Berlimatoxumab / 5k59

A4DAB042_5k59_E_F | Source PDB: 5k59 | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.659
Max Score
1.1833
Min Score
-3.5695
Total Score
-278.12
Score CDR
-0.3483
Score non-CDR
-0.6971

Calculation Parameters

Chain Sequence(s) ELQLQESGPGLVKPSETLSLTCTVSGGSISSGSYYWDWIRQPPGKGLEWIGNIYKSGSTYYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARERGMHYMDVWGKGTTVTVSSASTKGPSVFPLAPGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKDIQMTQSPSSLSASVGDRVTITCRASQSINSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQQFDPPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.5695
Maximum Score 1.1833
Average Score -0.659
Total Score -278.115

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

Index Residue Chain A4D Score Classification
1 E E -2.1550 Soluble
2 L E -1.4579 Soluble
3 Q E -1.8861 Soluble
4 L E 0.0000 Buried
5 Q E -1.6145 Soluble
6 E E 0.0000 Buried
7 S E -0.6691 Soluble
8 G E -0.6529 Soluble
9 P E -0.6403 Soluble
11 G E -0.5292 Soluble
12 L E -0.3831 Soluble
13 V E 0.0000 Buried
14 K E -2.3356 Soluble
15 P E -1.5732 Soluble
16 S E -1.5046 Soluble
17 E E -2.1708 Soluble
18 T E -1.4423 Soluble
19 L E 0.0000 Buried
20 S E -0.8657 Soluble
21 L E 0.0000 Buried
22 T E -0.5089 Soluble
23 C E 0.0000 Buried
24 T E -1.0464 Soluble
25 V E 0.0000 Buried
26 S E -1.4431 Soluble
27 G E -1.4674 Soluble
28 G E -1.1704 Soluble
29 S E -0.8201 Soluble
30 I E 0.0000 Buried
31 S E -0.5740 Soluble
34 S E -0.4567 Soluble
35 G E 0.0000 Buried
36 S E -0.2790 Soluble
37 Y E -0.0056 Soluble
38 Y E 0.1457 Aggregation-prone
39 W E 0.0000 Buried
40 D E 0.0000 Buried
41 W E 0.0000 Buried
42 I E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.8121 Soluble
45 P E -0.9193 Soluble
46 P E -0.9882 Soluble
47 G E -1.4661 Soluble
48 K E -2.2546 Soluble
49 G E -1.3956 Soluble
50 L E 0.0000 Buried
51 E E -0.8393 Soluble
52 W E 0.0000 Buried
53 I E 0.0000 Buried
54 G E 0.0000 Buried
55 N E 0.0000 Buried
56 I E 0.0000 Buried
57 Y E -0.0268 Soluble
58 K E -0.8415 Soluble
59 S E -0.6733 Soluble
63 G E -0.6122 Soluble
64 S E -0.2916 Soluble
65 T E 0.1122 Aggregation-prone
66 Y E 0.3067 Aggregation-prone
67 Y E -0.2039 Soluble
68 N E 0.0000 Buried
69 P E -1.0437 Soluble
70 S E -0.9697 Soluble
71 L E 0.0000 Buried
72 K E -1.6033 Soluble
74 S E -1.1317 Soluble
75 R E -1.1581 Soluble
76 V E 0.0000 Buried
77 T E -0.6459 Soluble
78 I E 0.0000 Buried
79 S E -0.3029 Soluble
80 V E -0.4453 Soluble
81 D E -1.2169 Soluble
82 T E -1.1793 Soluble
83 S E -1.2934 Soluble
84 K E -2.1074 Soluble
85 N E -1.4013 Soluble
86 Q E -1.1284 Soluble
87 F E 0.0000 Buried
88 S E -0.3826 Soluble
89 L E 0.0000 Buried
90 K E -1.0663 Soluble
91 L E 0.0000 Buried
92 S E -0.9794 Soluble
93 S E -1.0831 Soluble
94 V E 0.0000 Buried
95 T E -0.6307 Soluble
96 A E -0.2589 Soluble
97 A E 0.0127 Aggregation-prone
98 D E 0.0000 Buried
99 T E -0.0034 Soluble
100 A E 0.0000 Buried
101 V E -0.0357 Soluble
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 R E -0.3302 Soluble
107 E E 0.0000 Buried
108 R E -0.7471 Soluble
109 G E -0.1333 Soluble
110 M E 0.5699 Aggregation-prone
113 H E -0.0386 Soluble
114 Y E 0.0000 Buried
115 M E 0.0000 Buried
116 D E -0.6384 Soluble
117 V E -0.6868 Soluble
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 K E -2.4302 Soluble
121 G E 0.0000 Buried
122 T E -0.5829 Soluble
123 T E -0.3119 Soluble
124 V E 0.0000 Buried
125 T E -0.3248 Soluble
126 V E 0.0000 Buried
127 S E -0.7924 Soluble
128 S E -0.8678 Soluble
129 A E -0.6242 Soluble
130 S E -0.7932 Soluble
131 T E -1.2405 Soluble
132 K E -1.9268 Soluble
133 G E -1.9174 Soluble
134 P E 0.0000 Buried
135 S E -0.5967 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -0.8944 Soluble
139 L E 0.0000 Buried
140 A E -0.3405 Soluble
141 P E -0.1406 Soluble
142 G E -0.7849 Soluble
143 G E -0.8172 Soluble
144 T E -0.5467 Soluble
145 A E -0.2730 Soluble
146 A E 0.0000 Buried
147 L E 0.0000 Buried
148 G E 0.0000 Buried
149 C E 0.0000 Buried
150 L E 0.0000 Buried
151 V E 0.0000 Buried
152 K E -0.6142 Soluble
153 D E -0.8814 Soluble
154 Y E 0.0000 Buried
155 F E 0.0000 Buried
156 P E 0.0000 Buried
157 E E -0.5343 Soluble
158 P E -0.8098 Soluble
159 V E -0.5547 Soluble
160 T E -0.4454 Soluble
161 V E -0.2092 Soluble
162 S E -0.3866 Soluble
163 W E 0.0000 Buried
164 N E -0.7202 Soluble
165 S E -0.6213 Soluble
166 G E -0.4346 Soluble
167 A E -0.2131 Soluble
168 L E 0.0470 Aggregation-prone
169 T E -0.1652 Soluble
170 S E -0.2195 Soluble
171 G E -0.2926 Soluble
172 V E 0.1569 Aggregation-prone
173 H E -0.2375 Soluble
174 T E 0.0268 Aggregation-prone
175 F E 0.0000 Buried
176 P E -0.2225 Soluble
177 A E 0.2128 Aggregation-prone
178 V E 0.4680 Aggregation-prone
179 L E 1.1833 Aggregation-prone
180 Q E 0.0810 Aggregation-prone
181 S E -0.2106 Soluble
182 S E -0.2518 Soluble
183 G E -0.0391 Soluble
184 L E -0.0454 Soluble
185 Y E 0.2484 Aggregation-prone
186 S E 0.1614 Aggregation-prone
187 L E 0.0000 Buried
188 S E 0.0000 Buried
189 S E 0.0000 Buried
190 V E 0.0000 Buried
191 V E 0.0000 Buried
192 T E -0.1459 Soluble
193 V E 0.0000 Buried
194 P E -0.4223 Soluble
195 S E -0.5495 Soluble
196 S E -0.5929 Soluble
197 S E -0.5158 Soluble
198 L E -0.3029 Soluble
199 G E -0.6313 Soluble
200 T E -0.7102 Soluble
201 Q E -1.0606 Soluble
202 T E -0.7452 Soluble
203 Y E 0.0000 Buried
204 I E -0.9112 Soluble
205 C E 0.0000 Buried
206 N E -1.5355 Soluble
207 V E 0.0000 Buried
208 N E -2.0875 Soluble
209 H E 0.0000 Buried
210 K E -2.8060 Soluble
211 P E -1.7750 Soluble
212 S E -2.0479 Soluble
213 N E -2.7016 Soluble
214 T E -2.1823 Soluble
215 K E -2.6802 Soluble
216 V E -1.5544 Soluble
217 D E -2.5466 Soluble
218 K E -1.9487 Soluble
219 K E -2.1390 Soluble
1 D F -2.4522 Soluble
2 I F 0.0000 Buried
3 Q F -2.1435 Soluble
4 M F 0.0000 Buried
5 T F -1.3645 Soluble
6 Q F -1.1316 Soluble
7 S F -0.8418 Soluble
8 P F -0.6612 Soluble
9 S F -0.9276 Soluble
10 S F -1.0372 Soluble
11 L F -0.7123 Soluble
12 S F -0.9221 Soluble
13 A F -1.2073 Soluble
14 S F -1.3487 Soluble
15 V F -0.6682 Soluble
16 G F -1.3976 Soluble
17 D F -2.7233 Soluble
18 R F -2.7838 Soluble
19 V F 0.0000 Buried
20 T F -0.4991 Soluble
21 I F 0.0000 Buried
22 T F -0.8917 Soluble
23 C F 0.0000 Buried
24 R F -2.7151 Soluble
25 A F 0.0000 Buried
26 S F -1.8295 Soluble
27 Q F -1.9745 Soluble
28 S F -1.3255 Soluble
29 I F 0.0000 Buried
36 N F -1.2062 Soluble
37 S F -0.6871 Soluble
38 Y F 0.2640 Aggregation-prone
39 L F 0.0000 Buried
40 N 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 0.0000 Buried
45 K F -1.6439 Soluble
46 P F -1.5706 Soluble
47 G F -1.8778 Soluble
48 K F -2.6295 Soluble
49 A F -1.6696 Soluble
50 P F 0.0000 Buried
51 K F -1.2425 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.2589 Aggregation-prone
56 A F 0.0722 Aggregation-prone
57 A F 0.0000 Buried
65 S F -0.1911 Soluble
66 S F 0.1032 Aggregation-prone
67 L F 0.2835 Aggregation-prone
68 Q F -0.3140 Soluble
69 S F -0.4061 Soluble
70 G F -0.5804 Soluble
71 V F 0.0000 Buried
72 P F -0.3794 Soluble
74 S F -0.4062 Soluble
75 R F -0.6881 Soluble
76 F F 0.0000 Buried
77 S F -0.2661 Soluble
78 G F -0.2396 Soluble
79 S F -0.7597 Soluble
80 G F -1.3517 Soluble
83 S F -1.2017 Soluble
84 G F -1.5383 Soluble
85 T F -2.0237 Soluble
86 D F -2.7352 Soluble
87 F F 0.0000 Buried
88 T F -0.8951 Soluble
89 L F 0.0000 Buried
90 T F -0.5920 Soluble
91 I F 0.0000 Buried
92 S F -1.5466 Soluble
93 S F -1.5146 Soluble
94 L F 0.0000 Buried
95 Q F -0.9972 Soluble
96 P F -1.4636 Soluble
97 E F -1.6931 Soluble
98 D F 0.0000 Buried
99 F F -1.1719 Soluble
100 A F 0.0000 Buried
101 T F 0.0000 Buried
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 Q F 0.0000 Buried
107 Q F 0.0000 Buried
108 F F 0.2886 Aggregation-prone
109 D F -0.7651 Soluble
114 P F -0.7191 Soluble
115 P F 0.0000 Buried
116 F F 0.0000 Buried
117 T F -0.8121 Soluble
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 G F -1.3066 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.9860 Soluble
124 V F 0.0000 Buried
125 E F -1.3317 Soluble
126 I F 0.0000 Buried
127 K F -1.3367 Soluble
128 R F -0.8125 Soluble
129 T F 0.1428 Aggregation-prone
130 V F 0.8940 Aggregation-prone
131 A F 0.2674 Aggregation-prone
132 A F 0.0658 Aggregation-prone
133 P F 0.0000 Buried
134 S F -0.2190 Soluble
135 V F 0.0000 Buried
136 F F 0.1095 Aggregation-prone
137 I F 0.0460 Aggregation-prone
138 F F 0.0000 Buried
139 P F -0.6208 Soluble
140 P F -0.7692 Soluble
141 S F 0.0000 Buried
142 D F -2.7380 Soluble
143 E F -2.5938 Soluble
144 Q F 0.0000 Buried
145 L F -2.2769 Soluble
146 K F -2.8240 Soluble
147 S F -1.8321 Soluble
148 G F -1.2901 Soluble
149 T F -0.9685 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.8161 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.4458 Soluble
162 R F -2.5955 Soluble
163 E F -3.0633 Soluble
164 A F -2.2472 Soluble
165 K F -2.3686 Soluble
166 V F -0.9882 Soluble
167 Q F -0.5755 Soluble
168 W F 0.0000 Buried
169 K F -0.5233 Soluble
170 V F 0.0000 Buried
171 D F -1.5065 Soluble
172 N F -1.3290 Soluble
173 A F -0.2273 Soluble
174 L F 0.6881 Aggregation-prone
175 Q F -0.2929 Soluble
176 S F -0.7256 Soluble
177 G F -1.3877 Soluble
178 N F -1.7986 Soluble
179 S F -1.6447 Soluble
180 Q F -1.7698 Soluble
181 E F -2.0273 Soluble
182 S F -1.0457 Soluble
183 V F -0.7429 Soluble
184 T F 0.0000 Buried
185 E F -1.7224 Soluble
186 Q F 0.0000 Buried
187 D F -1.7349 Soluble
188 S F -2.0234 Soluble
189 K F -2.5074 Soluble
190 D F -1.8722 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.8698 Soluble
199 L F 0.0000 Buried
200 T F -0.7631 Soluble
201 L F -0.9138 Soluble
202 S F -1.4023 Soluble
203 K F -2.4174 Soluble
204 A F -2.0868 Soluble
205 D F -2.7543 Soluble
206 Y F 0.0000 Buried
207 E F -3.5695 Soluble
208 K F -3.4841 Soluble
209 H F -2.5626 Soluble
210 K F -2.3759 Soluble
211 V F -0.7312 Soluble
212 Y F 0.0000 Buried
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.6400 Soluble
216 V F 0.0000 Buried
217 T F -1.1461 Soluble
218 H F 0.0000 Buried
219 Q F -1.5944 Soluble
220 G F -0.2002 Soluble
221 L F -0.0376 Soluble
222 S F -0.4049 Soluble
223 S F -0.3433 Soluble
224 P F -0.4928 Soluble
225 V F 0.0305 Aggregation-prone
226 T F -0.4940 Soluble
227 K F -0.8134 Soluble
228 S F -0.5336 Soluble
229 F F -0.6612 Soluble
230 N F -1.6239 Soluble
231 R F -1.6227 Soluble
232 G F -1.0727 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 -0.7357 2.4421 CSV PDB
4.5 -0.7683 2.4421 CSV PDB
5.0 -0.8061 2.4421 CSV PDB
5.5 -0.8401 2.4421 CSV PDB
6.0 -0.8598 2.4421 CSV PDB
6.5 -0.8572 2.4421 CSV PDB
7.0 -0.8331 2.4421 CSV PDB
7.5 -0.7948 2.4421 CSV PDB
8.0 -0.7488 2.4421 CSV PDB
8.5 -0.6975 2.4421 CSV PDB
9.0 -0.6411 2.4421 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH