Tixagevimab / 7e3k

A4DAB270_7e3k_H_L | Source PDB: 7e3k | Chains: H, L | Done
95.26
Yes
10 Å
Yes
Avg A4D Score
-0.8221
Max Score
1.2787
Min Score
-3.8393
Total Score
-358.42
Score CDR
-0.6885
Score non-CDR
-0.8398

Calculation Parameters

Chain Sequence(s) QMQLVQSGPEVKKPGTSVKVSCKASGFTFSGSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQRFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSSTSCRDGFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEIVLTQSPGTLSLSPGERATLSCRASQSVRSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGRSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.8393
Maximum Score 1.2787
Average Score -0.8221
Total Score -358.4207

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

Index Residue Chain A4D Score Classification
1 Q H -1.3623 Soluble
2 M H -0.6307 Soluble
3 Q H -0.8011 Soluble
4 L H 0.0000 Buried
5 V H 0.8715 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5341 Soluble
8 G H -0.7308 Soluble
9 P H -0.6490 Soluble
11 E H -0.7364 Soluble
12 V H 0.4784 Aggregation-prone
13 K H -0.9866 Soluble
14 K H -2.0818 Soluble
15 P H -2.2041 Soluble
16 G H -1.5307 Soluble
17 T H -1.2779 Soluble
18 S H -1.3615 Soluble
19 V H 0.0000 Buried
20 K H -2.0291 Soluble
21 V H 0.0000 Buried
22 S H -0.4877 Soluble
23 C H 0.0000 Buried
24 K H -0.4491 Soluble
25 A H 0.0000 Buried
26 S H -0.5317 Soluble
27 G H -0.8132 Soluble
28 F H -0.2886 Soluble
29 T H -0.1378 Soluble
30 F H 0.0000 Buried
35 S H -0.4870 Soluble
36 G H -0.6078 Soluble
37 S H 0.0000 Buried
38 A H -0.0794 Soluble
39 V H 0.0000 Buried
40 Q 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 0.0000 Buried
45 A H -1.8366 Soluble
46 R H -2.5742 Soluble
47 G H -2.4112 Soluble
48 Q H -2.9621 Soluble
49 R H -3.0214 Soluble
50 L H 0.0000 Buried
51 E H -0.9146 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.1869 Soluble
56 I H 0.0000 Buried
57 V H -0.4255 Soluble
58 V H 0.0000 Buried
59 G H -0.8586 Soluble
62 S H -0.8213 Soluble
63 G H -0.9245 Soluble
64 N H -1.5616 Soluble
65 T H -1.0868 Soluble
66 N H -1.5774 Soluble
67 Y H -1.6781 Soluble
68 A H 0.0000 Buried
69 Q H -3.1325 Soluble
70 R H -3.2615 Soluble
71 F H 0.0000 Buried
72 Q H -3.6140 Soluble
74 E H -3.6026 Soluble
75 R H -3.1047 Soluble
76 V H 0.0000 Buried
77 T H -1.3520 Soluble
78 I H 0.0000 Buried
79 T H -0.7614 Soluble
80 R H -0.7830 Soluble
81 D H -0.8059 Soluble
82 M H -0.2496 Soluble
83 S H -0.3147 Soluble
84 T H -0.4325 Soluble
85 S H -0.5257 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6546 Soluble
89 M H 0.0000 Buried
90 E H -1.7476 Soluble
91 L H 0.0000 Buried
92 S H -1.6141 Soluble
93 S H -1.1051 Soluble
94 L H 0.0000 Buried
95 R H -2.6058 Soluble
96 S H -2.1812 Soluble
97 E H -2.3219 Soluble
98 D H 0.0000 Buried
99 T H -0.7736 Soluble
100 A H 0.0000 Buried
101 V H -0.0843 Soluble
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 A H 0.0000 Buried
107 P H -0.5553 Soluble
108 Y H -0.2573 Soluble
109 C H 0.0000 Buried
110 S H -0.3471 Soluble
111 S H -0.3844 Soluble
111A T H -0.2711 Soluble
112B S H -0.6285 Soluble
112A C H -0.8949 Soluble
112 R H -2.2059 Soluble
113 D H -2.3727 Soluble
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.9554 Soluble
117 I H 0.0000 Buried
118 W H -0.4410 Soluble
119 G H 0.0000 Buried
120 Q H -1.2617 Soluble
121 G H -0.5698 Soluble
122 T H 0.0000 Buried
123 M H -0.1645 Soluble
124 V H 0.0000 Buried
125 T H -0.2650 Soluble
126 V H 0.0000 Buried
127 S H -0.8698 Soluble
128 S H -0.8165 Soluble
129 A H -0.8336 Soluble
130 S H -0.7310 Soluble
131 T H -1.2028 Soluble
132 K H -2.0419 Soluble
133 G H -1.6155 Soluble
134 P H -1.2964 Soluble
135 S H -0.6974 Soluble
136 V H -0.6299 Soluble
137 F H -0.5338 Soluble
138 P H -0.2951 Soluble
139 L H 0.0000 Buried
140 A H -0.0609 Soluble
141 P H -0.3293 Soluble
142 S H -0.6239 Soluble
143 S H -1.1509 Soluble
144 K H -1.8390 Soluble
145 S H -1.1154 Soluble
146 T H 0.0000 Buried
147 S H -1.1183 Soluble
148 G H -1.1569 Soluble
149 G H -0.8801 Soluble
150 T H -0.5637 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 -0.4297 Soluble
159 D H -0.9721 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.8389 Soluble
163 E H -0.9308 Soluble
164 P H -0.9420 Soluble
165 V H 0.0000 Buried
166 T H -0.7657 Soluble
167 V H -0.4716 Soluble
168 S H -0.4475 Soluble
169 W H 0.0000 Buried
170 N H -0.5580 Soluble
171 S H -0.6662 Soluble
172 G H -0.5553 Soluble
173 A H -0.2541 Soluble
174 L H -0.0465 Soluble
175 T H -0.1958 Soluble
176 S H -0.1939 Soluble
177 G H -0.1485 Soluble
178 V H 0.1286 Aggregation-prone
179 H H -0.3232 Soluble
180 T H -0.0424 Soluble
181 F H 0.0000 Buried
182 P H -0.2086 Soluble
183 A H 0.3183 Aggregation-prone
184 V H 0.4901 Aggregation-prone
185 L H 1.2787 Aggregation-prone
186 Q H 0.1194 Aggregation-prone
187 S H -0.1113 Soluble
188 S H -0.3397 Soluble
189 G H -0.3874 Soluble
190 L H 0.0000 Buried
191 Y H 0.0000 Buried
192 S H 0.0000 Buried
193 L H 0.2648 Aggregation-prone
194 S H 0.0765 Aggregation-prone
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1151 Soluble
199 V H 0.0000 Buried
200 P H -0.7068 Soluble
201 S H -0.6792 Soluble
202 S H -0.6969 Soluble
203 S H -0.6580 Soluble
204 L H -0.5369 Soluble
205 G H -0.8087 Soluble
206 T H -0.7845 Soluble
207 Q H -1.0637 Soluble
208 T H -0.8024 Soluble
209 Y H 0.0000 Buried
210 I H -0.9292 Soluble
211 C H 0.0000 Buried
212 N H -1.3421 Soluble
213 V H 0.0000 Buried
214 N H -1.9989 Soluble
215 H H 0.0000 Buried
216 K H -2.8058 Soluble
217 P H -1.7594 Soluble
218 S H -1.8930 Soluble
219 N H -2.5286 Soluble
220 T H -1.9641 Soluble
221 K H -2.6577 Soluble
222 V H -1.6172 Soluble
223 D H -2.5774 Soluble
224 K H -1.9167 Soluble
225 K H -2.0768 Soluble
226 V H -0.8770 Soluble
1 E L -1.8595 Soluble
2 I L -0.3959 Soluble
3 V L 0.7818 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.4584 Soluble
6 Q L 0.0000 Buried
7 S L -0.8208 Soluble
8 P L -0.6026 Soluble
9 G L -0.9139 Soluble
10 T L -0.6834 Soluble
11 L L -0.2973 Soluble
12 S L -0.5427 Soluble
13 L L -1.1111 Soluble
14 S L -1.4196 Soluble
15 P L -1.7439 Soluble
16 G L -2.3263 Soluble
17 E L -3.1799 Soluble
18 R L -3.1777 Soluble
19 A L 0.0000 Buried
20 T L -0.4984 Soluble
21 L L 0.0000 Buried
22 S L -0.9670 Soluble
23 C L 0.0000 Buried
24 R L -2.3600 Soluble
25 A L 0.0000 Buried
26 S L -1.1066 Soluble
27 Q L -1.5112 Soluble
28 S L -1.3835 Soluble
29 V L -1.5716 Soluble
30 R L -2.0494 Soluble
36 S L -1.3474 Soluble
37 S L -0.9185 Soluble
38 Y L -0.4733 Soluble
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -1.1320 Soluble
44 Q L -1.6521 Soluble
45 K L -2.2672 Soluble
46 P L -1.7482 Soluble
47 G L -1.9105 Soluble
48 Q L -2.3783 Soluble
49 A L -1.6381 Soluble
50 P L 0.0000 Buried
51 R L -1.9026 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8452 Soluble
56 G L -1.0399 Soluble
57 A L 0.0000 Buried
65 S L -0.7320 Soluble
66 S L -0.8490 Soluble
67 R L -1.5872 Soluble
68 A L -1.0849 Soluble
69 T L -0.6128 Soluble
70 G L -0.9320 Soluble
71 I L 0.0000 Buried
72 P L -1.3549 Soluble
74 D L -2.2110 Soluble
75 R L -1.7452 Soluble
76 F L 0.0000 Buried
77 S L -0.9558 Soluble
78 G L -0.5825 Soluble
79 S L -0.7798 Soluble
80 G L -1.1321 Soluble
83 S L -1.6110 Soluble
84 G L -1.5147 Soluble
85 T L -2.1864 Soluble
86 D L -2.6646 Soluble
87 F L 0.0000 Buried
88 T L -0.8895 Soluble
89 L L 0.0000 Buried
90 T L -0.7246 Soluble
91 I L 0.0000 Buried
92 S L -2.2749 Soluble
93 R L -2.9735 Soluble
94 L L 0.0000 Buried
95 E L -2.1896 Soluble
96 P L -1.7088 Soluble
97 E L -2.3903 Soluble
98 D L -1.6336 Soluble
99 F L -0.9577 Soluble
100 A L 0.0000 Buried
101 V L -0.6988 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 Y L -0.6674 Soluble
108 G L -1.5139 Soluble
109 R L -2.2387 Soluble
114 S L -1.3432 Soluble
115 P L -1.1463 Soluble
116 W L -0.2322 Soluble
117 T L 0.0188 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.3955 Soluble
121 G L -1.3702 Soluble
122 T L 0.0000 Buried
123 K L -1.1970 Soluble
124 V L 0.0000 Buried
125 E L -0.9915 Soluble
126 I L -0.7125 Soluble
127 K L -1.6748 Soluble
128 R L -2.1524 Soluble
129 T L -0.8108 Soluble
130 V L 1.0014 Aggregation-prone
131 A L 0.3221 Aggregation-prone
132 A L 0.2863 Aggregation-prone
133 P L 0.1764 Aggregation-prone
134 S L 0.0332 Aggregation-prone
135 V L 0.0000 Buried
136 F L 0.1901 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.2368 Soluble
140 P L -0.4463 Soluble
141 S L -1.2569 Soluble
142 D L -2.4952 Soluble
143 E L -2.2545 Soluble
144 Q L 0.0000 Buried
145 L L -1.7884 Soluble
146 K L -2.5707 Soluble
147 S L -1.6197 Soluble
148 G L -1.4741 Soluble
149 T L -0.9941 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 -0.2412 Soluble
158 N L -0.5855 Soluble
159 F L 0.0000 Buried
160 Y L -0.9710 Soluble
161 P L -1.4566 Soluble
162 R L -2.7707 Soluble
163 E L -2.5517 Soluble
164 A L -1.9395 Soluble
165 K L -2.3562 Soluble
166 V L -1.2686 Soluble
167 Q L -0.9205 Soluble
168 W L 0.0000 Buried
169 K L -0.8585 Soluble
170 V L -1.2331 Soluble
171 D L -2.3975 Soluble
172 N L -1.7866 Soluble
173 A L -0.5415 Soluble
174 L L 0.5594 Aggregation-prone
175 Q L -0.4790 Soluble
176 S L -0.4988 Soluble
177 G L -1.0166 Soluble
178 N L -1.6115 Soluble
179 S L -1.5089 Soluble
180 Q L -1.5054 Soluble
181 E L -1.9246 Soluble
182 S L 0.0000 Buried
183 V L -0.7789 Soluble
184 T L -1.4016 Soluble
185 E L -2.6617 Soluble
186 Q L -2.7692 Soluble
187 D L -3.2756 Soluble
188 S L -2.4175 Soluble
189 K L -2.9857 Soluble
190 D L -2.4252 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 -0.6416 Soluble
199 L L 0.0000 Buried
200 T L -0.5042 Soluble
201 L L -0.9115 Soluble
202 S L -1.8324 Soluble
203 K L -2.9196 Soluble
204 A L -2.5600 Soluble
205 D L -3.2538 Soluble
206 Y L 0.0000 Buried
207 E L -3.7843 Soluble
208 K L -3.8393 Soluble
209 H L -3.0480 Soluble
210 K L -2.8876 Soluble
211 V L -1.4299 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L 0.0000 Buried
216 V L 0.0000 Buried
217 T L -1.0402 Soluble
218 H L 0.0000 Buried
219 Q L -1.7752 Soluble
220 G L -0.7713 Soluble
221 L L -0.3605 Soluble
222 S L -0.5324 Soluble
223 S L -0.2151 Soluble
224 P L 0.1864 Aggregation-prone
225 V L 0.8122 Aggregation-prone
226 T L 0.0222 Aggregation-prone
227 K L -0.2025 Soluble
228 S L -0.0572 Soluble
229 F L -0.6649 Soluble
230 N L -1.6264 Soluble
231 R L -2.2163 Soluble
232 G L -1.7433 Soluble
233 E L -2.0063 Soluble
234 C L -0.8108 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 -0.913 1.7968 CSV PDB
4.5 -0.96 1.7087 CSV PDB
5.0 -1.0149 1.5755 CSV PDB
5.5 -1.0658 1.4838 CSV PDB
6.0 -1.1011 1.4638 CSV PDB
6.5 -1.1128 1.4452 CSV PDB
7.0 -1.1021 1.4278 CSV PDB
7.5 -1.0772 1.4112 CSV PDB
8.0 -1.0446 1.3954 CSV PDB
8.5 -1.0064 1.434 CSV PDB
9.0 -0.9624 1.5286 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH