Sotrovimab / 7jx3

A4DAB245_7jx3_C_D | Source PDB: 7jx3 | Chains: C, D | Done
49.57
Yes
10 Å
Yes
Avg A4D Score
-0.6934
Max Score
1.0571
Min Score
-3.2425
Total Score
-305.08
Score CDR
-0.6011
Score non-CDR
-0.7066

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVKPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVGRIKSKTDGGTTDYAAPVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCTTGSETYYYDSSGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKNFMLTQPHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNQVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.2425
Maximum Score 1.0571
Average Score -0.6934
Total Score -305.0846

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

Index Residue Chain A4D Score Classification
1 E C -2.0431 Soluble
2 V C -1.1005 Soluble
3 Q C -1.5090 Soluble
4 L C 0.0000 Buried
5 V C -0.0369 Soluble
6 E C 0.0000 Buried
7 S C -0.6236 Soluble
8 G C -0.9840 Soluble
9 G C -0.4376 Soluble
11 G C -0.2031 Soluble
12 L C 0.0899 Aggregation-prone
13 V C -0.5003 Soluble
14 K C -1.5009 Soluble
15 P C -1.6976 Soluble
16 G C -1.3929 Soluble
17 G C -1.1529 Soluble
18 S C -1.3139 Soluble
19 L C -1.0715 Soluble
20 R C -2.1653 Soluble
21 L C 0.0000 Buried
22 S C -0.6126 Soluble
23 C C 0.0000 Buried
24 A C -0.4858 Soluble
25 A C 0.0000 Buried
26 S C -0.8452 Soluble
27 G C -1.0485 Soluble
28 F C -0.6073 Soluble
29 T C -0.4585 Soluble
30 F C 0.0000 Buried
35 S C -1.1137 Soluble
36 N C -1.4121 Soluble
37 A C 0.0000 Buried
38 W C 0.0000 Buried
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 -0.7334 Soluble
45 A C -1.1284 Soluble
46 P C -0.9173 Soluble
47 G C -1.4768 Soluble
48 K C -2.3545 Soluble
49 G C -1.8178 Soluble
50 L C 0.0000 Buried
51 E C -1.1459 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 G C 0.0000 Buried
55 R C 0.0000 Buried
56 I C 0.0000 Buried
57 K C -1.6845 Soluble
58 S C 0.0000 Buried
59 K C -2.8145 Soluble
60 T C -2.1171 Soluble
61 D C -2.9761 Soluble
62 G C -2.0897 Soluble
63 G C -1.8756 Soluble
64 T C -1.0548 Soluble
65 T C -0.3513 Soluble
66 D C -0.5831 Soluble
67 Y C -0.6549 Soluble
68 A C -0.7607 Soluble
69 A C -0.6746 Soluble
70 P C -0.8983 Soluble
71 V C 0.0000 Buried
72 K C -2.0158 Soluble
74 G C -1.5410 Soluble
75 R C -1.4557 Soluble
76 F C 0.0000 Buried
77 T C -0.9621 Soluble
78 I C 0.0000 Buried
79 S C -0.4092 Soluble
80 R C -1.1267 Soluble
81 D C -1.4363 Soluble
82 D C -1.7524 Soluble
83 S C -1.5066 Soluble
84 K C -2.3128 Soluble
85 N C -1.7026 Soluble
86 T C -1.1073 Soluble
87 L C 0.0000 Buried
88 Y C -0.5744 Soluble
89 L C 0.0000 Buried
90 Q C -1.3381 Soluble
91 M C 0.0000 Buried
92 N C -1.6883 Soluble
93 S C -1.3219 Soluble
94 L C 0.0000 Buried
95 K C -2.2310 Soluble
96 T C -1.7087 Soluble
97 E C -2.2506 Soluble
98 D C 0.0000 Buried
99 T C -0.6278 Soluble
100 A C 0.0000 Buried
101 V C 0.4386 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 T C 0.0000 Buried
106 T C 0.0000 Buried
107 G C 0.0000 Buried
108 S C -0.1856 Soluble
109 E C -0.5792 Soluble
110 T C -0.0385 Soluble
111 Y C 0.4464 Aggregation-prone
111A Y C 0.3764 Aggregation-prone
111B Y C 0.4896 Aggregation-prone
112B D C -1.1913 Soluble
112A S C -0.8533 Soluble
112 S C 0.0000 Buried
113 G C 0.0000 Buried
114 P C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.1622 Soluble
117 Y C 0.0076 Aggregation-prone
118 W C -0.2202 Soluble
119 G C -0.5583 Soluble
120 Q C -1.1959 Soluble
121 G C -0.3892 Soluble
122 T C -0.0279 Soluble
123 L C 0.3850 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.2936 Soluble
126 V C 0.0000 Buried
127 S C -0.8617 Soluble
128 S C -0.7861 Soluble
129 A C -0.4689 Soluble
130 S C -0.5939 Soluble
131 T C -0.5660 Soluble
132 K C -1.0530 Soluble
133 G C -1.3605 Soluble
134 P C -0.6082 Soluble
135 S C -0.2857 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -0.8949 Soluble
139 L C 0.0000 Buried
140 A C -1.2601 Soluble
141 P C 0.0000 Buried
142 S C -1.1737 Soluble
143 S C -1.6759 Soluble
144 K C -2.1723 Soluble
145 S C -1.3101 Soluble
146 T C -0.9917 Soluble
147 S C -0.9924 Soluble
148 G C -0.8646 Soluble
149 G C -0.7216 Soluble
150 T C -0.4944 Soluble
151 A C -0.5657 Soluble
152 A C -0.0541 Soluble
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 -0.2975 Soluble
159 D C -0.4159 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.5500 Soluble
164 P C -0.7832 Soluble
165 V C -0.6643 Soluble
166 T C -0.6056 Soluble
167 V C -0.3209 Soluble
168 S C -0.3530 Soluble
169 W C 0.0000 Buried
170 N C -0.7307 Soluble
171 S C -0.6862 Soluble
172 G C -0.5782 Soluble
173 A C -0.2491 Soluble
174 L C -0.0067 Soluble
175 T C -0.2073 Soluble
176 S C -0.2850 Soluble
177 G C -0.3611 Soluble
178 V C 0.1307 Aggregation-prone
179 H C -0.1617 Soluble
180 T C -0.0010 Soluble
181 F C 0.0000 Buried
182 P C -0.0199 Soluble
183 A C 0.2554 Aggregation-prone
184 V C 0.0000 Buried
185 L C 1.0571 Aggregation-prone
186 Q C 0.2379 Aggregation-prone
187 S C -0.1767 Soluble
188 S C -0.2091 Soluble
189 G C -0.0159 Soluble
190 L C 0.1053 Aggregation-prone
191 Y C 0.3642 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 0.1572 Aggregation-prone
197 V C 0.0000 Buried
198 T C -0.1866 Soluble
199 V C 0.0000 Buried
200 P C -0.5852 Soluble
201 S C 0.0000 Buried
202 S C -0.7565 Soluble
203 S C -0.6779 Soluble
204 L C -0.8245 Soluble
205 G C -1.0001 Soluble
206 T C -0.7419 Soluble
207 Q C -1.2920 Soluble
208 T C -1.0668 Soluble
209 Y C 0.0000 Buried
210 I C -1.1636 Soluble
211 C C 0.0000 Buried
212 N C -1.3689 Soluble
213 V C 0.0000 Buried
214 N C -1.8989 Soluble
215 H C 0.0000 Buried
216 K C -2.7762 Soluble
217 P C -1.6069 Soluble
218 S C -1.8461 Soluble
219 N C -2.5073 Soluble
220 T C -1.9934 Soluble
221 K C -2.5759 Soluble
222 V C -1.5165 Soluble
223 D C -2.2251 Soluble
224 K C -1.7335 Soluble
225 K C -2.1635 Soluble
226 V C 0.0000 Buried
227 E C -2.7403 Soluble
228 P C -1.9278 Soluble
229 K C -2.4818 Soluble
1 N D -1.3051 Soluble
2 F D 0.0000 Buried
3 M D 0.5336 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.1640 Soluble
6 Q D 0.0000 Buried
7 P D -0.8925 Soluble
8 H D -1.6322 Soluble
9 S D -1.3066 Soluble
11 V D -0.6899 Soluble
12 S D -0.3835 Soluble
13 E D -0.8456 Soluble
14 S D -0.8850 Soluble
15 P D -1.2829 Soluble
16 G D -1.7952 Soluble
17 K D -2.2891 Soluble
18 T D -1.2204 Soluble
19 V D 0.0000 Buried
20 T D -0.0918 Soluble
21 I D 0.0000 Buried
22 S D -0.2718 Soluble
23 C D 0.0000 Buried
24 T D -0.2324 Soluble
25 R D 0.0000 Buried
26 S D -0.2979 Soluble
27 S D -0.6091 Soluble
28 G D -0.8443 Soluble
29 S D -0.8556 Soluble
30 I D 0.0000 Buried
35 A D -0.3079 Soluble
36 S D -0.3833 Soluble
37 N D -0.3490 Soluble
38 Y D 0.0788 Aggregation-prone
39 V D 0.0000 Buried
40 Q D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -0.7523 Soluble
44 Q D 0.0000 Buried
45 R D -1.8777 Soluble
46 P D -1.2569 Soluble
47 G D -1.0266 Soluble
48 S D -0.9750 Soluble
49 S D -0.7017 Soluble
50 P D 0.0000 Buried
51 T D -0.2083 Soluble
52 T D 0.0000 Buried
53 V D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.0000 Buried
56 E D -1.3364 Soluble
57 D D -1.4171 Soluble
65 N D -2.1893 Soluble
66 Q D -2.3849 Soluble
67 R D -2.1705 Soluble
68 P D -0.8653 Soluble
69 S D -0.8727 Soluble
70 G D -0.8127 Soluble
71 V D -0.7408 Soluble
72 P D -1.2348 Soluble
74 D D -2.2544 Soluble
75 R D -1.3061 Soluble
76 F D 0.0000 Buried
77 S D -1.3522 Soluble
78 G D -1.1881 Soluble
79 S D -0.9378 Soluble
80 I D -0.4916 Soluble
81 D D -1.1684 Soluble
82 S D -0.8995 Soluble
83 S D -0.7892 Soluble
84 S D -0.7600 Soluble
85 N D -0.8980 Soluble
86 S D 0.0000 Buried
87 A D 0.0000 Buried
88 S D -0.4558 Soluble
89 L D 0.0000 Buried
90 T D -0.2203 Soluble
91 I D 0.0000 Buried
92 S D -1.2595 Soluble
93 G D -1.3041 Soluble
94 L D 0.0000 Buried
95 K D -2.1844 Soluble
96 T D -1.6236 Soluble
97 E D -2.4663 Soluble
98 D D 0.0000 Buried
99 E D -1.5779 Soluble
100 A D 0.0000 Buried
101 D D -2.0484 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 S D 0.0000 Buried
107 Y D 0.0000 Buried
108 D D -0.9798 Soluble
109 S D -0.9174 Soluble
114 S D -0.8910 Soluble
115 N D -0.7655 Soluble
116 Q D 0.0000 Buried
117 V D 0.0000 Buried
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -1.0121 Soluble
121 G D -1.4591 Soluble
122 T D 0.0000 Buried
123 K D -2.2249 Soluble
124 L D 0.0000 Buried
125 T D -0.6598 Soluble
126 V D 0.0000 Buried
127 L D 0.6216 Aggregation-prone
128 G D -0.4676 Soluble
129 Q D -0.7934 Soluble
130 P D -1.3119 Soluble
131 K D -2.2304 Soluble
132 A D -1.3153 Soluble
133 A D -0.7890 Soluble
134 P D 0.0000 Buried
135 S D -0.3288 Soluble
136 V D 0.0000 Buried
137 T D -0.5149 Soluble
138 L D 0.0000 Buried
139 F D 0.0000 Buried
140 P D -0.0889 Soluble
141 P D 0.0000 Buried
142 S D 0.0000 Buried
143 S D -1.4700 Soluble
144 E D -1.8934 Soluble
145 E D 0.0000 Buried
146 L D -1.7420 Soluble
147 Q D -2.1367 Soluble
148 A D -1.6622 Soluble
149 N D -2.3626 Soluble
150 K D -1.9722 Soluble
151 A D 0.0000 Buried
152 T D 0.0000 Buried
153 L D 0.0000 Buried
154 V D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 I D 0.0000 Buried
158 S D 0.0000 Buried
159 D D -1.1871 Soluble
160 F D 0.0000 Buried
161 Y D -1.2035 Soluble
162 P D -0.9435 Soluble
163 G D -0.5352 Soluble
164 A D -0.1372 Soluble
165 V D -0.0036 Soluble
166 T D -0.0689 Soluble
167 V D 0.1571 Aggregation-prone
168 A D -0.3833 Soluble
169 W D 0.0000 Buried
170 K D -0.8232 Soluble
171 A D 0.0000 Buried
172 D D -1.2985 Soluble
173 S D -0.8747 Soluble
174 S D -0.7463 Soluble
175 P D -0.8047 Soluble
176 V D -0.7729 Soluble
177 K D -1.6338 Soluble
178 A D -0.7787 Soluble
179 G D -0.5738 Soluble
180 V D -0.3690 Soluble
181 E D -0.4095 Soluble
182 T D -0.0110 Soluble
183 T D 0.0095 Aggregation-prone
184 T D -0.1121 Soluble
185 P D -0.2486 Soluble
186 S D -0.5595 Soluble
187 K D -1.2130 Soluble
188 Q D -1.2714 Soluble
189 S D -1.1369 Soluble
190 N D -1.6489 Soluble
191 N D -1.7911 Soluble
192 K D -1.7336 Soluble
193 Y D -0.8314 Soluble
194 A D 0.0000 Buried
195 A D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 Y D 0.0000 Buried
199 L D 0.0000 Buried
200 S D -0.4173 Soluble
201 L D -0.7787 Soluble
202 T D -1.5650 Soluble
203 P D -2.1845 Soluble
204 E D -3.0734 Soluble
205 Q D -2.2940 Soluble
206 W D 0.0000 Buried
207 K D -3.2425 Soluble
208 S D -2.3781 Soluble
209 H D -2.5060 Soluble
210 R D -2.5961 Soluble
211 S D -1.5331 Soluble
212 Y D 0.0000 Buried
213 S D 0.0000 Buried
214 C D 0.0000 Buried
215 Q D -0.9929 Soluble
216 V D 0.0000 Buried
217 T D -0.6310 Soluble
218 H D 0.0000 Buried
219 E D -2.3016 Soluble
220 G D -1.4302 Soluble
221 S D -0.9296 Soluble
222 T D -0.6856 Soluble
223 V D -0.6605 Soluble
224 E D -1.9342 Soluble
225 K D -1.8088 Soluble
226 T D -0.9914 Soluble
227 V D -0.4135 Soluble
228 A D -0.8591 Soluble
229 P D -0.9390 Soluble
230 T D -0.5606 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 -0.7189 1.3335 CSV PDB
4.5 -0.7538 1.3089 CSV PDB
5.0 -0.794 1.2742 CSV PDB
5.5 -0.8303 1.2344 CSV PDB
6.0 -0.8519 1.1945 CSV PDB
6.5 -0.8506 1.1594 CSV PDB
7.0 -0.8269 1.1331 CSV PDB
7.5 -0.7887 1.238 CSV PDB
8.0 -0.7424 1.3923 CSV PDB
8.5 -0.6901 1.5499 CSV PDB
9.0 -0.6329 1.7079 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH