Tixagevimab / 7e3k

A4DAB270_7e3k_F_G | Source PDB: 7e3k | Chains: F, G | Done
95.26
Yes
10 Å
Yes
Avg A4D Score
-0.8068
Max Score
1.1864
Min Score
-3.8523
Total Score
-351.76
Score CDR
-0.6704
Score non-CDR
-0.8248

Calculation Parameters

Chain Sequence(s) QMQLVQSGPEVKKPGTSVKVSCKASGFTFSGSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQRFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSSTSCRDGFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEIVLTQSPGTLSLSPGERATLSCRASQSVRSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGRSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) F (Heavy), G (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 -3.8523
Maximum Score 1.1864
Average Score -0.8068
Total Score -351.7568

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

Index Residue Chain A4D Score Classification
1 Q F -1.3666 Soluble
2 M F -0.6305 Soluble
3 Q F -0.8015 Soluble
4 L F 0.0000 Buried
5 V F 0.8713 Aggregation-prone
6 Q F 0.0000 Buried
7 S F -0.6161 Soluble
8 G F -0.9024 Soluble
9 P F -0.8883 Soluble
11 E F -1.1259 Soluble
12 V F -0.0988 Soluble
13 K F -1.1657 Soluble
14 K F -2.0274 Soluble
15 P F -1.9024 Soluble
16 G F -1.3598 Soluble
17 T F -1.1371 Soluble
18 S F -1.2289 Soluble
19 V F -1.3106 Soluble
20 K F -1.9479 Soluble
21 V F 0.0000 Buried
22 S F -0.5085 Soluble
23 C F 0.0000 Buried
24 K F -0.4449 Soluble
25 A F 0.0000 Buried
26 S F -0.5301 Soluble
27 G F -0.8117 Soluble
28 F F -0.2820 Soluble
29 T F -0.1279 Soluble
30 F F 0.0000 Buried
35 S F -0.4899 Soluble
36 G F -0.6034 Soluble
37 S F 0.0000 Buried
38 A F -0.0798 Soluble
39 V F 0.0000 Buried
40 Q F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F 0.0000 Buried
45 A F -1.8364 Soluble
46 R F -2.5746 Soluble
47 G F -2.4114 Soluble
48 Q F -2.9558 Soluble
49 R F -3.0072 Soluble
50 L F 0.0000 Buried
51 E F -0.9267 Soluble
52 W F 0.0000 Buried
53 I F 0.0000 Buried
54 G F 0.0000 Buried
55 W F -0.2153 Soluble
56 I F 0.0000 Buried
57 V F -0.4322 Soluble
58 V F 0.0000 Buried
59 G F -0.8744 Soluble
62 S F -0.8285 Soluble
63 G F -0.9286 Soluble
64 N F -1.5644 Soluble
65 T F -1.0904 Soluble
66 N F -1.5833 Soluble
67 Y F -1.5537 Soluble
68 A F 0.0000 Buried
69 Q F -3.1334 Soluble
70 R F -3.0885 Soluble
71 F F 0.0000 Buried
72 Q F -3.2855 Soluble
74 E F -2.9958 Soluble
75 R F -1.8676 Soluble
76 V F 0.0000 Buried
77 T F -1.0895 Soluble
78 I F 0.0000 Buried
79 T F -0.7658 Soluble
80 R F -0.7918 Soluble
81 D F -0.8014 Soluble
82 M F -0.2422 Soluble
83 S F -0.3091 Soluble
84 T F -0.4288 Soluble
85 S F -0.5219 Soluble
86 T F 0.0000 Buried
87 A F 0.0000 Buried
88 Y F -0.6628 Soluble
89 M F 0.0000 Buried
90 E F -1.5325 Soluble
91 L F 0.0000 Buried
92 S F -1.1671 Soluble
93 S F -0.7223 Soluble
94 L F 0.0000 Buried
95 R F -2.1036 Soluble
96 S F -1.9158 Soluble
97 E F -2.1562 Soluble
98 D F 0.0000 Buried
99 T F -0.7617 Soluble
100 A F 0.0000 Buried
101 V F -0.0862 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 A F 0.0000 Buried
107 P F -0.4374 Soluble
108 Y F -0.1273 Soluble
109 C F 0.0000 Buried
110 S F -0.2899 Soluble
111 S F -0.3781 Soluble
111A T F -0.2627 Soluble
112B S F -0.5350 Soluble
112A C F -0.6765 Soluble
112 R F -1.8337 Soluble
113 D F -2.2405 Soluble
114 G F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.8826 Soluble
117 I F 0.0000 Buried
118 W F -0.4364 Soluble
119 G F 0.0000 Buried
120 Q F -1.2742 Soluble
121 G F -0.5890 Soluble
122 T F 0.0000 Buried
123 M F -0.2871 Soluble
124 V F 0.0000 Buried
125 T F -0.4950 Soluble
126 V F 0.0000 Buried
127 S F -0.8865 Soluble
128 S F -0.7947 Soluble
129 A F -0.8332 Soluble
130 S F -0.7953 Soluble
131 T F -1.1819 Soluble
132 K F -2.0033 Soluble
133 G F -1.5826 Soluble
134 P F -1.2591 Soluble
135 S F -0.6759 Soluble
136 V F -0.6213 Soluble
137 F F -0.5437 Soluble
138 P F -0.2936 Soluble
139 L F 0.0000 Buried
140 A F -0.0597 Soluble
141 P F -0.3360 Soluble
142 S F -0.6400 Soluble
143 S F -1.1630 Soluble
144 K F -1.8594 Soluble
145 S F -1.1607 Soluble
146 T F 0.0000 Buried
147 S F -1.1303 Soluble
148 G F -1.1669 Soluble
149 G F -0.8843 Soluble
150 T F -0.5629 Soluble
151 A F 0.0000 Buried
152 A F 0.0000 Buried
153 L F 0.0000 Buried
154 G F 0.0000 Buried
155 C F 0.0000 Buried
156 L F 0.0000 Buried
157 V F 0.0000 Buried
158 K F -0.4227 Soluble
159 D F -0.8602 Soluble
160 Y F 0.0000 Buried
161 F F 0.0000 Buried
162 P F -0.8862 Soluble
163 E F -0.9178 Soluble
164 P F -0.9333 Soluble
165 V F 0.0000 Buried
166 T F -0.7610 Soluble
167 V F -0.4702 Soluble
168 S F -0.4465 Soluble
169 W F 0.0000 Buried
170 N F -0.5565 Soluble
171 S F -0.6679 Soluble
172 G F -0.5607 Soluble
173 A F -0.2562 Soluble
174 L F -0.0459 Soluble
175 T F -0.1951 Soluble
176 S F -0.1920 Soluble
177 G F -0.1452 Soluble
178 V F 0.1354 Aggregation-prone
179 H F -0.3119 Soluble
180 T F -0.0360 Soluble
181 F F 0.0000 Buried
182 P F -0.1746 Soluble
183 A F 0.3098 Aggregation-prone
184 V F 0.4828 Aggregation-prone
185 L F 1.1864 Aggregation-prone
186 Q F -0.1186 Soluble
187 S F -0.2338 Soluble
188 S F -0.3988 Soluble
189 G F -0.4409 Soluble
190 L F 0.0000 Buried
191 Y F 0.0000 Buried
192 S F 0.0672 Aggregation-prone
193 L F 0.2854 Aggregation-prone
194 S F 0.0723 Aggregation-prone
195 S F 0.0000 Buried
196 V F 0.0000 Buried
197 V F 0.0000 Buried
198 T F -0.1125 Soluble
199 V F 0.0000 Buried
200 P F -0.7047 Soluble
201 S F -0.6767 Soluble
202 S F -0.6945 Soluble
203 S F -0.6536 Soluble
204 L F -0.5294 Soluble
205 G F -0.8041 Soluble
206 T F -0.7805 Soluble
207 Q F -1.0561 Soluble
208 T F -0.7952 Soluble
209 Y F 0.0000 Buried
210 I F -0.9170 Soluble
211 C F 0.0000 Buried
212 N F -1.3448 Soluble
213 V F 0.0000 Buried
214 N F -1.9902 Soluble
215 H F 0.0000 Buried
216 K F -2.8003 Soluble
217 P F -1.7551 Soluble
218 S F -1.8911 Soluble
219 N F -2.5263 Soluble
220 T F -1.9607 Soluble
221 K F -2.6553 Soluble
222 V F -1.6162 Soluble
223 D F -2.5764 Soluble
224 K F -1.9164 Soluble
225 K F -2.0723 Soluble
226 V F -0.8698 Soluble
1 E G -1.9743 Soluble
2 I G 0.0000 Buried
3 V G 0.6766 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.4701 Soluble
6 Q G 0.0000 Buried
7 S G -0.8238 Soluble
8 P G -0.5732 Soluble
9 G G -0.8391 Soluble
10 T G -0.5500 Soluble
11 L G -0.2073 Soluble
12 S G -0.4767 Soluble
13 L G -1.1084 Soluble
14 S G -1.4376 Soluble
15 P G -1.7951 Soluble
16 G G -2.3933 Soluble
17 E G -3.2098 Soluble
18 R G -3.1694 Soluble
19 A G 0.0000 Buried
20 T G -0.5035 Soluble
21 L G 0.0000 Buried
22 S G -0.9766 Soluble
23 C G 0.0000 Buried
24 R G -2.3816 Soluble
25 A G 0.0000 Buried
26 S G -1.1563 Soluble
27 Q G -1.5587 Soluble
28 S G -1.4060 Soluble
29 V G -1.6454 Soluble
30 R G -2.1192 Soluble
36 S G -1.4160 Soluble
37 S G -1.0217 Soluble
38 Y G -0.6956 Soluble
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G -1.1048 Soluble
44 Q G -1.6630 Soluble
45 K G -2.3827 Soluble
46 P G -1.8030 Soluble
47 G G -1.9450 Soluble
48 Q G -2.4156 Soluble
49 A G -1.6583 Soluble
50 P G 0.0000 Buried
51 R G -1.9023 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.8356 Soluble
56 G G -1.0621 Soluble
57 A G 0.0000 Buried
65 S G -0.7274 Soluble
66 S G -0.8366 Soluble
67 R G -1.5542 Soluble
68 A G -1.0277 Soluble
69 T G -0.6036 Soluble
70 G G -0.9264 Soluble
71 I G 0.0000 Buried
72 P G -1.3357 Soluble
74 D G -2.1818 Soluble
75 R G -1.7008 Soluble
76 F G 0.0000 Buried
77 S G -0.9365 Soluble
78 G G -0.5806 Soluble
79 S G -0.7831 Soluble
80 G G -1.1523 Soluble
83 S G -1.6063 Soluble
84 G G -1.5111 Soluble
85 T G -2.1838 Soluble
86 D G -2.6636 Soluble
87 F G 0.0000 Buried
88 T G -0.8933 Soluble
89 L G 0.0000 Buried
90 T G -0.7115 Soluble
91 I G 0.0000 Buried
92 S G -2.2441 Soluble
93 R G -2.9766 Soluble
94 L G 0.0000 Buried
95 E G -2.2931 Soluble
96 P G -1.7661 Soluble
97 E G -2.4414 Soluble
98 D G -1.6754 Soluble
99 F G -0.9114 Soluble
100 A G 0.0000 Buried
101 V G -0.5192 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 Y G 0.0000 Buried
108 G G -1.6591 Soluble
109 R G -2.2875 Soluble
114 S G -1.4414 Soluble
115 P G -1.2710 Soluble
116 W G 0.0000 Buried
117 T G -0.1036 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.3111 Soluble
121 G G -1.2603 Soluble
122 T G 0.0000 Buried
123 K G -0.8177 Soluble
124 V G 0.0000 Buried
125 E G -0.8220 Soluble
126 I G -0.6735 Soluble
127 K G -1.6444 Soluble
128 R G -2.1445 Soluble
129 T G -0.8059 Soluble
130 V G 1.0011 Aggregation-prone
131 A G 0.3194 Aggregation-prone
132 A G 0.2847 Aggregation-prone
133 P G 0.1676 Aggregation-prone
134 S G 0.0193 Aggregation-prone
135 V G 0.0000 Buried
136 F G 0.1654 Aggregation-prone
137 I G 0.0000 Buried
138 F G 0.0000 Buried
139 P G -0.2497 Soluble
140 P G -0.4251 Soluble
141 S G -1.2320 Soluble
142 D G -2.4602 Soluble
143 E G -2.2166 Soluble
144 Q G 0.0000 Buried
145 L G -1.6883 Soluble
146 K G -2.5190 Soluble
147 S G -1.5824 Soluble
148 G G -1.4462 Soluble
149 T G -0.9899 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G -0.2358 Soluble
158 N G -0.5864 Soluble
159 F G 0.0000 Buried
160 Y G -0.8203 Soluble
161 P G -1.1814 Soluble
162 R G -2.2996 Soluble
163 E G -1.8767 Soluble
164 A G -1.5637 Soluble
165 K G -2.1818 Soluble
166 V G -1.2256 Soluble
167 Q G -1.0631 Soluble
168 W G 0.0000 Buried
169 K G -0.9537 Soluble
170 V G 0.0000 Buried
171 D G -2.4671 Soluble
172 N G -1.8381 Soluble
173 A G -0.5827 Soluble
174 L G 0.5067 Aggregation-prone
175 Q G -0.5028 Soluble
176 S G -0.4859 Soluble
177 G G -0.9902 Soluble
178 N G -1.6384 Soluble
179 S G -1.6000 Soluble
180 Q G -1.6362 Soluble
181 E G -1.9302 Soluble
182 S G 0.0000 Buried
183 V G -0.6562 Soluble
184 T G -1.3288 Soluble
185 E G -2.6089 Soluble
186 Q G -2.7193 Soluble
187 D G -3.2696 Soluble
188 S G -2.4140 Soluble
189 K G -2.9845 Soluble
190 D G -2.4229 Soluble
191 S G 0.0000 Buried
192 T G 0.0000 Buried
193 Y G 0.0000 Buried
194 S G 0.0000 Buried
195 L G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -0.6785 Soluble
199 L G 0.0000 Buried
200 T G -0.5666 Soluble
201 L G -1.0138 Soluble
202 S G -1.8903 Soluble
203 K G -2.9389 Soluble
204 A G -2.5928 Soluble
205 D G -3.3179 Soluble
206 Y G 0.0000 Buried
207 E G -3.8024 Soluble
208 K G -3.8523 Soluble
209 H G -3.0711 Soluble
210 K G -2.9363 Soluble
211 V G -1.5090 Soluble
212 Y G 0.0000 Buried
213 A G 0.0000 Buried
214 C G 0.0000 Buried
215 E G 0.0000 Buried
216 V G 0.0000 Buried
217 T G -0.9631 Soluble
218 H G 0.0000 Buried
219 Q G -1.6626 Soluble
220 G G -0.7670 Soluble
221 L G -0.3515 Soluble
222 S G -0.5291 Soluble
223 S G -0.2180 Soluble
224 P G 0.1898 Aggregation-prone
225 V G 0.8102 Aggregation-prone
226 T G 0.0366 Aggregation-prone
227 K G -0.1355 Soluble
228 S G -0.0957 Soluble
229 F G -0.7041 Soluble
230 N G -1.7074 Soluble
231 R G -2.3095 Soluble
232 G G -1.7927 Soluble
233 E G -2.0435 Soluble
234 C G -0.8438 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 -0.8904 1.6848 CSV PDB
4.5 -0.9343 1.5956 CSV PDB
5.0 -0.9867 1.4557 CSV PDB
5.5 -1.0366 1.3615 CSV PDB
6.0 -1.0722 1.3485 CSV PDB
6.5 -1.0854 1.3374 CSV PDB
7.0 -1.0762 1.3279 CSV PDB
7.5 -1.0519 1.3195 CSV PDB
8.0 -1.0191 1.3389 CSV PDB
8.5 -0.9805 1.4359 CSV PDB
9.0 -0.9359 1.5305 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH