Teropavimab / 7mxd

A4DAB261_7mxd_J_K | Source PDB: 7mxd | Chains: J, K | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7857
Max Score
0.9931
Min Score
-3.7874
Total Score
-330.01
Score CDR
-0.7969
Score non-CDR
-0.7846

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) J (Heavy), K (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 -3.7874
Maximum Score 0.9931
Average Score -0.7857
Total Score -330.0096

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

Index Residue Chain A4D Score Classification
1 Q J -1.5015 Soluble
2 V J -1.1238 Soluble
3 Q J -1.4069 Soluble
4 L J 0.0000 Buried
5 L J 0.0184 Aggregation-prone
6 Q J -0.3082 Soluble
7 S J -0.5859 Soluble
8 G J -0.6010 Soluble
9 A J -0.1620 Soluble
11 A J 0.2017 Aggregation-prone
12 V J 0.7032 Aggregation-prone
13 T J -0.4305 Soluble
14 K J -1.9894 Soluble
15 P J -1.9928 Soluble
16 G J -1.7229 Soluble
17 A J -1.2833 Soluble
18 S J -1.2820 Soluble
19 V J 0.0000 Buried
20 R J -1.5220 Soluble
21 V J 0.0000 Buried
22 S J -0.5982 Soluble
23 C J 0.0000 Buried
24 E J -0.9177 Soluble
25 A J 0.0000 Buried
26 S J -1.1297 Soluble
27 G J -1.4452 Soluble
28 Y J -1.5079 Soluble
29 N J -2.0855 Soluble
30 I J 0.0000 Buried
35 R J -2.6057 Soluble
36 D J -2.7052 Soluble
37 Y J -1.1685 Soluble
38 F J -0.1557 Soluble
39 I J 0.0000 Buried
40 H J 0.0000 Buried
41 W J 0.0000 Buried
42 W J 0.0000 Buried
43 R J -0.6144 Soluble
44 Q J -0.8776 Soluble
45 A J -1.0998 Soluble
46 P J -0.9903 Soluble
47 G J -1.4698 Soluble
48 Q J -1.7252 Soluble
49 G J -1.0380 Soluble
50 L J 0.0000 Buried
51 Q J -0.6382 Soluble
52 W J 0.0000 Buried
53 V J 0.0000 Buried
54 G J 0.0000 Buried
55 W J -0.2354 Soluble
56 I J 0.0000 Buried
57 N J -1.3251 Soluble
58 P J 0.0000 Buried
59 K J -2.3979 Soluble
62 T J -1.4780 Soluble
63 G J -1.3661 Soluble
64 Q J -1.5287 Soluble
65 P J -1.1190 Soluble
66 N J -1.5123 Soluble
67 N J -1.7697 Soluble
68 P J -1.9722 Soluble
69 R J -3.0820 Soluble
70 Q J -2.6355 Soluble
71 F J 0.0000 Buried
72 Q J -2.7375 Soluble
74 G J -1.8536 Soluble
75 R J -1.5926 Soluble
76 V J 0.0000 Buried
77 S J -1.0185 Soluble
78 L J 0.0000 Buried
79 T J -0.7220 Soluble
80 R J -1.3681 Soluble
81 H J -1.0714 Soluble
82 A J -0.9230 Soluble
83 S J -0.3197 Soluble
84 W J 0.1987 Aggregation-prone
85 D J -1.2360 Soluble
85A F J -0.9818 Soluble
85B D J -1.9381 Soluble
85C T J -1.2794 Soluble
85D Y J 0.0000 Buried
86 S J -0.7522 Soluble
87 F J 0.0000 Buried
88 Y J -0.6798 Soluble
89 M J 0.0000 Buried
90 D J -1.2519 Soluble
91 L J 0.0000 Buried
92 K J -1.9995 Soluble
93 A J -1.3791 Soluble
94 L J 0.0000 Buried
95 R J -3.0000 Soluble
96 S J -2.3268 Soluble
97 D J -2.4831 Soluble
98 D J 0.0000 Buried
99 T J -0.8254 Soluble
100 A J 0.0000 Buried
101 V J -0.3576 Soluble
102 Y J 0.0000 Buried
103 F J 0.0000 Buried
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 R J 0.0000 Buried
107 Q J -0.6481 Soluble
108 R J -1.1686 Soluble
109 S J -1.0763 Soluble
110 D J -1.7024 Soluble
112 Y J -0.4956 Soluble
113 W J -0.4796 Soluble
114 D J 0.0000 Buried
115 F J 0.0000 Buried
116 D J -0.9554 Soluble
117 V J -0.6973 Soluble
118 W J -0.4579 Soluble
119 G J 0.0000 Buried
120 S J -0.7373 Soluble
121 G J -0.6749 Soluble
122 T J 0.0000 Buried
123 Q J -0.5830 Soluble
124 V J 0.0000 Buried
125 T J 0.0000 Buried
126 V J 0.0000 Buried
127 S J -1.0873 Soluble
128 S J -0.6790 Soluble
129 A J -0.7872 Soluble
130 S J -0.8301 Soluble
131 T J -1.1069 Soluble
132 K J -1.9355 Soluble
133 G J -1.6941 Soluble
134 P J -0.9053 Soluble
135 S J -0.4211 Soluble
136 V J 0.0000 Buried
137 F J -0.6457 Soluble
138 P J -1.0313 Soluble
139 L J 0.0000 Buried
140 A J -0.8851 Soluble
141 P J -0.3916 Soluble
142 S J -0.6166 Soluble
143 T J -0.2305 Soluble
144 A J -0.0506 Soluble
145 A J -0.0271 Soluble
146 L J 0.0000 Buried
147 G J 0.0000 Buried
148 C J 0.0000 Buried
149 L J 0.0000 Buried
150 V J 0.0000 Buried
151 K J -0.5442 Soluble
152 D J -0.8725 Soluble
153 Y J 0.0000 Buried
154 F J 0.0000 Buried
155 P J -1.0345 Soluble
156 E J -1.4777 Soluble
157 P J -1.2464 Soluble
158 V J -0.9707 Soluble
159 T J -0.5548 Soluble
160 V J -0.1930 Soluble
161 S J -0.2772 Soluble
162 W J 0.0000 Buried
163 N J -0.5406 Soluble
164 S J -0.5982 Soluble
165 G J -0.3827 Soluble
166 A J -0.1892 Soluble
167 L J 0.0306 Aggregation-prone
168 T J -0.1084 Soluble
169 S J -0.1989 Soluble
170 G J -0.2867 Soluble
171 V J 0.3552 Aggregation-prone
172 H J -0.3375 Soluble
173 T J -0.1185 Soluble
174 F J 0.0000 Buried
175 P J -0.2271 Soluble
176 A J 0.1959 Aggregation-prone
177 V J 0.4579 Aggregation-prone
178 L J 0.7746 Aggregation-prone
179 Q J -0.4133 Soluble
180 S J -0.3395 Soluble
181 S J -0.4281 Soluble
182 G J -0.2592 Soluble
183 L J -0.2521 Soluble
184 Y J 0.0598 Aggregation-prone
185 S J 0.0436 Aggregation-prone
186 L J 0.2126 Aggregation-prone
187 S J -0.0010 Soluble
188 S J 0.0000 Buried
189 V J 0.0000 Buried
190 V J 0.0000 Buried
191 T J -0.1391 Soluble
192 V J 0.0000 Buried
193 P J -0.3090 Soluble
194 S J -0.3150 Soluble
195 S J -0.4374 Soluble
196 S J -0.4305 Soluble
197 L J -0.2839 Soluble
198 G J -0.7324 Soluble
199 T J -0.6672 Soluble
200 Q J -1.0387 Soluble
201 T J -0.7988 Soluble
202 Y J 0.0000 Buried
203 I J -0.7851 Soluble
204 C J 0.0000 Buried
205 N J -1.3204 Soluble
206 V J 0.0000 Buried
207 N J -2.0173 Soluble
208 H J 0.0000 Buried
209 K J -2.8752 Soluble
210 P J -1.8581 Soluble
211 S J -2.0161 Soluble
212 N J -2.5007 Soluble
213 T J -2.0815 Soluble
214 K J -2.4939 Soluble
215 V J -1.0608 Soluble
216 D J -2.0411 Soluble
217 K J -1.2412 Soluble
218 K J -1.3516 Soluble
219 V J 0.0000 Buried
220 E J -2.0583 Soluble
221 P J -1.3943 Soluble
1 D K -1.9919 Soluble
2 I K -1.0541 Soluble
3 Q K -1.4626 Soluble
4 M K -0.7390 Soluble
5 T K -0.6789 Soluble
6 Q K -0.5596 Soluble
7 S K -0.4311 Soluble
8 P K -0.5056 Soluble
9 S K -0.6039 Soluble
10 S K -0.4918 Soluble
11 L K -0.1772 Soluble
12 S K -0.3632 Soluble
13 A K -0.4345 Soluble
14 S K -0.7025 Soluble
15 V K -0.0518 Soluble
16 G K -1.2435 Soluble
17 D K -1.7232 Soluble
18 T K -1.1075 Soluble
19 V K -0.3068 Soluble
20 T K -0.2546 Soluble
21 I K 0.0000 Buried
22 T K -0.7501 Soluble
23 C K 0.0000 Buried
24 Q K -1.7686 Soluble
25 A K 0.0000 Buried
27 N K -1.6855 Soluble
28 G K -0.5891 Soluble
38 Y K 0.3644 Aggregation-prone
39 L K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K 0.0000 Buried
45 R K -2.3724 Soluble
46 R K -3.2272 Soluble
47 G K -2.4994 Soluble
48 K K -2.8860 Soluble
49 A K -1.5646 Soluble
50 P K 0.0000 Buried
51 K K -1.3817 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.3449 Soluble
56 D K -0.8103 Soluble
57 G K 0.0000 Buried
65 S K -1.7709 Soluble
66 K K -1.4850 Soluble
67 L K -0.7809 Soluble
68 E K -1.4209 Soluble
69 R K -2.0882 Soluble
70 G K -1.3336 Soluble
71 V K -0.8238 Soluble
72 P K -0.6061 Soluble
74 S K -0.7002 Soluble
75 R K -1.0179 Soluble
76 F K 0.0000 Buried
77 S K -1.0096 Soluble
78 G K -1.7139 Soluble
79 R K -2.8772 Soluble
80 R K -2.7088 Soluble
83 W K -0.8027 Soluble
84 G K -1.0294 Soluble
85 Q K -2.0434 Soluble
86 E K -2.0606 Soluble
87 Y K 0.0000 Buried
88 N K -1.3831 Soluble
89 L K 0.0000 Buried
90 T K -0.5897 Soluble
91 I K 0.0000 Buried
92 N K -1.6906 Soluble
93 N K -2.0924 Soluble
94 L K 0.0000 Buried
95 Q K -1.4168 Soluble
96 P K -1.0113 Soluble
97 E K -1.9571 Soluble
98 D K 0.0000 Buried
99 I K -0.4860 Soluble
100 A K -0.9452 Soluble
101 T K 0.0000 Buried
102 Y K 0.0000 Buried
103 F K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 V K 0.0000 Buried
107 Y K 0.4353 Aggregation-prone
116 E K 0.0951 Aggregation-prone
117 F K 0.9931 Aggregation-prone
118 V K 0.6376 Aggregation-prone
119 V K 0.1763 Aggregation-prone
120 P K -0.6280 Soluble
121 G K 0.0000 Buried
122 T K 0.0000 Buried
123 R K -1.0817 Soluble
124 L K 0.0000 Buried
125 D K 0.0000 Buried
126 L K -0.2924 Soluble
127 K K -1.2119 Soluble
128 R K -1.5982 Soluble
129 T K -0.5163 Soluble
130 V K 0.7208 Aggregation-prone
131 A K 0.2739 Aggregation-prone
132 A K -0.0986 Soluble
133 P K 0.0000 Buried
134 S K -0.3006 Soluble
135 V K 0.0000 Buried
136 F K 0.0330 Aggregation-prone
137 I K 0.0000 Buried
138 F K 0.0000 Buried
139 P K -0.5839 Soluble
140 P K -0.7498 Soluble
141 S K -1.9053 Soluble
142 D K -2.9894 Soluble
143 E K -3.1136 Soluble
144 Q K 0.0000 Buried
145 L K -2.1712 Soluble
146 K K -2.7845 Soluble
147 S K -1.7834 Soluble
148 G K -1.2220 Soluble
149 T K -0.9617 Soluble
150 A K 0.0000 Buried
151 S K 0.0000 Buried
152 V K 0.0000 Buried
153 V K 0.0000 Buried
154 C K 0.0000 Buried
155 L K 0.0000 Buried
156 L K 0.0000 Buried
157 N K -0.5409 Soluble
158 N K -0.7620 Soluble
159 F K 0.0000 Buried
160 Y K 0.0000 Buried
161 P K -1.2682 Soluble
162 R K -1.8116 Soluble
163 E K -2.6871 Soluble
164 A K -2.0260 Soluble
165 K K -2.3209 Soluble
166 V K -1.3604 Soluble
167 Q K -1.2359 Soluble
168 W K 0.0000 Buried
169 K K -1.4222 Soluble
170 V K -1.1501 Soluble
171 D K -2.4488 Soluble
172 N K -2.0180 Soluble
173 A K -0.6814 Soluble
174 L K 0.3580 Aggregation-prone
175 Q K -0.6110 Soluble
176 S K -0.9289 Soluble
177 G K -1.3677 Soluble
178 N K -1.7431 Soluble
179 S K -1.6174 Soluble
180 Q K -1.6805 Soluble
181 E K -1.4337 Soluble
182 S K -0.2890 Soluble
183 V K 0.1701 Aggregation-prone
184 T K -0.6552 Soluble
185 E K -2.0209 Soluble
186 Q K -1.6791 Soluble
187 D K -2.0758 Soluble
188 S K -1.8290 Soluble
189 K K -2.3487 Soluble
190 D K -1.8823 Soluble
191 S K 0.0000 Buried
192 T K 0.0000 Buried
193 Y K -1.0266 Soluble
194 S K 0.0000 Buried
195 L K -0.1577 Soluble
196 S K 0.0000 Buried
197 S K 0.0000 Buried
198 T K -0.7523 Soluble
199 L K 0.0000 Buried
200 T K -0.5546 Soluble
201 L K -0.7670 Soluble
202 S K -1.2645 Soluble
203 K K -2.0848 Soluble
204 A K -1.9388 Soluble
205 D K -2.7360 Soluble
206 Y K 0.0000 Buried
207 E K -3.7874 Soluble
208 K K -3.7541 Soluble
209 H K -2.6171 Soluble
210 K K -2.5633 Soluble
211 V K -0.0134 Soluble
212 Y K 0.0000 Buried
213 A K -0.5540 Soluble
214 C K 0.0000 Buried
215 E K -0.9568 Soluble
216 V K 0.0000 Buried
217 T K -1.1815 Soluble
218 H K 0.0000 Buried
219 Q K -1.5249 Soluble
220 G K -0.4800 Soluble
221 L K -0.4072 Soluble
222 S K -0.4745 Soluble
223 S K -0.3516 Soluble
224 P K -0.4754 Soluble
225 V K 0.2648 Aggregation-prone
226 T K -0.3023 Soluble
227 K K -0.6405 Soluble
228 S K -0.6143 Soluble
229 F K -0.9664 Soluble
230 N K -1.9853 Soluble
231 R K -2.5920 Soluble
232 G K -1.4584 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
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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 -0.6918 3.3648 CSV PDB
4.5 -0.7397 3.0981 CSV PDB
5.0 -0.7959 2.8751 CSV PDB
5.5 -0.8494 2.7861 CSV PDB
6.0 -0.8886 2.6972 CSV PDB
6.5 -0.9057 2.6226 CSV PDB
7.0 -0.902 2.5741 CSV PDB
7.5 -0.885 2.551 CSV PDB
8.0 -0.8602 2.5422 CSV PDB
8.5 -0.8285 2.5391 CSV PDB
9.0 -0.7893 2.5379 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH