H -0.3777 Soluble
30 V H 0.0000 Buried
35 S H -0.8417 Soluble
36 S H -0.4851 Soluble
37 N H -0.1936 Soluble
38 Y H 0.0165 Aggregation-prone
39 M H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7717 Soluble
45 A H -1.1575 Soluble
46 P H -0.9321 Soluble
47 G H -1.4646 Soluble
48 K H -2.3633 Soluble
49 G H -1.5789 Soluble
50 L H 0.0000 Buried
51 E H -1.1763 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 V H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H 0.0469 Aggregation-prone
58 S H -0.3531 Soluble
59 G H -0.6069 Soluble
63 G H -0.5011 Soluble
64 S H -0.2428 Soluble
65 T H 0.1177 Aggregation-prone
66 F H -0.0171 Soluble
67 Y H -0.7607 Soluble
68 A H -1.4486 Soluble
69 D H -2.4256 Soluble
70 S H -1.7729 Soluble
71 V H 0.0000 Buried
72 K H -2.4760 Soluble
74 G H -1.7597 Soluble
75 R H -1.3996 Soluble
76 F H 0.0000 Buried
77 T H -0.8105 Soluble
78 I H 0.0000 Buried
79 S H -0.4609 Soluble
80 R H -0.8884 Soluble
81 D H -1.0685 Soluble
82 N H -1.4878 Soluble
83 S H -0.5713 Soluble
84 M H 0.2910 Aggregation-prone
85 N H -0.4587 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 F H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.1799 Soluble
91 M H 0.0000 Buried
92 N H -1.6360 Soluble
93 S H -1.4099 Soluble
94 L H 0.0000 Buried
95 R H -2.4492 Soluble
96 A H -1.7906 Soluble
97 E H -2.2588 Soluble
98 D H 0.0000 Buried
99 T H -0.7402 Soluble
100 A H 0.0000 Buried
101 V H 0.2346 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.1038 Aggregation-prone
107 V H 0.0000 Buried
108 L H 0.4974 Aggregation-prone
109 P H 0.5158 Aggregation-prone
110 M H 1.2484 Aggregation-prone
111 Y H 1.5043 Aggregation-prone
112 G H 0.8103 Aggregation-prone
113 D H 0.4279 Aggregation-prone
114 Y H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.1399 Soluble
117 Y H 0.0472 Aggregation-prone
118 W H -0.4505 Soluble
119 G H 0.0000 Buried
120 Q H -1.5326 Soluble
121 G H -0.7134 Soluble
122 T H -0.1031 Soluble
123 L H 0.2074 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4182 Soluble
126 V H 0.0000 Buried
127 S H -0.9825 Soluble
128 S H -0.6733 Soluble
129 A H -0.4394 Soluble
130 S H -0.5505 Soluble
131 T H -0.5515 Soluble
132 K H -1.1794 Soluble
133 G H -1.4194 Soluble
134 P H -0.6623 Soluble
135 S H -0.2680 Soluble
136 V H 0.0000 Buried
137 F H -0.6736 Soluble
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -0.7849 Soluble
141 P H -0.7179 Soluble
142 S H -0.8752 Soluble
143 S H -1.3691 Soluble
144 K H -2.0472 Soluble
145 S H -1.4749 Soluble
146 T H -1.1034 Soluble
147 S H -0.9103 Soluble
148 G H -1.0419 Soluble
149 G H -0.8713 Soluble
150 T H -0.5921 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.6620 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4114 Soluble
164 P H -0.6546 Soluble
165 V H -0.7010 Soluble
166 T H -0.6250 Soluble
167 V H -0.4806 Soluble
168 S H -0.3939 Soluble
169 W H 0.0000 Buried
170 N H -0.7292 Soluble
171 S H -0.6061 Soluble
172 G H -0.3555 Soluble
173 A H -0.1779 Soluble
174 L H 0.0237 Aggregation-prone
175 T H -0.1375 Soluble
176 S H -0.1772 Soluble
177 G H -0.1689 Soluble
178 V H 0.1613 Aggregation-prone
179 H H -0.3237 Soluble
180 T H -0.1648 Soluble
181 F H 0.0000 Buried
182 P H -0.3397 Soluble
183 A H 0.1264 Aggregation-prone
184 V H 0.4002 Aggregation-prone
185 L H 0.8056 Aggregation-prone
186 Q H -0.1170 Soluble
187 S H -0.4232 Soluble
188 S H -0.3231 Soluble
189 G H -0.1440 Soluble
190 L H -0.0334 Soluble
191 Y H 0.2449 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1042 Soluble
199 V H 0.0000 Buried
200 P H -0.5135 Soluble
201 S H -0.7859 Soluble
202 S H -0.5916 Soluble
203 S H -0.6694 Soluble
204 L H -0.6815 Soluble
205 G H -0.9988 Soluble
206 T H -0.8261 Soluble
207 Q H -1.3148 Soluble
208 T H -1.1744 Soluble
209 Y H 0.0000 Buried
210 I H -1.2335 Soluble
211 C H 0.0000 Buried
212 N H -1.5488 Soluble
213 V H 0.0000 Buried
214 N H -2.1270 Soluble
215 H H 0.0000 Buried
216 K H -2.8890 Soluble
217 P H -1.5879 Soluble
218 S H -1.9073 Soluble
219 N H -2.7366 Soluble
220 T H -2.1890 Soluble
221 K H -2.7588 Soluble
222 V H -1.7651 Soluble
223 D H -2.6789 Soluble
224 K H -2.2024 Soluble
225 R H -2.5699 Soluble
226 V H 0.0000 Buried
227 E H -2.2311 Soluble
1 D L -1.5796 Soluble
2 I L -0.1633 Soluble
3 V L 1.0249 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.3754 Soluble
6 Q L 0.0000 Buried
7 S L -0.4710 Soluble
8 P L -0.5682 Soluble
9 S L -0.9150 Soluble
10 S L -0.9287 Soluble
11 L L -0.6597 Soluble
12 S L -1.1010 Soluble
13 A L -1.1853 Soluble
14 S L -1.1130 Soluble
15 V L -0.2406 Soluble
16 G L -0.9190 Soluble
17 D L -2.1055 Soluble
18 R L -2.4583 Soluble
19 V L 0.0000 Buried
20 T L -0.6020 Soluble
21 I L 0.0000 Buried
22 T L -0.7580 Soluble
23 C L 0.0000 Buried
24 R L -1.8263 Soluble
25 A L 0.0000 Buried
26 S L -0.9167 Soluble
27 Q L -1.5836 Soluble
28 S L -1.3108 Soluble
29 I L 0.0000 Buried
36 S L -0.8977 Soluble
37 R L -0.8451 Soluble
38 Y L 0.5181 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.7478 Soluble
46 P L -1.2916 Soluble
47 G L -1.6928 Soluble
48 K L -2.5428 Soluble
49 A L -1.6325 Soluble
50 P L 0.0000 Buried
51 K L -1.6109 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.4366 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L -0.3281 Soluble
66 S L 0.1330 Aggregation-prone
67 L L 0.3613 Aggregation-prone
68 Q L -0.2521 Soluble
69 S L -0.3843 Soluble
70 G L -0.5617 Soluble
71 V L 0.0000 Buried
72 P L -0.4051 Soluble
74 S L -0.4250 Soluble
75 R L -0.7552 Soluble
76 F L 0.0000 Buried
77 S L -0.3052 Soluble
78 G L -0.2934 Soluble
79 S L -0.8885 Soluble
80 G L -1.3781 Soluble
83 S L -1.4141 Soluble
84 G L -1.4449 Soluble
85 T L -1.9779 Soluble
86 D L -2.7138 Soluble
87 F L 0.0000 Buried
88 T L -0.8182 Soluble
89 L L 0.0000 Buried
90 T L -0.6048 Soluble
91 I L 0.0000 Buried
92 S L -1.3085 Soluble
93 S L -1.2686 Soluble
94 L L 0.0000 Buried
95 Q L -1.2974 Soluble
96 P L -1.7447 Soluble
97 E L -2.2986 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0191 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.3147 Aggregation-prone
108 Y L 0.5391 Aggregation-prone
109 S L -0.1393 Soluble
110 T L -0.2206 Soluble
113 P L -0.2802 Soluble
114 P L -0.2968 Soluble
115 E L -0.8728 Soluble
116 Y L 0.0000 Buried
117 T L -0.0409 Soluble
118 F L 0.0062 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.5890 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.0132 Soluble
124 L L 0.0000 Buried
125 E L -1.7998 Soluble
126 I L 0.0000 Buried
127 K L -1.6948 Soluble
128 R L -1.0491 Soluble
129 T L -0.2706 Soluble
130 V L 0.0179 Aggregation-prone
131 A L -0.0010 Soluble
132 A L -0.1913 Soluble
133 P L 0.0000 Buried
134 S L -0.1928 Soluble
135 V L 0.0000 Buried
136 F L 0.0437 Aggregation-prone
137 I L 0.0566 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6675 Soluble
140 P L -0.7951 Soluble
141 S L -1.6511 Soluble
142 D L -3.0279 Soluble
143 E L -3.2268 Soluble
144 Q L 0.0000 Buried
145 L L -2.2201 Soluble
146 K L -2.9656 Soluble
147 S L -1.8324 Soluble
148 G L -1.5232 Soluble
149 T L -1.3864 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.9786 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8415 Soluble
162 R L -2.9583 Soluble
163 E L -3.0979 Soluble
164 A L -2.1241 Soluble
165 K L -1.9366 Soluble
166 V L -0.8523 Soluble
167 Q L -0.3144 Soluble
168 W L 0.0000 Buried
169 K L -0.5232 Soluble
170 V L 0.0000 Buried
171 D L -1.7071 Soluble
172 N L -1.3093 Soluble
173 A L -0.2658 Soluble
174 L L 0.7089 Aggregation-prone
175 Q L -0.4107 Soluble
176 S L -0.7345 Soluble
177 G L -1.3640 Soluble
178 N L -1.7713 Soluble
179 S L -1.5277 Soluble
180 Q L -1.5592 Soluble
181 E L -1.8927 Soluble
182 S L -0.9678 Soluble
183 V L -0.7563 Soluble
184 T L -1.0535 Soluble
185 E L -2.0141 Soluble
186 Q L 0.0000 Buried
187 D L -2.2375 Soluble
188 S L -2.3407 Soluble
189 K L -2.7490 Soluble
190 D L -1.9673 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7967 Soluble
199 L L 0.0000 Buried
200 T L -0.7217 Soluble
201 L L -1.0028 Soluble
202 S L -1.3052 Soluble
203 K L -2.3771 Soluble
204 A L -2.1205 Soluble
205 D L -3.0005 Soluble
206 Y L 0.0000 Buried
207 E L -3.4437 Soluble
208 K L -3.5398 Soluble
209 H L -2.5798 Soluble
210 K L -2.5147 Soluble
211 V L -1.2115 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5197 Soluble
216 V L 0.0000 Buried
217 T L -1.0193 Soluble
218 H L 0.0000 Buried
219 Q L -1.7308 Soluble
220 G L -0.4836 Soluble
221 L L -0.2241 Soluble
222 S L -0.4277 Soluble
223 S L -0.4268 Soluble
224 P L -0.5653 Soluble
225 V L -0.0424 Soluble
226 T L -0.4325 Soluble
227 K L -0.7033 Soluble
228 S L -0.5319 Soluble
229 F L -1.0099 Soluble
230 N L -1.8954 Soluble
231 R L -2.3005 Soluble
232 G L -2.0147 Soluble
233 E L -2.4758 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6901 2.1258 CSV PDB
4.5 -0.7336 2.0978 CSV PDB
5.0 -0.7849 2.0815 CSV PDB
5.5 -0.8351 2.0648 CSV PDB
6.0 -0.8737 2.048 CSV PDB
6.5 -0.8914 2.0312 CSV PDB
7.0 -0.8869 2.0146 CSV PDB
7.5 -0.8674 1.9984 CSV PDB
8.0 -0.8394 1.9834 CSV PDB
8.5 -0.8053 1.9711 CSV PDB
9.0 -0.7645 1.962 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH