Barecetamab / 7d85

A4DAB034_7d85_E_F | Source PDB: 7d85 | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6677
Max Score
1.3366
Min Score
-3.2009
Total Score
-287.12
Score CDR
-0.4169
Score non-CDR
-0.7022

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSDYDMSWVRQAPGKGLEWVSTIDLDSGSIYYADSVQGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDLHMGPEGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSVLTQPPSASGTPGQRVTISCSGSSSNIGSNSVSWYQQLPGTAPKLLIYSDNHRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCQGWDTSLSGHVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTE input.pdb
Selected Chain(s) E (Heavy), F (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 -3.2009
Maximum Score 1.3366
Average Score -0.6677
Total Score -287.1233

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

Index Residue Chain A4D Score Classification
1 E E -1.9327 Soluble
2 V E -0.8911 Soluble
3 Q E -0.9603 Soluble
4 L E 0.0000 Buried
5 L E 0.3058 Aggregation-prone
6 E E -0.1987 Soluble
7 S E -0.5197 Soluble
8 G E -0.9913 Soluble
9 G E -0.4922 Soluble
11 G E -0.0509 Soluble
12 L E -0.0349 Soluble
13 V E -0.6070 Soluble
14 Q E -1.6274 Soluble
15 P E -1.8127 Soluble
16 G E -1.4671 Soluble
17 G E -1.1189 Soluble
18 S E -1.2573 Soluble
19 L E -1.0673 Soluble
20 R E -2.0158 Soluble
21 L E 0.0000 Buried
22 S E -0.4229 Soluble
23 C E 0.0000 Buried
24 A E -0.2792 Soluble
25 A E 0.0000 Buried
26 S E -0.8102 Soluble
27 G E -1.0851 Soluble
28 F E -0.4852 Soluble
29 T E -0.4070 Soluble
30 F E 0.0000 Buried
35 S E -1.2574 Soluble
36 D E -1.2010 Soluble
37 Y E -0.4546 Soluble
38 D E -0.3614 Soluble
39 M E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.8074 Soluble
45 A E -1.1511 Soluble
46 P E -0.9644 Soluble
47 G E -1.4606 Soluble
48 K E -2.2884 Soluble
49 G E -1.5757 Soluble
50 L E 0.0000 Buried
51 E E -0.9847 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 S E 0.0000 Buried
55 T E 0.0000 Buried
56 I E 0.0000 Buried
57 D E -0.6110 Soluble
58 L E -1.2371 Soluble
59 D E -2.2060 Soluble
62 S E -1.1880 Soluble
63 G E -0.8967 Soluble
64 S E -0.0388 Soluble
65 I E 0.9444 Aggregation-prone
66 Y E 0.7380 Aggregation-prone
67 Y E -0.1087 Soluble
68 A E 0.0000 Buried
69 D E -2.1392 Soluble
70 S E -1.5288 Soluble
71 V E 0.0000 Buried
72 Q E -1.9614 Soluble
74 G E -1.3999 Soluble
75 R E 0.0000 Buried
76 F E 0.0000 Buried
77 T E -0.4380 Soluble
78 I E 0.0000 Buried
79 S E -0.1413 Soluble
80 R E -1.1226 Soluble
81 D E -1.6611 Soluble
82 N E -1.9685 Soluble
83 S E -1.6001 Soluble
84 K E -2.4018 Soluble
85 N E -1.8863 Soluble
86 T E -1.0687 Soluble
87 L E 0.0000 Buried
88 Y E -0.2393 Soluble
89 L E 0.0000 Buried
90 Q E -1.0079 Soluble
91 M E 0.0000 Buried
92 N E -1.4476 Soluble
93 S E -1.3224 Soluble
94 L E 0.0000 Buried
95 R E -2.5189 Soluble
96 A E -1.8306 Soluble
97 E E -2.3059 Soluble
98 D E 0.0000 Buried
99 T E -0.7178 Soluble
100 A E 0.0000 Buried
101 V E 0.2254 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 K E 0.0000 Buried
107 D E -0.2044 Soluble
108 L E 0.1560 Aggregation-prone
109 H E -0.1241 Soluble
110 M E 0.7117 Aggregation-prone
111 G E 0.0187 Aggregation-prone
112A P E -0.5856 Soluble
112 E E -1.2172 Soluble
113 G E -0.5028 Soluble
114 P E -0.2520 Soluble
115 F E 0.0000 Buried
116 D E -0.5989 Soluble
117 Y E 0.0172 Aggregation-prone
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.1767 Soluble
121 G E -0.4484 Soluble
122 T E -0.1577 Soluble
123 L E 0.0388 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.0000 Buried
126 V E 0.0000 Buried
127 S E -1.0440 Soluble
128 S E -0.6543 Soluble
129 A E -0.4549 Soluble
130 S E -0.5470 Soluble
131 T E -0.5854 Soluble
132 K E -0.9941 Soluble
133 G E -1.2979 Soluble
134 P E 0.0000 Buried
135 S E -0.2599 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -0.9011 Soluble
139 L E 0.0000 Buried
140 A E -1.1415 Soluble
141 P E 0.0000 Buried
142 S E -0.7337 Soluble
143 S E -0.6493 Soluble
144 G E -0.6381 Soluble
145 T E -0.4582 Soluble
146 A E -0.2838 Soluble
147 A E -0.0526 Soluble
148 L E 0.0000 Buried
149 G E 0.0000 Buried
150 C E 0.0000 Buried
151 L E 0.0000 Buried
152 V E 0.0000 Buried
153 K E 0.0000 Buried
154 D E -0.3122 Soluble
155 Y E 0.0000 Buried
156 F E 0.0000 Buried
157 P E 0.0000 Buried
158 E E -0.7043 Soluble
159 P E -0.7766 Soluble
160 V E -0.4996 Soluble
161 T E -0.5428 Soluble
162 V E -0.3505 Soluble
163 S E -0.3970 Soluble
164 W E 0.0000 Buried
165 N E -0.7377 Soluble
166 S E -0.6865 Soluble
167 G E -0.5745 Soluble
168 A E -0.2578 Soluble
169 L E 0.0046 Aggregation-prone
170 T E -0.1546 Soluble
171 S E -0.2093 Soluble
172 G E -0.2802 Soluble
173 V E 0.1303 Aggregation-prone
174 H E -0.1298 Soluble
175 T E 0.0365 Aggregation-prone
176 F E 0.0000 Buried
177 P E -0.0008 Soluble
178 A E 0.1953 Aggregation-prone
179 V E 0.0000 Buried
180 L E 1.2190 Aggregation-prone
181 Q E 0.2266 Aggregation-prone
182 S E -0.1778 Soluble
183 S E -0.1768 Soluble
184 G E 0.0638 Aggregation-prone
185 L E 0.1091 Aggregation-prone
186 Y E 0.3896 Aggregation-prone
187 S E 0.0000 Buried
188 L E 0.0000 Buried
189 S E 0.0000 Buried
190 S E 0.0000 Buried
191 V E 0.2104 Aggregation-prone
192 V E 0.0000 Buried
193 T E -0.1227 Soluble
194 V E 0.0000 Buried
195 P E -0.4862 Soluble
196 S E -0.5038 Soluble
197 S E -0.5695 Soluble
198 S E 0.0000 Buried
199 L E -0.6304 Soluble
200 G E -1.0226 Soluble
201 T E -0.8294 Soluble
202 Q E -1.4521 Soluble
203 T E -1.1516 Soluble
204 Y E 0.0000 Buried
205 I E -1.0346 Soluble
206 C E 0.0000 Buried
207 N E -1.4078 Soluble
208 V E 0.0000 Buried
209 N E -1.8998 Soluble
210 H E 0.0000 Buried
211 K E -2.7429 Soluble
212 P E -1.5753 Soluble
213 S E -1.7880 Soluble
214 N E -2.4541 Soluble
215 T E -2.0626 Soluble
216 K E -2.6929 Soluble
217 V E -1.7028 Soluble
218 D E -2.4089 Soluble
219 K E -1.8893 Soluble
220 K E -2.0265 Soluble
221 V E 0.0000 Buried
222 E E -2.5090 Soluble
223 P E -1.8595 Soluble
224 K E -2.2162 Soluble
2 S F 0.3896 Aggregation-prone
3 V F 1.3366 Aggregation-prone
4 L F 0.0000 Buried
5 T F -0.0414 Soluble
6 Q F -0.4110 Soluble
7 P F -0.5924 Soluble
8 P F -0.8108 Soluble
9 S F -0.7916 Soluble
11 A F -0.5494 Soluble
12 S F -0.5707 Soluble
13 G F -0.9959 Soluble
14 T F -1.0543 Soluble
15 P F -1.5439 Soluble
16 G F -1.8829 Soluble
17 Q F -2.4226 Soluble
18 R F -2.6152 Soluble
19 V F 0.0000 Buried
20 T F -0.6093 Soluble
21 I F 0.0000 Buried
22 S F -0.3975 Soluble
23 C F 0.0000 Buried
24 S F -0.3143 Soluble
25 G F -0.2537 Soluble
26 S F -0.4099 Soluble
27 S F -0.6925 Soluble
28 S F -0.3646 Soluble
29 N F 0.0000 Buried
30 I F 0.0000 Buried
35 G F -0.8634 Soluble
36 S F -0.6164 Soluble
37 N F -0.5160 Soluble
38 S F -0.6310 Soluble
39 V F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -0.7117 Soluble
45 L F -0.6040 Soluble
46 P F -0.5433 Soluble
47 G F -0.6780 Soluble
48 T F -0.7027 Soluble
49 A F -0.7262 Soluble
50 P F 0.0000 Buried
51 K F -1.1844 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.0000 Buried
56 S F -1.3955 Soluble
57 D F -1.7112 Soluble
65 N F -2.3568 Soluble
66 H F -2.5339 Soluble
67 R F -2.1957 Soluble
68 P F -1.1388 Soluble
69 S F -1.0559 Soluble
70 G F -0.9776 Soluble
71 V F 0.0000 Buried
72 P F -1.4549 Soluble
74 D F -2.4319 Soluble
75 R F -1.6878 Soluble
76 F F 0.0000 Buried
77 S F -1.5483 Soluble
78 G F -1.3430 Soluble
79 S F -1.2213 Soluble
80 K F -1.1780 Soluble
83 S F -0.8124 Soluble
84 G F -0.9020 Soluble
85 T F -0.8006 Soluble
86 S F -0.7191 Soluble
87 A F 0.0000 Buried
88 S F -0.6554 Soluble
89 L F 0.0000 Buried
90 A F -0.6851 Soluble
91 I F 0.0000 Buried
92 S F -2.0194 Soluble
93 G F -1.7242 Soluble
94 L F 0.0000 Buried
95 R F -2.3400 Soluble
96 S F -1.9249 Soluble
97 E F -2.3279 Soluble
98 D F 0.0000 Buried
99 E F -1.2555 Soluble
100 A F 0.0000 Buried
101 D F -1.0677 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 G F 0.0000 Buried
107 W F 0.0691 Aggregation-prone
108 D F 0.0000 Buried
109 T F -0.1160 Soluble
110 S F 0.0075 Aggregation-prone
113 L F 0.2190 Aggregation-prone
114 S F 0.1657 Aggregation-prone
115 G F 0.0000 Buried
116 H F 0.1873 Aggregation-prone
117 V F 0.0000 Buried
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 G F -0.6775 Soluble
121 G F -1.0726 Soluble
122 T F 0.0000 Buried
123 K F -1.1898 Soluble
124 L F 0.0000 Buried
125 T F -0.7125 Soluble
126 V F 0.0000 Buried
127 L F -0.3081 Soluble
128 G F -0.7683 Soluble
129 Q F -1.1356 Soluble
130 P F -1.3336 Soluble
131 K F -2.3024 Soluble
132 A F -1.4124 Soluble
133 A F -0.8548 Soluble
134 P F 0.0000 Buried
135 S F -0.6125 Soluble
136 V F 0.0000 Buried
137 T F -0.5310 Soluble
138 L F 0.0000 Buried
139 F F 0.0000 Buried
140 P F -0.3555 Soluble
141 P F 0.0000 Buried
142 S F -1.0072 Soluble
143 S F -1.6116 Soluble
144 E F -2.4318 Soluble
145 E F 0.0000 Buried
146 L F -2.1265 Soluble
147 Q F -2.4372 Soluble
148 A F -2.0662 Soluble
149 N F -2.8753 Soluble
150 K F -2.9859 Soluble
151 A F 0.0000 Buried
152 T F 0.0000 Buried
153 L F 0.0000 Buried
154 V F 0.0000 Buried
155 C F 0.0000 Buried
156 L F 0.0000 Buried
157 I F 0.0000 Buried
158 S F -0.7242 Soluble
159 D F -1.6629 Soluble
160 F F 0.0000 Buried
161 Y F 0.0000 Buried
162 P F -1.1000 Soluble
163 G F -0.6050 Soluble
164 A F -0.2171 Soluble
165 V F -0.1195 Soluble
166 T F -0.0616 Soluble
167 V F 0.1047 Aggregation-prone
168 A F -0.4465 Soluble
169 W F 0.0000 Buried
170 K F -1.0464 Soluble
171 A F 0.0000 Buried
172 D F -1.4996 Soluble
173 S F -0.9946 Soluble
174 S F -0.8358 Soluble
175 P F -0.8834 Soluble
176 V F -0.8850 Soluble
177 K F -1.7499 Soluble
178 A F -0.8856 Soluble
179 G F -0.8383 Soluble
180 V F -0.7228 Soluble
181 E F -0.5726 Soluble
182 T F -0.0965 Soluble
183 T F 0.0000 Buried
184 T F -0.1088 Soluble
185 P F -0.2902 Soluble
186 S F -0.6397 Soluble
187 K F -1.3581 Soluble
188 Q F -1.3163 Soluble
189 S F -1.1328 Soluble
190 N F -1.4999 Soluble
191 N F -1.6820 Soluble
192 K F -1.7598 Soluble
193 Y F -0.9958 Soluble
194 A F 0.0000 Buried
195 A F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 Y F 0.0000 Buried
199 L F 0.0000 Buried
200 S F -0.5319 Soluble
201 L F -1.1092 Soluble
202 T F -1.8217 Soluble
203 P F 0.0000 Buried
204 E F -3.2009 Soluble
205 Q F -2.5293 Soluble
206 W F 0.0000 Buried
207 K F -3.0575 Soluble
208 S F -2.4249 Soluble
209 H F -2.2902 Soluble
210 K F -2.3732 Soluble
211 S F -1.4676 Soluble
212 Y F 0.0000 Buried
213 S F 0.0000 Buried
214 C F 0.0000 Buried
215 Q F -0.9287 Soluble
216 V F 0.0000 Buried
217 T F -0.6078 Soluble
218 H F 0.0000 Buried
219 E F -2.2716 Soluble
220 G F -1.3947 Soluble
221 S F -0.8140 Soluble
222 T F -0.5712 Soluble
223 V F -0.4815 Soluble
224 E F -1.6393 Soluble
225 K F -1.7535 Soluble
226 T F -0.9821 Soluble
227 V F -0.7501 Soluble
228 A F -1.3348 Soluble
229 P F -1.4994 Soluble
230 T F -1.4363 Soluble
231 E F -1.8449 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 -0.6108 1.8466 CSV PDB
4.5 -0.6482 1.8317 CSV PDB
5.0 -0.6926 1.809 CSV PDB
5.5 -0.7347 1.7825 CSV PDB
6.0 -0.7645 1.7577 CSV PDB
6.5 -0.7745 1.7393 CSV PDB
7.0 -0.7653 1.7281 CSV PDB
7.5 -0.7437 1.7214 CSV PDB
8.0 -0.7155 1.7168 CSV PDB
8.5 -0.6824 1.7133 CSV PDB
9.0 -0.6445 1.7114 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH