Teropavimab / 4jpv

A4DAB261_4jpv_H_L | Source PDB: 4jpv | Chains: H, L | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7866
Max Score
1.5271
Min Score
-3.5986
Total Score
-330.36
Score CDR
-0.7826
Score non-CDR
-0.787

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.5986
Maximum Score 1.5271
Average Score -0.7866
Total Score -330.3637

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

Index Residue Chain A4D Score Classification
1 Q H -1.3284 Soluble
2 V H -0.7784 Soluble
3 Q H -0.7459 Soluble
4 L H 0.0000 Buried
5 L H 0.7493 Aggregation-prone
6 Q H 0.0213 Aggregation-prone
7 S H -0.5999 Soluble
8 G H -0.5732 Soluble
9 A H -0.2689 Soluble
11 A H 0.1573 Aggregation-prone
12 V H 0.8889 Aggregation-prone
13 T H -0.2970 Soluble
14 K H -1.9735 Soluble
15 P H -2.0501 Soluble
16 G H -1.6367 Soluble
17 A H -1.2642 Soluble
18 S H -1.4173 Soluble
19 V H -0.9351 Soluble
20 R H -1.8442 Soluble
21 V H 0.0000 Buried
22 S H -0.6216 Soluble
23 C H 0.0000 Buried
24 E H -0.8957 Soluble
25 A H 0.0000 Buried
26 S H -1.0112 Soluble
27 G H -1.3662 Soluble
28 Y H -1.4897 Soluble
29 N H -2.0747 Soluble
30 I H 0.0000 Buried
35 R H -2.7316 Soluble
36 D H -2.7935 Soluble
37 Y H -1.2433 Soluble
38 F H -0.2224 Soluble
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 W H 0.0000 Buried
43 R H -0.5404 Soluble
44 Q H -0.7781 Soluble
45 A H -1.0282 Soluble
46 P H -0.8498 Soluble
47 G H -1.2421 Soluble
48 Q H -1.7358 Soluble
49 G H -1.0356 Soluble
50 L H -0.5021 Soluble
51 Q H -0.6957 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.4811 Soluble
56 I H 0.0000 Buried
57 N H -1.5676 Soluble
58 P H 0.0000 Buried
59 K H -2.7189 Soluble
62 T H -1.6326 Soluble
63 G H -1.6544 Soluble
64 Q H -1.9743 Soluble
65 P H -1.4112 Soluble
66 N H -1.8490 Soluble
67 N H -1.8513 Soluble
68 P H -2.0461 Soluble
69 R H -3.1381 Soluble
70 Q H -2.6636 Soluble
71 F H 0.0000 Buried
72 Q H -2.7670 Soluble
74 G H -1.8564 Soluble
75 R H -1.7150 Soluble
76 V H -1.2009 Soluble
77 S H -0.9395 Soluble
78 L H 0.0000 Buried
79 T H -0.7556 Soluble
80 R H -1.4970 Soluble
81 H H -1.1669 Soluble
82 A H -0.8512 Soluble
83 S H -0.1008 Soluble
84 W H 0.3717 Aggregation-prone
85 D H -1.0687 Soluble
85A F H -0.2130 Soluble
85B D H -1.8108 Soluble
85C T H -1.1024 Soluble
85D Y H 0.0000 Buried
86 S H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H -0.7562 Soluble
89 M H 0.0000 Buried
90 D H -1.1282 Soluble
91 L H 0.0000 Buried
92 K H -1.7895 Soluble
93 A H -1.4206 Soluble
94 L H 0.0000 Buried
95 R H -3.0375 Soluble
96 S H -2.3311 Soluble
97 D H -2.4797 Soluble
98 D H 0.0000 Buried
99 T H -0.9262 Soluble
100 A H 0.0000 Buried
101 V H -0.2460 Soluble
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.0471 Soluble
107 Q H -0.6364 Soluble
108 R H -1.0499 Soluble
109 S H -1.0468 Soluble
110 D H -1.6983 Soluble
112 Y H -0.4829 Soluble
113 W H 0.0000 Buried
114 D H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5869 Soluble
117 V H -0.2214 Soluble
118 W H -0.2047 Soluble
119 G H 0.0000 Buried
120 S H -0.4184 Soluble
121 G H -0.5183 Soluble
122 T H 0.0000 Buried
123 Q H -0.7590 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2764 Soluble
128 S H -0.7726 Soluble
129 A H -0.6698 Soluble
130 S H -0.6106 Soluble
131 T H -0.6840 Soluble
132 K H -1.2971 Soluble
133 G H -1.4273 Soluble
134 P H -0.6534 Soluble
135 S H -0.4832 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3178 Soluble
139 L H 0.0000 Buried
140 A H -0.6151 Soluble
141 P H 0.0000 Buried
142 S H -0.1810 Soluble
143 T H -0.2883 Soluble
144 A H -0.1096 Soluble
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H 0.0000 Buried
152 D H -0.4156 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.6012 Soluble
157 P H -0.8283 Soluble
158 V H -0.5797 Soluble
159 T H -0.4387 Soluble
160 V H -0.2666 Soluble
161 S H -0.4417 Soluble
162 W H 0.0000 Buried
163 N H -0.8312 Soluble
164 S H -0.7052 Soluble
165 G H -0.5532 Soluble
166 A H -0.2576 Soluble
167 L H -0.0416 Soluble
168 T H -0.2293 Soluble
169 S H -0.2548 Soluble
170 G H -0.4834 Soluble
171 V H 0.0684 Aggregation-prone
172 H H -0.3169 Soluble
173 T H -0.1138 Soluble
174 F H 0.0000 Buried
175 P H -0.2530 Soluble
176 A H 0.3325 Aggregation-prone
177 V H 0.8570 Aggregation-prone
178 L H 1.5271 Aggregation-prone
179 Q H 0.5208 Aggregation-prone
180 S H 0.0749 Aggregation-prone
181 S H -0.1274 Soluble
182 G H 0.0625 Aggregation-prone
183 L H 0.1500 Aggregation-prone
184 Y H 0.5885 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1254 Soluble
192 V H -0.0951 Soluble
193 P H -0.3097 Soluble
194 S H -0.4049 Soluble
195 S H -0.5010 Soluble
196 S H -0.5175 Soluble
197 L H -0.6401 Soluble
198 G H -0.9788 Soluble
199 T H -0.8120 Soluble
200 Q H -1.4618 Soluble
201 T H -1.2253 Soluble
202 Y H 0.0000 Buried
203 I H -1.4976 Soluble
204 C H 0.0000 Buried
205 N H -1.6087 Soluble
206 V H 0.0000 Buried
207 N H -2.0068 Soluble
208 H H 0.0000 Buried
209 K H -2.7892 Soluble
210 P H -1.5051 Soluble
211 S H -1.8879 Soluble
212 N H -2.6475 Soluble
213 T H -2.1419 Soluble
214 K H -2.7889 Soluble
215 V H -1.9294 Soluble
216 D H -2.8347 Soluble
217 K H -2.4839 Soluble
218 K H -2.7756 Soluble
219 V H 0.0000 Buried
220 E H -2.5121 Soluble
221 P H -1.1524 Soluble
1 D L -1.8543 Soluble
2 I L -0.8284 Soluble
3 Q L -1.4589 Soluble
4 M L -1.0240 Soluble
5 T L -0.9344 Soluble
6 Q L -0.9311 Soluble
7 S L -0.6190 Soluble
8 P L -0.6119 Soluble
9 S L -0.8410 Soluble
10 S L -0.7546 Soluble
11 L L -0.1556 Soluble
12 S L -0.4995 Soluble
13 A L -0.2969 Soluble
14 S L -0.3767 Soluble
15 V L 0.6567 Aggregation-prone
16 G L -0.9697 Soluble
17 D L -1.2418 Soluble
18 T L -0.8994 Soluble
19 V L -0.3893 Soluble
20 T L -0.0193 Soluble
21 I L -0.1690 Soluble
22 T L -0.8708 Soluble
23 C L 0.0000 Buried
24 Q L -2.2815 Soluble
25 A L 0.0000 Buried
27 N L -2.1635 Soluble
28 G L -0.6212 Soluble
38 Y L 0.1757 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L -1.9354 Soluble
45 R L -2.8887 Soluble
46 R L -3.3767 Soluble
47 G L -2.4492 Soluble
48 K L -2.9255 Soluble
49 A L -1.5878 Soluble
50 P L 0.0000 Buried
51 K L -1.3573 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0331 Aggregation-prone
56 D L 0.0000 Buried
57 G L 0.0000 Buried
65 S L -1.0903 Soluble
66 K L -1.3065 Soluble
67 L L -0.8299 Soluble
68 E L -1.4515 Soluble
69 R L -2.2099 Soluble
70 G L -1.3560 Soluble
71 V L -0.9236 Soluble
72 P L -0.6900 Soluble
74 S L -0.8760 Soluble
75 R L -1.0472 Soluble
76 F L 0.0000 Buried
77 S L -0.8367 Soluble
78 G L -1.0780 Soluble
79 R L -1.9388 Soluble
80 R L -1.8278 Soluble
83 W L -0.5332 Soluble
84 G L -1.4514 Soluble
85 Q L -2.4228 Soluble
86 E L -2.4918 Soluble
87 Y L 0.0000 Buried
88 N L -1.1138 Soluble
89 L L 0.0000 Buried
90 T L 0.0000 Buried
91 I L 0.0000 Buried
92 N L -1.7080 Soluble
93 N L -2.0096 Soluble
94 L L 0.0000 Buried
95 Q L -1.4170 Soluble
96 P L -1.3800 Soluble
97 E L -2.1305 Soluble
98 D L 0.0000 Buried
99 I L -0.5943 Soluble
100 A L -1.2953 Soluble
101 T L -1.2410 Soluble
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 V L 0.0000 Buried
107 Y L 0.6056 Aggregation-prone
116 E L 0.3233 Aggregation-prone
117 F L 0.8974 Aggregation-prone
118 V L 0.3875 Aggregation-prone
119 V L 0.0000 Buried
120 P L -0.9376 Soluble
121 G L -0.8609 Soluble
122 T L 0.0000 Buried
123 R L -1.6343 Soluble
124 L L 0.0000 Buried
125 D L 0.0000 Buried
126 L L -0.3534 Soluble
127 K L -1.2606 Soluble
128 R L -1.7200 Soluble
129 T L -0.3786 Soluble
130 V L 0.7984 Aggregation-prone
131 A L 0.3897 Aggregation-prone
132 A L 0.1392 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.0758 Soluble
135 V L 0.0000 Buried
136 F L 0.2280 Aggregation-prone
137 I L 0.1970 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5073 Soluble
140 P L -0.9026 Soluble
141 S L -1.7295 Soluble
142 D L -3.0660 Soluble
143 E L -3.2566 Soluble
144 Q L 0.0000 Buried
145 L L -2.3370 Soluble
146 K L -2.8497 Soluble
147 S L -1.7666 Soluble
148 G L -1.3024 Soluble
149 T L -1.0197 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 -0.2948 Soluble
158 N L -0.5616 Soluble
159 F L 0.0000 Buried
160 Y L -0.7652 Soluble
161 P L -1.3747 Soluble
162 R L -2.4126 Soluble
163 E L -2.9053 Soluble
164 A L -2.0623 Soluble
165 K L -2.1624 Soluble
166 V L -1.1836 Soluble
167 Q L -1.0105 Soluble
168 W L 0.0000 Buried
169 K L -1.1425 Soluble
170 V L 0.0000 Buried
171 D L -2.4716 Soluble
172 N L -1.7940 Soluble
173 A L -0.8960 Soluble
174 L L -0.1036 Soluble
175 Q L -0.6509 Soluble
176 S L -0.7391 Soluble
177 G L -1.0070 Soluble
178 N L -1.0462 Soluble
179 S L -1.2778 Soluble
180 Q L -1.2520 Soluble
181 E L -1.7426 Soluble
182 S L -0.4912 Soluble
183 V L -0.1009 Soluble
184 T L -0.8027 Soluble
185 E L -2.3282 Soluble
186 Q L -1.7682 Soluble
187 D L -2.1365 Soluble
188 S L -2.0360 Soluble
189 K L -2.3039 Soluble
190 D L -1.6036 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 -0.7150 Soluble
199 L L 0.0000 Buried
200 T L -0.2532 Soluble
201 L L -0.4387 Soluble
202 S L -1.1678 Soluble
203 K L -1.9799 Soluble
204 A L -1.8141 Soluble
205 D L -2.4748 Soluble
206 Y L 0.0000 Buried
207 E L -3.4820 Soluble
208 K L -3.5986 Soluble
209 H L -2.9996 Soluble
210 K L -3.2095 Soluble
211 V L -1.9549 Soluble
212 Y L 0.0000 Buried
213 A L -0.9198 Soluble
214 C L 0.0000 Buried
215 E L -1.0029 Soluble
216 V L 0.0000 Buried
217 T L -1.2270 Soluble
218 H L 0.0000 Buried
219 Q L -1.7760 Soluble
220 G L -0.7095 Soluble
221 L L -0.4072 Soluble
222 S L -0.4872 Soluble
223 S L -0.4503 Soluble
224 P L -0.6403 Soluble
225 V L -0.0601 Soluble
226 T L -0.5114 Soluble
227 K L -0.6003 Soluble
228 S L -0.5988 Soluble
229 F L -0.8939 Soluble
230 N L -2.1684 Soluble
231 R L -2.4153 Soluble
232 G L -1.4919 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.7044 4.1943 CSV PDB
4.5 -0.7514 3.9629 CSV PDB
5.0 -0.8056 3.6965 CSV PDB
5.5 -0.8576 3.4205 CSV PDB
6.0 -0.8964 3.1485 CSV PDB
6.5 -0.9141 2.8804 CSV PDB
7.0 -0.9109 2.6085 CSV PDB
7.5 -0.8937 2.3335 CSV PDB
8.0 -0.8682 2.0687 CSV PDB
8.5 -0.8354 1.9713 CSV PDB
9.0 -0.7947 1.9703 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH