Teropavimab / 7mxd

A4DAB261_7mxd_S_U | Source PDB: 7mxd | Chains: S, U | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.792
Max Score
1.0486
Min Score
-3.5793
Total Score
-332.64
Score CDR
-0.7635
Score non-CDR
-0.7949

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) S (Heavy), U (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 -3.5793
Maximum Score 1.0486
Average Score -0.792
Total Score -332.6395

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

Index Residue Chain A4D Score Classification
1 Q S -1.5025 Soluble
2 V S -1.0490 Soluble
3 Q S -1.3578 Soluble
4 L S 0.0000 Buried
5 L S 0.0763 Aggregation-prone
6 Q S -0.2665 Soluble
7 S S -0.6672 Soluble
8 G S -0.6709 Soluble
9 A S -0.3738 Soluble
11 A S -0.1169 Soluble
12 V S 0.4136 Aggregation-prone
13 T S -0.5554 Soluble
14 K S -2.0553 Soluble
15 P S -1.9115 Soluble
16 G S -1.6510 Soluble
17 A S -1.3946 Soluble
18 S S -1.9446 Soluble
19 V S 0.0000 Buried
20 R S -2.4754 Soluble
21 V S 0.0000 Buried
22 S S -0.8300 Soluble
23 C S 0.0000 Buried
24 E S -0.9772 Soluble
25 A S 0.0000 Buried
26 S S -1.1897 Soluble
27 G S -1.3749 Soluble
28 Y S -1.4375 Soluble
29 N S -2.0472 Soluble
30 I S 0.0000 Buried
35 R S -2.3309 Soluble
36 D S -2.4791 Soluble
37 Y S -0.9029 Soluble
38 F S 0.1103 Aggregation-prone
39 I S 0.0000 Buried
40 H S 0.0000 Buried
41 W S 0.0000 Buried
42 W S 0.0000 Buried
43 R S 0.0000 Buried
44 Q S -0.8078 Soluble
45 A S -1.0104 Soluble
46 P S -1.0728 Soluble
47 G S -1.5448 Soluble
48 Q S -1.7022 Soluble
49 G S -0.9983 Soluble
50 L S 0.0000 Buried
51 Q S -0.5420 Soluble
52 W S 0.0000 Buried
53 V S 0.0000 Buried
54 G S 0.0000 Buried
55 W S -0.1925 Soluble
56 I S 0.0000 Buried
57 N S -1.2791 Soluble
58 P S 0.0000 Buried
59 K S -2.0899 Soluble
62 T S -1.4119 Soluble
63 G S -1.4582 Soluble
64 Q S -1.8320 Soluble
65 P S -1.2897 Soluble
66 N S -1.5287 Soluble
67 N S -1.6107 Soluble
68 P S -1.9517 Soluble
69 R S -3.0311 Soluble
70 Q S -2.6333 Soluble
71 F S 0.0000 Buried
72 Q S -2.7428 Soluble
74 G S -1.9796 Soluble
75 R S -1.9273 Soluble
76 V S 0.0000 Buried
77 S S -1.4490 Soluble
78 L S 0.0000 Buried
79 T S -1.0408 Soluble
80 R S -1.3805 Soluble
81 H S -1.0756 Soluble
82 A S -1.0660 Soluble
83 S S -0.4672 Soluble
84 W S 0.0963 Aggregation-prone
85 D S -1.3698 Soluble
85A F S -1.1255 Soluble
85B D S -2.0911 Soluble
85C T S -1.3498 Soluble
85D Y S 0.0000 Buried
86 S S -0.7738 Soluble
87 F S 0.0000 Buried
88 Y S -1.0322 Soluble
89 M S 0.0000 Buried
90 D S -2.2585 Soluble
91 L S 0.0000 Buried
92 K S -2.5896 Soluble
93 A S -1.8137 Soluble
94 L S 0.0000 Buried
95 R S -2.7322 Soluble
96 S S -2.1001 Soluble
97 D S -2.3669 Soluble
98 D S 0.0000 Buried
99 T S -0.8848 Soluble
100 A S 0.0000 Buried
101 V S -0.4319 Soluble
102 Y S 0.0000 Buried
103 F S 0.0000 Buried
104 C S 0.0000 Buried
105 A S 0.0000 Buried
106 R S 0.0000 Buried
107 Q S -0.4289 Soluble
108 R S -0.8631 Soluble
109 S S -0.9173 Soluble
110 D S -1.6344 Soluble
112 Y S -0.4213 Soluble
113 W S -0.3297 Soluble
114 D S 0.0000 Buried
115 F S 0.0000 Buried
116 D S -1.1227 Soluble
117 V S -0.4897 Soluble
118 W S -0.4477 Soluble
119 G S 0.0000 Buried
120 S S -0.5472 Soluble
121 G S -0.7079 Soluble
122 T S 0.0000 Buried
123 Q S -0.9001 Soluble
124 V S 0.0000 Buried
125 T S 0.0000 Buried
126 V S 0.0000 Buried
127 S S -1.0789 Soluble
128 S S -0.8008 Soluble
129 A S -0.6651 Soluble
130 S S -0.6191 Soluble
131 T S -0.8935 Soluble
132 K S -1.1752 Soluble
133 G S -1.3573 Soluble
134 P S -0.7469 Soluble
135 S S -0.3263 Soluble
136 V S 0.0000 Buried
137 F S -0.5370 Soluble
138 P S -1.0931 Soluble
139 L S 0.0000 Buried
140 A S -0.7738 Soluble
141 P S -0.4827 Soluble
142 S S -0.6242 Soluble
143 T S -0.2450 Soluble
144 A S -0.0823 Soluble
145 A S 0.0468 Aggregation-prone
146 L S 0.3004 Aggregation-prone
147 G S 0.0000 Buried
148 C S 0.0000 Buried
149 L S 0.0000 Buried
150 V S 0.0000 Buried
151 K S -0.4942 Soluble
152 D S -0.5810 Soluble
153 Y S 0.0000 Buried
154 F S 0.0000 Buried
155 P S -0.6256 Soluble
156 E S -0.9004 Soluble
157 P S -0.9538 Soluble
158 V S 0.0000 Buried
159 T S -0.5487 Soluble
160 V S 0.0000 Buried
161 S S -0.3917 Soluble
162 W S 0.0000 Buried
163 N S -0.7731 Soluble
164 S S -0.6257 Soluble
165 G S -0.6039 Soluble
166 A S -0.2807 Soluble
167 L S 0.0361 Aggregation-prone
168 T S -0.0720 Soluble
169 S S -0.0996 Soluble
170 G S -0.0933 Soluble
171 V S 0.3697 Aggregation-prone
172 H S -0.2229 Soluble
173 T S -0.1212 Soluble
174 F S 0.0000 Buried
175 P S -0.2434 Soluble
176 A S 0.2795 Aggregation-prone
177 V S 0.4359 Aggregation-prone
178 L S 0.9549 Aggregation-prone
179 Q S -0.0242 Soluble
180 S S -0.2160 Soluble
181 S S -0.3043 Soluble
182 G S -0.1184 Soluble
183 L S 0.0000 Buried
184 Y S 0.1616 Aggregation-prone
185 S S 0.0670 Aggregation-prone
186 L S 0.2104 Aggregation-prone
187 S S -0.0132 Soluble
188 S S 0.0000 Buried
189 V S 0.0000 Buried
190 V S 0.0000 Buried
191 T S -0.0848 Soluble
192 V S 0.0000 Buried
193 P S -0.3380 Soluble
194 S S -0.3853 Soluble
195 S S -0.4806 Soluble
196 S S -0.4903 Soluble
197 L S -0.5029 Soluble
198 G S -0.9692 Soluble
199 T S -0.7143 Soluble
200 Q S -1.3287 Soluble
201 T S -1.1979 Soluble
202 Y S -0.9306 Soluble
203 I S -1.3706 Soluble
204 C S 0.0000 Buried
205 N S -1.3239 Soluble
206 V S 0.0000 Buried
207 N S -2.0589 Soluble
208 H S 0.0000 Buried
209 K S -2.8465 Soluble
210 P S -1.7736 Soluble
211 S S -1.9603 Soluble
212 N S -2.6509 Soluble
213 T S -2.0922 Soluble
214 K S -2.4732 Soluble
215 V S -1.0590 Soluble
216 D S -1.6800 Soluble
217 K S -1.8512 Soluble
218 K S -2.5490 Soluble
219 V S 0.0000 Buried
220 E S -2.5225 Soluble
221 P S -1.1905 Soluble
1 D U -2.0355 Soluble
2 I U -1.1572 Soluble
3 Q U -1.6571 Soluble
4 M U -1.0651 Soluble
5 T U -0.6572 Soluble
6 Q U -0.3732 Soluble
7 S U -0.5105 Soluble
8 P U -0.5464 Soluble
9 S U -0.8287 Soluble
10 S U -0.7044 Soluble
11 L U -0.2921 Soluble
12 S U -0.7940 Soluble
13 A U 0.0000 Buried
14 S U -0.1907 Soluble
15 V U 0.6469 Aggregation-prone
16 G U -0.5936 Soluble
17 D U -0.9509 Soluble
18 T U -0.8878 Soluble
19 V U 0.0000 Buried
20 T U -0.4600 Soluble
21 I U 0.0000 Buried
22 T U -0.9028 Soluble
23 C U 0.0000 Buried
24 Q U -2.2175 Soluble
25 A U 0.0000 Buried
27 N U -2.2467 Soluble
28 G U -0.6629 Soluble
38 Y U 0.0971 Aggregation-prone
39 L U 0.0000 Buried
40 N U 0.0000 Buried
41 W U 0.0000 Buried
42 Y U 0.0000 Buried
43 Q U 0.0000 Buried
44 Q U 0.0000 Buried
45 R U -2.6477 Soluble
46 R U -3.1331 Soluble
47 G U -2.4782 Soluble
48 K U -2.9067 Soluble
49 A U -1.6157 Soluble
50 P U 0.0000 Buried
51 K U -1.7981 Soluble
52 L U 0.0000 Buried
53 L U 0.0000 Buried
54 I U 0.0000 Buried
55 Y U -0.4178 Soluble
56 D U -0.8133 Soluble
57 G U 0.0000 Buried
65 S U -1.8797 Soluble
66 K U -2.0383 Soluble
67 L U -0.9774 Soluble
68 E U -1.4262 Soluble
69 R U -2.2681 Soluble
70 G U -1.2939 Soluble
71 V U -0.8069 Soluble
72 P U -0.6407 Soluble
74 S U -0.6796 Soluble
75 R U -0.8193 Soluble
76 F U 0.0000 Buried
77 S U -1.0685 Soluble
78 G U -1.6710 Soluble
79 R U -2.8101 Soluble
80 R U -2.3978 Soluble
83 W U -0.9157 Soluble
84 G U -1.5868 Soluble
85 Q U -2.5032 Soluble
86 E U -2.6696 Soluble
87 Y U 0.0000 Buried
88 N U -1.6483 Soluble
89 L U 0.0000 Buried
90 T U -0.7373 Soluble
91 I U 0.0000 Buried
92 N U -1.5166 Soluble
93 N U -1.3483 Soluble
94 L U 0.0000 Buried
95 Q U -1.0492 Soluble
96 P U -0.9813 Soluble
97 E U -1.8860 Soluble
98 D U 0.0000 Buried
99 I U -0.8682 Soluble
100 A U -1.2604 Soluble
101 T U -1.0924 Soluble
102 Y U 0.0000 Buried
103 F U 0.0000 Buried
104 C U 0.0000 Buried
105 Q U 0.0000 Buried
106 V U 0.0000 Buried
107 Y U 0.5001 Aggregation-prone
116 E U 0.2111 Aggregation-prone
117 F U 1.0486 Aggregation-prone
118 V U 0.7033 Aggregation-prone
119 V U 0.2311 Aggregation-prone
120 P U -0.6710 Soluble
121 G U 0.0000 Buried
122 T U 0.0000 Buried
123 R U -1.6865 Soluble
124 L U 0.0000 Buried
125 D U -0.4653 Soluble
126 L U -0.3827 Soluble
127 K U -1.0541 Soluble
128 R U -1.6347 Soluble
129 T U -0.6361 Soluble
130 V U 0.7514 Aggregation-prone
131 A U 0.2686 Aggregation-prone
132 A U 0.0269 Aggregation-prone
133 P U 0.0000 Buried
134 S U -0.1686 Soluble
135 V U -0.1259 Soluble
136 F U 0.1213 Aggregation-prone
137 I U 0.0832 Aggregation-prone
138 F U 0.0000 Buried
139 P U -0.3970 Soluble
140 P U -0.6795 Soluble
141 S U -1.6428 Soluble
142 D U -2.9935 Soluble
143 E U -3.2462 Soluble
144 Q U 0.0000 Buried
145 L U -2.2729 Soluble
146 K U -2.7638 Soluble
147 S U -1.6168 Soluble
148 G U -1.2669 Soluble
149 T U -0.8957 Soluble
150 A U 0.0000 Buried
151 S U -0.2036 Soluble
152 V U 0.0000 Buried
153 V U 0.0000 Buried
154 C U 0.0000 Buried
155 L U 0.0000 Buried
156 L U 0.0000 Buried
157 N U 0.0000 Buried
158 N U -0.8422 Soluble
159 F U 0.0000 Buried
160 Y U 0.0000 Buried
161 P U -1.1337 Soluble
162 R U -1.8164 Soluble
163 E U -2.5479 Soluble
164 A U -1.9877 Soluble
165 K U -2.1697 Soluble
166 V U -1.1844 Soluble
167 Q U -0.5498 Soluble
168 W U 0.0000 Buried
169 K U -1.1648 Soluble
170 V U -0.8610 Soluble
171 D U -2.1724 Soluble
172 N U -1.9226 Soluble
173 A U -0.6610 Soluble
174 L U 0.5679 Aggregation-prone
175 Q U -0.1371 Soluble
176 S U -0.5075 Soluble
177 G U -0.9557 Soluble
178 N U -0.9362 Soluble
179 S U -1.1685 Soluble
180 Q U -1.4254 Soluble
181 E U -1.4787 Soluble
182 S U -0.7161 Soluble
183 V U -0.6245 Soluble
184 T U 0.0000 Buried
185 E U -1.8582 Soluble
186 Q U -1.7602 Soluble
187 D U -2.1795 Soluble
188 S U -2.0328 Soluble
189 K U -2.8624 Soluble
190 D U -2.9465 Soluble
191 S U 0.0000 Buried
192 T U -1.3150 Soluble
193 Y U -1.1436 Soluble
194 S U 0.0000 Buried
195 L U 0.0000 Buried
196 S U -0.4010 Soluble
197 S U 0.0000 Buried
198 T U -0.6450 Soluble
199 L U 0.0000 Buried
200 T U -0.5184 Soluble
201 L U -0.3771 Soluble
202 S U -0.9926 Soluble
203 K U -1.9300 Soluble
204 A U -1.6960 Soluble
205 D U -2.0082 Soluble
206 Y U 0.0000 Buried
207 E U -3.5644 Soluble
208 K U -3.5793 Soluble
209 H U -2.8227 Soluble
210 K U -2.5032 Soluble
211 V U 0.2233 Aggregation-prone
212 Y U -0.2638 Soluble
213 A U -0.4780 Soluble
214 C U 0.0000 Buried
215 E U -1.1991 Soluble
216 V U 0.0000 Buried
217 T U -0.9526 Soluble
218 H U 0.0000 Buried
219 Q U -1.2334 Soluble
220 G U -0.2113 Soluble
221 L U 0.0000 Buried
222 S U -0.5427 Soluble
223 S U -0.4416 Soluble
224 P U -0.3484 Soluble
225 V U -0.1041 Soluble
226 T U -0.6253 Soluble
227 K U -0.9438 Soluble
228 S U -0.5812 Soluble
229 F U -0.8857 Soluble
230 N U -2.1432 Soluble
231 R U -2.7010 Soluble
232 G U -1.6942 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 -0.7284 3.5918 CSV PDB
4.5 -0.7735 3.4076 CSV PDB
5.0 -0.8262 3.1689 CSV PDB
5.5 -0.8762 2.911 CSV PDB
6.0 -0.9127 2.7268 CSV PDB
6.5 -0.928 2.663 CSV PDB
7.0 -0.9224 2.6214 CSV PDB
7.5 -0.9031 2.6014 CSV PDB
8.0 -0.8762 2.5937 CSV PDB
8.5 -0.843 2.591 CSV PDB
9.0 -0.8024 2.59 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH