Etesevimab / 7c01

A4DAB112_7c01_C_D | Source PDB: 7c01 | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6297
Max Score
1.6862
Min Score
-3.3798
Total Score
-272.65
Score CDR
-0.1226
Score non-CDR
-0.6929

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTVSSNYMSWVRQAPGKGLEWVSVIYSGGSTFYADSVKGRFTISRDNSMNTLFLQMNSLRAEDTAVYYCARVLPMYGDYLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDIVMTQSPSSLSASVGDRVTITCRASQSISRYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPEYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) C (Heavy), D (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 -3.3798
Maximum Score 1.6862
Average Score -0.6297
Total Score -272.6536

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

Index Residue Chain A4D Score Classification
1 E C -2.0216 Soluble
2 V C -1.1058 Soluble
3 Q C -1.1026 Soluble
4 L C 0.0000 Buried
5 V C 1.1736 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.2063 Soluble
8 G C -0.8314 Soluble
9 G C -0.7051 Soluble
11 G C -0.5295 Soluble
12 L C -0.0966 Soluble
13 V C 0.0000 Buried
14 Q C -1.6520 Soluble
15 P C -1.7727 Soluble
16 G C -1.4663 Soluble
17 G C -1.1678 Soluble
18 S C -1.4028 Soluble
19 L C -1.1664 Soluble
20 R C -2.0499 Soluble
21 L C 0.0000 Buried
22 S C -0.4175 Soluble
23 C C 0.0000 Buried
24 A C 0.4586 Aggregation-prone
25 A C 0.1442 Aggregation-prone
26 S C -0.5045 Soluble
27 G C -1.0772 Soluble
28 F C -0.4600 Soluble
29 T C -0.4036 Soluble
30 V C 0.0000 Buried
35 S C -0.8129 Soluble
36 S C -0.5264 Soluble
37 N C -0.2217 Soluble
38 Y C -0.0191 Soluble
39 M C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.8248 Soluble
45 A C -1.2255 Soluble
46 P C -0.9679 Soluble
47 G C -1.4668 Soluble
48 K C -2.3870 Soluble
49 G C -1.6238 Soluble
50 L C 0.0000 Buried
51 E C -1.2576 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 V C 0.0000 Buried
56 I C 0.0000 Buried
57 Y C 0.0256 Aggregation-prone
58 S C -0.3707 Soluble
59 G C -0.6114 Soluble
63 G C -0.5476 Soluble
64 S C -0.2207 Soluble
65 T C 0.1408 Aggregation-prone
66 F C 0.0303 Aggregation-prone
67 Y C -0.7545 Soluble
68 A C -1.5417 Soluble
69 D C -2.4986 Soluble
70 S C -1.8402 Soluble
71 V C 0.0000 Buried
72 K C -2.5556 Soluble
74 G C -1.8447 Soluble
75 R C -1.5670 Soluble
76 F C 0.0000 Buried
77 T C -0.8699 Soluble
78 I C 0.0000 Buried
79 S C -0.5656 Soluble
80 R C -0.8433 Soluble
81 D C -1.0121 Soluble
82 N C -1.4898 Soluble
83 S C -0.5658 Soluble
84 M C 0.2591 Aggregation-prone
85 N C -0.4307 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 F C -0.6014 Soluble
89 L C 0.0000 Buried
90 Q C -1.3751 Soluble
91 M C 0.0000 Buried
92 N C -1.7698 Soluble
93 S C -1.3731 Soluble
94 L C 0.0000 Buried
95 R C -2.3175 Soluble
96 A C -1.7260 Soluble
97 E C -2.2095 Soluble
98 D C 0.0000 Buried
99 T C -0.7467 Soluble
100 A C 0.0000 Buried
101 V C 0.2047 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.0113 Soluble
107 V C 0.0000 Buried
108 L C 0.5518 Aggregation-prone
109 P C 0.5790 Aggregation-prone
110 M C 1.4109 Aggregation-prone
111 Y C 1.6862 Aggregation-prone
112 G C 0.9756 Aggregation-prone
113 D C 0.5747 Aggregation-prone
114 Y C 0.0000 Buried
115 L C 0.0000 Buried
116 D C -0.1091 Soluble
117 Y C 0.1222 Aggregation-prone
118 W C -0.2806 Soluble
119 G C 0.0000 Buried
120 Q C -1.3885 Soluble
121 G C -0.5390 Soluble
122 T C -0.0135 Soluble
123 L C 0.1227 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.4681 Soluble
126 V C 0.0000 Buried
127 S C -0.7759 Soluble
128 S C -0.6630 Soluble
129 A C -0.5257 Soluble
130 S C -0.6887 Soluble
131 T C -0.8292 Soluble
132 K C -1.6792 Soluble
133 G C -1.6349 Soluble
134 P C 0.0000 Buried
135 S C -0.3707 Soluble
136 V C 0.0000 Buried
137 F C -0.8673 Soluble
138 P C -1.2325 Soluble
139 L C 0.0000 Buried
140 A C -0.8128 Soluble
141 P C 0.0000 Buried
142 S C -0.8965 Soluble
143 S C -0.9060 Soluble
144 K C -1.3965 Soluble
145 S C 0.0000 Buried
146 T C -0.8281 Soluble
147 S C -0.7794 Soluble
148 G C -0.8361 Soluble
149 G C -0.9100 Soluble
150 T C -0.6395 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.7010 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.4158 Soluble
164 P C -0.6303 Soluble
165 V C -0.5852 Soluble
166 T C -0.5203 Soluble
167 V C -0.3896 Soluble
168 S C -0.4083 Soluble
169 W C 0.0000 Buried
170 N C -0.8676 Soluble
171 S C -0.6901 Soluble
172 G C -0.4157 Soluble
173 A C -0.2258 Soluble
174 L C -0.0370 Soluble
175 T C -0.1612 Soluble
176 S C -0.1767 Soluble
177 G C -0.1305 Soluble
178 V C 0.1607 Aggregation-prone
179 H C -0.1328 Soluble
180 T C -0.0395 Soluble
181 F C 0.0000 Buried
182 P C -0.3394 Soluble
183 A C 0.1382 Aggregation-prone
184 V C 0.4390 Aggregation-prone
185 L C 0.9004 Aggregation-prone
186 Q C 0.1004 Aggregation-prone
187 S C -0.2740 Soluble
188 S C -0.3184 Soluble
189 G C -0.2444 Soluble
190 L C -0.1153 Soluble
191 Y C 0.2637 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1791 Soluble
199 V C 0.0000 Buried
200 P C -0.6291 Soluble
201 S C -0.5979 Soluble
202 S C -0.5753 Soluble
203 S C -0.5647 Soluble
204 L C -0.6322 Soluble
205 G C -0.9065 Soluble
206 T C -0.7177 Soluble
207 Q C -1.0823 Soluble
208 T C -1.2039 Soluble
209 Y C 0.0000 Buried
210 I C -1.5939 Soluble
211 C C 0.0000 Buried
212 N C -1.6662 Soluble
213 V C 0.0000 Buried
214 N C -1.8714 Soluble
215 H C 0.0000 Buried
216 K C -2.7809 Soluble
217 P C -1.6135 Soluble
218 S C -1.9533 Soluble
219 N C -2.6705 Soluble
220 T C -2.1656 Soluble
221 K C -2.6812 Soluble
222 V C -1.8338 Soluble
223 D C -2.9125 Soluble
224 K C -2.6400 Soluble
225 R C -3.0077 Soluble
226 V C 0.0000 Buried
227 E C -2.3618 Soluble
1 D D -1.5805 Soluble
2 I D -0.1710 Soluble
3 V D 0.8768 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.6155 Soluble
6 Q D 0.0000 Buried
7 S D -0.6962 Soluble
8 P D -0.5112 Soluble
9 S D -0.8387 Soluble
10 S D -0.8119 Soluble
11 L D -0.6108 Soluble
12 S D -0.9102 Soluble
13 A D -0.8672 Soluble
14 S D -0.6773 Soluble
15 V D 0.2900 Aggregation-prone
16 G D -0.6685 Soluble
17 D D -1.6955 Soluble
18 R D -2.2949 Soluble
19 V D 0.0000 Buried
20 T D -0.6349 Soluble
21 I D 0.0000 Buried
22 T D -0.8561 Soluble
23 C D 0.0000 Buried
24 R D -2.2336 Soluble
25 A D 0.0000 Buried
26 S D -1.0196 Soluble
27 Q D -1.7162 Soluble
28 S D -1.3374 Soluble
29 I D 0.0000 Buried
36 S D -1.0271 Soluble
37 R D -0.9980 Soluble
38 Y D 0.5194 Aggregation-prone
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.5608 Soluble
46 P D -1.2296 Soluble
47 G D -1.7386 Soluble
48 K D -2.5489 Soluble
49 A D -1.6108 Soluble
50 P D 0.0000 Buried
51 K D -1.1997 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.4386 Aggregation-prone
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D -0.3397 Soluble
66 S D 0.2258 Aggregation-prone
67 L D 0.2665 Aggregation-prone
68 Q D -0.2627 Soluble
69 S D -0.4361 Soluble
70 G D -0.5810 Soluble
71 V D 0.0000 Buried
72 P D -0.3910 Soluble
74 S D -0.4329 Soluble
75 R D -0.7072 Soluble
76 F D 0.0000 Buried
77 S D -0.3060 Soluble
78 G D -0.2276 Soluble
79 S D -0.8470 Soluble
80 G D -1.3408 Soluble
83 S D -1.4296 Soluble
84 G D -1.4971 Soluble
85 T D -2.0446 Soluble
86 D D -2.6275 Soluble
87 F D 0.0000 Buried
88 T D -0.8134 Soluble
89 L D 0.0000 Buried
90 T D -0.6063 Soluble
91 I D 0.0000 Buried
92 S D -1.3363 Soluble
93 S D -1.1257 Soluble
94 L D 0.0000 Buried
95 Q D -0.8332 Soluble
96 P D -1.3299 Soluble
97 E D -1.5165 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 T D -0.8854 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D 0.0000 Buried
108 Y D 0.7560 Aggregation-prone
109 S D -0.1299 Soluble
110 T D -0.2288 Soluble
113 P D -0.2970 Soluble
114 P D -0.3482 Soluble
115 E D -1.2742 Soluble
116 Y D 0.0000 Buried
117 T D -0.1369 Soluble
118 F D -0.0776 Soluble
119 G D 0.0000 Buried
120 Q D -1.4172 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.5152 Soluble
124 L D 0.0000 Buried
125 E D -1.3002 Soluble
126 I D 0.0000 Buried
127 K D -1.1249 Soluble
128 R D -0.6939 Soluble
129 T D 0.0636 Aggregation-prone
130 V D 0.6489 Aggregation-prone
131 A D 0.2511 Aggregation-prone
132 A D -0.0402 Soluble
133 P D 0.0000 Buried
134 S D -0.1714 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.7565 Soluble
140 P D -0.8411 Soluble
141 S D -1.6799 Soluble
142 D D -3.0316 Soluble
143 E D -3.2276 Soluble
144 Q D 0.0000 Buried
145 L D -2.3670 Soluble
146 K D -2.9073 Soluble
147 S D -1.8468 Soluble
148 G D -1.4897 Soluble
149 T D -1.3032 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.9271 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.4927 Soluble
162 R D -2.6677 Soluble
163 E D -3.0155 Soluble
164 A D -2.2616 Soluble
165 K D -2.3382 Soluble
166 V D -1.0738 Soluble
167 Q D -0.4582 Soluble
168 W D 0.0000 Buried
169 K D -0.4163 Soluble
170 V D 0.0000 Buried
171 D D -1.5704 Soluble
172 N D -1.2816 Soluble
173 A D -0.2641 Soluble
174 L D 0.6932 Aggregation-prone
175 Q D -0.2077 Soluble
176 S D -0.4158 Soluble
177 G D -0.8744 Soluble
178 N D -0.7449 Soluble
179 S D -1.0332 Soluble
180 Q D -1.2908 Soluble
181 E D -1.8879 Soluble
182 S D -0.9220 Soluble
183 V D -0.7559 Soluble
184 T D -0.6836 Soluble
185 E D -1.2537 Soluble
186 Q D 0.0000 Buried
187 D D -1.9555 Soluble
188 S D -2.0204 Soluble
189 K D -2.5853 Soluble
190 D D -2.0140 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6170 Soluble
199 L D 0.0000 Buried
200 T D -0.3887 Soluble
201 L D -0.6847 Soluble
202 S D -1.3025 Soluble
203 K D -2.1155 Soluble
204 A D -1.9507 Soluble
205 D D -2.7803 Soluble
206 Y D 0.0000 Buried
207 E D -3.3027 Soluble
208 K D -3.3798 Soluble
209 H D -2.6482 Soluble
210 K D -2.8444 Soluble
211 V D -1.2519 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.5031 Soluble
216 V D 0.0000 Buried
217 T D -1.0872 Soluble
218 H D 0.0000 Buried
219 Q D -1.6044 Soluble
220 G D -0.3134 Soluble
221 L D -0.1299 Soluble
222 S D -0.4018 Soluble
223 S D -0.3759 Soluble
224 P D -0.5237 Soluble
225 V D 0.1595 Aggregation-prone
226 T D -0.2117 Soluble
227 K D -0.5349 Soluble
228 S D -0.4767 Soluble
229 F D 0.0000 Buried
230 N D -2.0740 Soluble
231 R D -2.4017 Soluble
232 G D -2.1415 Soluble
233 E D -2.5982 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 -0.6574 2.2824 CSV PDB
4.5 -0.6984 2.2678 CSV PDB
5.0 -0.7465 2.2511 CSV PDB
5.5 -0.7933 2.2335 CSV PDB
6.0 -0.829 2.2156 CSV PDB
6.5 -0.8454 2.1977 CSV PDB
7.0 -0.8412 2.1797 CSV PDB
7.5 -0.8231 2.162 CSV PDB
8.0 -0.7971 2.1447 CSV PDB
8.5 -0.765 2.1287 CSV PDB
9.0 -0.7262 2.1145 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH