Teropavimab / 7mxd

A4DAB261_7mxd_C_D | Source PDB: 7mxd | Chains: C, D | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.8198
Max Score
1.4554
Min Score
-3.3926
Total Score
-344.31
Score CDR
-0.716
Score non-CDR
-0.8304

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) C (Heavy), D (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 -3.3926
Maximum Score 1.4554
Average Score -0.8198
Total Score -344.3105

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

Index Residue Chain A4D Score Classification
1 Q C -1.4513 Soluble
2 V C -0.8690 Soluble
3 Q C -1.2631 Soluble
4 L C 0.0000 Buried
5 L C 0.1575 Aggregation-prone
6 Q C -0.2170 Soluble
7 S C -0.6540 Soluble
8 G C -0.7335 Soluble
9 A C -0.3230 Soluble
11 A C -0.0680 Soluble
12 V C 0.2835 Aggregation-prone
13 T C -0.5206 Soluble
14 K C -2.0727 Soluble
15 P C -1.9837 Soluble
16 G C -1.6376 Soluble
17 A C -1.3234 Soluble
18 S C -1.4693 Soluble
19 V C 0.0000 Buried
20 R C -2.1615 Soluble
21 V C 0.0000 Buried
22 S C -0.6584 Soluble
23 C C 0.0000 Buried
24 E C -0.5163 Soluble
25 A C 0.0000 Buried
26 S C -0.9907 Soluble
27 G C -1.1412 Soluble
28 Y C -1.1307 Soluble
29 N C -1.4842 Soluble
30 I C 0.0000 Buried
35 R C -1.9216 Soluble
36 D C -2.3088 Soluble
37 Y C -0.8762 Soluble
38 F C 0.0144 Aggregation-prone
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 W C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7242 Soluble
45 A C -0.9735 Soluble
46 P C -0.8781 Soluble
47 G C -1.4435 Soluble
48 Q C -1.6848 Soluble
49 G C -0.9695 Soluble
50 L C 0.0000 Buried
51 Q C -0.5079 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 G C 0.0000 Buried
55 W C -0.1446 Soluble
56 I C 0.0000 Buried
57 N C -1.3162 Soluble
58 P C 0.0000 Buried
59 K C -2.2369 Soluble
62 T C -1.4955 Soluble
63 G C -1.5200 Soluble
64 Q C -1.8190 Soluble
65 P C -1.0713 Soluble
66 N C -1.3987 Soluble
67 N C -1.5302 Soluble
68 P C -1.9274 Soluble
69 R C -3.0372 Soluble
70 Q C -2.5970 Soluble
71 F C 0.0000 Buried
72 Q C -2.6773 Soluble
74 G C -1.8510 Soluble
75 R C -1.5504 Soluble
76 V C 0.0000 Buried
77 S C -1.0897 Soluble
78 L C 0.0000 Buried
79 T C -0.7784 Soluble
80 R C -1.3647 Soluble
81 H C -0.9732 Soluble
82 A C -0.8107 Soluble
83 S C -0.2232 Soluble
84 W C 0.2940 Aggregation-prone
85 D C -1.0995 Soluble
85A F C -0.5552 Soluble
85B D C -1.7512 Soluble
85C T C -1.0826 Soluble
85D Y C 0.0000 Buried
86 S C -0.6519 Soluble
87 F C 0.0000 Buried
88 Y C -0.8332 Soluble
89 M C 0.0000 Buried
90 D C -1.4558 Soluble
91 L C 0.0000 Buried
92 K C -2.0822 Soluble
93 A C -1.5304 Soluble
94 L C 0.0000 Buried
95 R C -2.9990 Soluble
96 S C -2.3018 Soluble
97 D C -2.4574 Soluble
98 D C 0.0000 Buried
99 T C -0.9029 Soluble
100 A C 0.0000 Buried
101 V C -0.3893 Soluble
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 Q C -0.6304 Soluble
108 R C -1.1796 Soluble
109 S C -1.0603 Soluble
110 D C -1.5720 Soluble
112 Y C -0.3959 Soluble
113 W C -0.3720 Soluble
114 D C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.9884 Soluble
117 V C -0.4578 Soluble
118 W C -0.2280 Soluble
119 G C 0.0000 Buried
120 S C -0.5881 Soluble
121 G C -0.6556 Soluble
122 T C 0.0000 Buried
123 Q C -0.8231 Soluble
124 V C 0.0000 Buried
125 T C -0.5292 Soluble
126 V C 0.0000 Buried
127 S C -1.1717 Soluble
128 S C -0.8040 Soluble
129 A C -0.8914 Soluble
130 S C -0.8982 Soluble
131 T C -1.4151 Soluble
132 K C -2.1610 Soluble
133 G C -1.8239 Soluble
134 P C -1.1216 Soluble
135 S C -0.5508 Soluble
136 V C 0.0000 Buried
137 F C -0.6945 Soluble
138 P C -1.0582 Soluble
139 L C 0.0000 Buried
140 A C -0.7468 Soluble
141 P C -0.8185 Soluble
142 S C -0.9484 Soluble
143 T C -0.1813 Soluble
144 A C -0.0438 Soluble
145 A C 0.0000 Buried
146 L C -0.0302 Soluble
147 G C 0.0000 Buried
148 C C 0.0000 Buried
149 L C 0.0000 Buried
150 V C 0.0000 Buried
151 K C -0.5544 Soluble
152 D C -1.1509 Soluble
153 Y C 0.0000 Buried
154 F C 0.0000 Buried
155 P C -1.4134 Soluble
156 E C -2.0045 Soluble
157 P C -1.5839 Soluble
158 V C -0.8085 Soluble
159 T C -0.4803 Soluble
160 V C -0.0604 Soluble
161 S C -0.3098 Soluble
162 W C 0.0000 Buried
163 N C -0.8716 Soluble
164 S C -0.6654 Soluble
165 G C -0.5309 Soluble
166 A C -0.2028 Soluble
167 L C 0.0541 Aggregation-prone
168 T C -0.0241 Soluble
169 S C -0.0300 Soluble
170 G C 0.0581 Aggregation-prone
171 V C 0.6154 Aggregation-prone
172 H C -0.0333 Soluble
173 T C 0.1866 Aggregation-prone
174 F C 0.0000 Buried
175 P C -0.2696 Soluble
176 A C 0.1595 Aggregation-prone
177 V C 0.6332 Aggregation-prone
178 L C 1.4554 Aggregation-prone
179 Q C 0.3150 Aggregation-prone
180 S C 0.0330 Aggregation-prone
181 S C -0.2353 Soluble
182 G C 0.0000 Buried
183 L C 0.0000 Buried
184 Y C 0.0722 Aggregation-prone
185 S C 0.0000 Buried
186 L C 0.2519 Aggregation-prone
187 S C 0.0000 Buried
188 S C 0.0000 Buried
189 V C 0.0000 Buried
190 V C 0.0000 Buried
191 T C -0.0839 Soluble
192 V C 0.0000 Buried
193 P C -0.3716 Soluble
194 S C -0.3708 Soluble
195 S C -0.3323 Soluble
196 S C -0.3787 Soluble
197 L C -0.2742 Soluble
198 G C -0.5413 Soluble
199 T C -0.6566 Soluble
200 Q C -1.0093 Soluble
201 T C -1.0461 Soluble
202 Y C 0.0000 Buried
203 I C -1.6075 Soluble
204 C C 0.0000 Buried
205 N C -1.5332 Soluble
206 V C 0.0000 Buried
207 N C -1.8703 Soluble
208 H C 0.0000 Buried
209 K C -2.8630 Soluble
210 P C -1.9609 Soluble
211 S C -2.0353 Soluble
212 N C -2.5254 Soluble
213 T C -1.9550 Soluble
214 K C -2.6986 Soluble
215 V C -1.6702 Soluble
216 D C -2.6560 Soluble
217 K C -2.2175 Soluble
218 K C -2.6694 Soluble
219 V C 0.0000 Buried
220 E C -2.2618 Soluble
221 P C -1.2461 Soluble
1 D D -1.9033 Soluble
2 I D -0.7874 Soluble
3 Q D -1.4554 Soluble
4 M D -0.9375 Soluble
5 T D -0.6358 Soluble
6 Q D -0.4105 Soluble
7 S D -0.4090 Soluble
8 P D -0.4259 Soluble
9 S D -0.4993 Soluble
10 S D -0.4289 Soluble
11 L D -0.0457 Soluble
12 S D -0.3988 Soluble
13 A D -0.4624 Soluble
14 S D 0.0000 Buried
15 V D -0.3796 Soluble
16 G D -1.2975 Soluble
17 D D -1.5382 Soluble
18 T D -1.2770 Soluble
19 V D 0.0000 Buried
20 T D -0.3082 Soluble
21 I D 0.0000 Buried
22 T D -0.9579 Soluble
23 C D 0.0000 Buried
24 Q D -1.8485 Soluble
25 A D 0.0000 Buried
27 N D -1.5562 Soluble
28 G D -0.4877 Soluble
38 Y D 0.5587 Aggregation-prone
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D -1.6278 Soluble
45 R D -2.5091 Soluble
46 R D -3.2505 Soluble
47 G D -2.4230 Soluble
48 K D -2.8650 Soluble
49 A D -1.5584 Soluble
50 P D 0.0000 Buried
51 K D -1.4334 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.0000 Buried
56 D D -1.2244 Soluble
57 G D 0.0000 Buried
65 S D -2.2714 Soluble
66 K D -2.1114 Soluble
67 L D -1.1805 Soluble
68 E D -1.8007 Soluble
69 R D -2.2076 Soluble
70 G D -1.3636 Soluble
71 V D -0.7623 Soluble
72 P D -0.6544 Soluble
74 S D -0.8642 Soluble
75 R D -1.3402 Soluble
76 F D 0.0000 Buried
77 S D -1.2650 Soluble
78 G D -2.0017 Soluble
79 R D -3.1158 Soluble
80 R D -2.8975 Soluble
83 W D -0.8543 Soluble
84 G D -1.0218 Soluble
85 Q D -2.0192 Soluble
86 E D -2.0571 Soluble
87 Y D 0.0000 Buried
88 N D -1.5704 Soluble
89 L D 0.0000 Buried
90 T D -0.8631 Soluble
91 I D 0.0000 Buried
92 N D -2.2276 Soluble
93 N D -2.3366 Soluble
94 L D 0.0000 Buried
95 Q D -1.6521 Soluble
96 P D -1.2694 Soluble
97 E D -1.9222 Soluble
98 D D 0.0000 Buried
99 I D -0.7197 Soluble
100 A D 0.0000 Buried
101 T D -0.7792 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 V D 0.0000 Buried
107 Y D 0.7079 Aggregation-prone
116 E D 0.2906 Aggregation-prone
117 F D 1.0216 Aggregation-prone
118 V D 0.6828 Aggregation-prone
119 V D 0.2134 Aggregation-prone
120 P D -0.5669 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 R D -0.7561 Soluble
124 L D 0.0000 Buried
125 D D -0.6183 Soluble
126 L D -0.6755 Soluble
127 K D -1.5636 Soluble
128 R D -1.8056 Soluble
129 T D -0.5525 Soluble
130 V D 0.8788 Aggregation-prone
131 A D 0.5215 Aggregation-prone
132 A D 0.0923 Aggregation-prone
133 P D 0.0006 Aggregation-prone
134 S D -0.2090 Soluble
135 V D 0.0000 Buried
136 F D 0.2877 Aggregation-prone
137 I D 0.0697 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.6063 Soluble
140 P D -0.7630 Soluble
141 S D -1.7676 Soluble
142 D D -3.1250 Soluble
143 E D -3.1060 Soluble
144 Q D 0.0000 Buried
145 L D -2.2171 Soluble
146 K D -2.7147 Soluble
147 S D -1.7272 Soluble
148 G D -1.0901 Soluble
149 T D -0.9177 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D -0.3021 Soluble
158 N D -0.4695 Soluble
159 F D 0.0000 Buried
160 Y D -0.9288 Soluble
161 P D -1.5228 Soluble
162 R D -2.7588 Soluble
163 E D -3.2025 Soluble
164 A D -2.3346 Soluble
165 K D -2.6513 Soluble
166 V D -1.7751 Soluble
167 Q D -2.1354 Soluble
168 W D 0.0000 Buried
169 K D -2.6599 Soluble
170 V D -1.5417 Soluble
171 D D -2.5576 Soluble
172 N D -2.3680 Soluble
173 A D -1.0602 Soluble
174 L D -0.1177 Soluble
175 Q D -1.3616 Soluble
176 S D -1.1470 Soluble
177 G D -1.3111 Soluble
178 N D -1.4329 Soluble
179 S D -1.4888 Soluble
180 Q D -1.2449 Soluble
181 E D -1.6497 Soluble
182 S D -0.3877 Soluble
183 V D -0.0137 Soluble
184 T D -0.6565 Soluble
185 E D -2.2912 Soluble
186 Q D -2.1771 Soluble
187 D D -2.6481 Soluble
188 S D -2.1518 Soluble
189 K D -2.5951 Soluble
190 D D -2.1252 Soluble
191 S D -1.9842 Soluble
192 T D 0.0000 Buried
193 Y D -1.0364 Soluble
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.5959 Soluble
199 L D -0.5297 Soluble
200 T D -0.3082 Soluble
201 L D -0.2799 Soluble
202 S D -0.7947 Soluble
203 K D -1.6326 Soluble
204 A D -1.6501 Soluble
205 D D -2.1478 Soluble
206 Y D 0.0000 Buried
207 E D -3.3926 Soluble
208 K D -3.3491 Soluble
209 H D -2.4252 Soluble
210 K D -2.1862 Soluble
211 V D 0.1100 Aggregation-prone
212 Y D 0.0000 Buried
213 A D -0.5010 Soluble
214 C D 0.0000 Buried
215 E D -2.2970 Soluble
216 V D 0.0000 Buried
217 T D -1.5256 Soluble
218 H D 0.0000 Buried
219 Q D -1.6544 Soluble
220 G D -0.7028 Soluble
221 L D -0.5142 Soluble
222 S D -0.5559 Soluble
223 S D -0.4796 Soluble
224 P D -0.6387 Soluble
225 V D -0.2319 Soluble
226 T D -0.6776 Soluble
227 K D -0.4411 Soluble
228 S D -0.3842 Soluble
229 F D -0.5689 Soluble
230 N D -1.6513 Soluble
231 R D -2.0592 Soluble
232 G D -1.4458 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 -0.7097 3.9984 CSV PDB
4.5 -0.7612 3.7873 CSV PDB
5.0 -0.8225 3.5371 CSV PDB
5.5 -0.8815 3.2748 CSV PDB
6.0 -0.9255 3.0162 CSV PDB
6.5 -0.9461 2.7624 CSV PDB
7.0 -0.9442 2.5082 CSV PDB
7.5 -0.9274 2.4876 CSV PDB
8.0 -0.9024 2.4795 CSV PDB
8.5 -0.8703 2.4767 CSV PDB
9.0 -0.8298 2.4755 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH