Berlimatoxumab / 5k59

A4DAB042_5k59_H_L | Source PDB: 5k59 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6908
Max Score
1.4111
Min Score
-3.6215
Total Score
-292.89
Score CDR
-0.4012
Score non-CDR
-0.726

Calculation Parameters

Chain Sequence(s) ELQLQESGPGLVKPSETLSLTCTVSGGSISSGSYYWDWIRQPPGKGLEWIGNIYKSGSTYYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARERGMHYMDVWGKGTTVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSINSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQQFDPPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.6215
Maximum Score 1.4111
Average Score -0.6908
Total Score -292.8935

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

Index Residue Chain A4D Score Classification
1 E H -2.1592 Soluble
2 L H -1.4632 Soluble
3 Q H -1.8792 Soluble
4 L H 0.0000 Buried
5 Q H -1.5494 Soluble
6 E H 0.0000 Buried
7 S H -0.6508 Soluble
8 G H -0.6485 Soluble
9 P H -0.6225 Soluble
11 G H -0.4977 Soluble
12 L H -0.3292 Soluble
13 V H 0.0000 Buried
14 K H -2.2815 Soluble
15 P H -1.6034 Soluble
16 S H -1.6675 Soluble
17 E H -2.5603 Soluble
18 T H -1.6208 Soluble
19 L H 0.0000 Buried
20 S H -0.8831 Soluble
21 L H 0.0000 Buried
22 T H -0.5119 Soluble
23 C H 0.0000 Buried
24 T H -1.0276 Soluble
25 V H 0.0000 Buried
26 S H -1.4496 Soluble
27 G H -1.4752 Soluble
28 G H -1.1737 Soluble
29 S H -0.8765 Soluble
30 I H 0.0000 Buried
31 S H -0.7210 Soluble
34 S H -0.7272 Soluble
35 G H -0.7222 Soluble
36 S H -0.5688 Soluble
37 Y H -0.1981 Soluble
38 Y H 0.0207 Aggregation-prone
39 W H 0.0000 Buried
40 D H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.8200 Soluble
45 P H -0.9041 Soluble
46 P H -0.9529 Soluble
47 G H -1.4425 Soluble
48 K H -2.2708 Soluble
49 G H -1.4520 Soluble
50 L H 0.0000 Buried
51 E H -0.7892 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 N H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -0.1878 Soluble
58 K H -1.1715 Soluble
59 S H -0.7892 Soluble
63 G H -0.6904 Soluble
64 S H -0.3464 Soluble
65 T H 0.0726 Aggregation-prone
66 Y H 0.2331 Aggregation-prone
67 Y H -0.2678 Soluble
68 N H 0.0000 Buried
69 P H -1.0643 Soluble
70 S H -0.8142 Soluble
71 L H 0.0000 Buried
72 K H -1.8881 Soluble
74 S H -1.2672 Soluble
75 R H -1.2328 Soluble
76 V H 0.0000 Buried
77 T H -0.6887 Soluble
78 I H 0.0000 Buried
79 S H -0.3259 Soluble
80 V H -0.4836 Soluble
81 D H -1.2381 Soluble
82 T H -1.2202 Soluble
83 S H -1.2855 Soluble
84 K H -2.1016 Soluble
85 N H -1.3939 Soluble
86 Q H -1.1083 Soluble
87 F H 0.0000 Buried
88 S H -0.3764 Soluble
89 L H 0.0000 Buried
90 K H -1.0378 Soluble
91 L H 0.0000 Buried
92 S H -1.0857 Soluble
93 S H -1.2016 Soluble
94 V H 0.0000 Buried
95 T H -0.6535 Soluble
96 A H -0.2240 Soluble
97 A H 0.0230 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0145 Aggregation-prone
100 A H 0.0000 Buried
101 V H -0.0164 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.3214 Soluble
107 E H 0.0000 Buried
108 R H -0.7057 Soluble
109 G H -0.0941 Soluble
110 M H 0.6016 Aggregation-prone
113 H H -0.0422 Soluble
114 Y H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.6486 Soluble
117 V H -0.7124 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 K H -2.4597 Soluble
121 G H 0.0000 Buried
122 T H -0.5554 Soluble
123 T H -0.1173 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.7190 Soluble
128 S H -0.8023 Soluble
129 A H -0.6224 Soluble
130 S H -0.8156 Soluble
131 T H -1.2798 Soluble
132 K H -1.9363 Soluble
133 G H -1.9191 Soluble
134 P H 0.0000 Buried
135 S H -0.5766 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0839 Soluble
139 L H 0.0000 Buried
140 A H -0.8774 Soluble
141 P H -0.5689 Soluble
142 G H -0.6235 Soluble
143 T H -0.4769 Soluble
144 A H -0.2285 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 -0.4620 Soluble
152 D H -0.8939 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.4937 Soluble
157 P H -0.7436 Soluble
158 V H -0.4910 Soluble
159 T H -0.3687 Soluble
160 V H -0.1623 Soluble
161 S H -0.4129 Soluble
162 W H 0.0000 Buried
163 N H -0.8636 Soluble
164 S H -0.6890 Soluble
165 G H -0.4649 Soluble
166 A H -0.2178 Soluble
167 L H -0.0054 Soluble
168 T H -0.1746 Soluble
169 S H -0.2342 Soluble
170 G H -0.3248 Soluble
171 V H 0.1343 Aggregation-prone
172 H H -0.2657 Soluble
173 T H 0.0129 Aggregation-prone
174 F H 0.0000 Buried
175 P H -0.2311 Soluble
176 A H 0.2556 Aggregation-prone
177 V H 0.6259 Aggregation-prone
178 L H 1.4111 Aggregation-prone
179 Q H 0.2345 Aggregation-prone
180 S H -0.1665 Soluble
181 S H -0.2537 Soluble
182 G H -0.0413 Soluble
183 L H -0.0751 Soluble
184 Y H 0.2867 Aggregation-prone
185 S H 0.2009 Aggregation-prone
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 -0.1805 Soluble
192 V H 0.0000 Buried
193 P H -0.4055 Soluble
194 S H -0.5196 Soluble
195 S H -0.6010 Soluble
196 S H -0.5997 Soluble
197 L H -0.6739 Soluble
198 G H -0.9192 Soluble
199 T H -0.8288 Soluble
200 Q H -1.2799 Soluble
201 T H -1.2275 Soluble
202 Y H 0.0000 Buried
203 I H -1.4018 Soluble
204 C H 0.0000 Buried
205 N H -1.5787 Soluble
206 V H 0.0000 Buried
207 N H -1.9025 Soluble
208 H H 0.0000 Buried
209 K H -2.7568 Soluble
210 P H -1.7580 Soluble
211 S H -2.0435 Soluble
212 N H -2.6732 Soluble
213 T H -2.3164 Soluble
214 K H -2.6190 Soluble
215 V H -1.7173 Soluble
216 D H -2.6135 Soluble
217 K H -1.9689 Soluble
218 K H -2.5156 Soluble
219 V H -1.8252 Soluble
220 E H -2.2008 Soluble
221 P H -1.1473 Soluble
1 D L -2.4238 Soluble
2 I L 0.0000 Buried
3 Q L -2.1234 Soluble
4 M L 0.0000 Buried
5 T L -1.2903 Soluble
6 Q L 0.0000 Buried
7 S L -0.8067 Soluble
8 P L -0.6548 Soluble
9 S L -0.9165 Soluble
10 S L -1.0525 Soluble
11 L L -0.7271 Soluble
12 S L -0.9232 Soluble
13 A L -1.1927 Soluble
14 S L -1.3267 Soluble
15 V L -0.6456 Soluble
16 G L -1.3872 Soluble
17 D L -2.7186 Soluble
18 R L -2.8220 Soluble
19 V L 0.0000 Buried
20 T L -0.5041 Soluble
21 I L 0.0000 Buried
22 T L -0.8259 Soluble
23 C L 0.0000 Buried
24 R L -2.5859 Soluble
25 A L 0.0000 Buried
26 S L -1.8021 Soluble
27 Q L -1.8679 Soluble
28 S L -1.2749 Soluble
29 I L 0.0000 Buried
36 N L -1.1260 Soluble
37 S L -0.6887 Soluble
38 Y L 0.2602 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 0.0000 Buried
45 K L -1.7441 Soluble
46 P L -1.5474 Soluble
47 G L -1.9105 Soluble
48 K L -2.7173 Soluble
49 A L -1.7857 Soluble
50 P L 0.0000 Buried
51 K L -1.4788 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.2125 Aggregation-prone
56 A L 0.0487 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.2108 Soluble
66 S L 0.0768 Aggregation-prone
67 L L 0.2643 Aggregation-prone
68 Q L -0.3122 Soluble
69 S L -0.4400 Soluble
70 G L -0.5756 Soluble
71 V L 0.0000 Buried
72 P L -0.3943 Soluble
74 S L -0.4326 Soluble
75 R L -0.6950 Soluble
76 F L 0.0000 Buried
77 S L -0.2775 Soluble
78 G L -0.2575 Soluble
79 S L -0.7420 Soluble
80 G L -1.2886 Soluble
83 S L -1.1409 Soluble
84 G L -1.4654 Soluble
85 T L -1.9335 Soluble
86 D L -2.5564 Soluble
87 F L 0.0000 Buried
88 T L -0.8452 Soluble
89 L L 0.0000 Buried
90 T L -0.5938 Soluble
91 I L 0.0000 Buried
92 S L -1.5531 Soluble
93 S L -1.5130 Soluble
94 L L 0.0000 Buried
95 Q L -1.1832 Soluble
96 P L -1.5090 Soluble
97 E L -1.7506 Soluble
98 D L 0.0000 Buried
99 F L -1.2039 Soluble
100 A L 0.0000 Buried
101 T L -0.9813 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Q L 0.0000 Buried
108 F L 0.2149 Aggregation-prone
109 D L -0.7881 Soluble
114 P L -0.7343 Soluble
115 P L 0.0000 Buried
116 F L 0.0000 Buried
117 T L -0.8123 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.2263 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9993 Soluble
124 V L 0.0000 Buried
125 E L -1.3429 Soluble
126 I L 0.0000 Buried
127 K L -1.2957 Soluble
128 R L -0.7913 Soluble
129 T L 0.2252 Aggregation-prone
130 V L 1.0174 Aggregation-prone
131 A L 0.2931 Aggregation-prone
132 A L 0.0955 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1542 Soluble
135 V L 0.0000 Buried
136 F L 0.0812 Aggregation-prone
137 I L 0.0369 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6592 Soluble
140 P L -0.7834 Soluble
141 S L -1.4092 Soluble
142 D L -2.6586 Soluble
143 E L -2.4272 Soluble
144 Q L 0.0000 Buried
145 L L -2.2122 Soluble
146 K L -2.7566 Soluble
147 S L -1.7796 Soluble
148 G L -1.2638 Soluble
149 T L -0.9059 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 0.0000 Buried
158 N L -0.9512 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6107 Soluble
162 R L -3.0359 Soluble
163 E L -3.2790 Soluble
164 A L -2.3632 Soluble
165 K L -2.4085 Soluble
166 V L -0.9768 Soluble
167 Q L -0.5844 Soluble
168 W L 0.0000 Buried
169 K L -0.6662 Soluble
170 V L 0.0000 Buried
171 D L -1.7271 Soluble
172 N L -1.3874 Soluble
173 A L -0.2750 Soluble
174 L L 0.6675 Aggregation-prone
175 Q L -0.3329 Soluble
176 S L -0.7011 Soluble
177 G L -1.3350 Soluble
178 N L -1.7172 Soluble
179 S L -1.4822 Soluble
180 Q L -1.3971 Soluble
181 E L -1.8481 Soluble
182 S L -0.9691 Soluble
183 V L -0.8335 Soluble
184 T L 0.0000 Buried
185 E L -1.9041 Soluble
186 Q L 0.0000 Buried
187 D L -1.8918 Soluble
188 S L -2.1282 Soluble
189 K L -2.6246 Soluble
190 D L -2.0964 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 -0.7470 Soluble
199 L L 0.0000 Buried
200 T L -0.6468 Soluble
201 L L -0.7742 Soluble
202 S L -1.2397 Soluble
203 K L -2.3058 Soluble
204 A L -1.8920 Soluble
205 D L -2.4044 Soluble
206 Y L 0.0000 Buried
207 E L -3.6215 Soluble
208 K L -3.4644 Soluble
209 H L -2.8937 Soluble
210 K L -3.2330 Soluble
211 V L -1.5635 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6482 Soluble
216 V L 0.0000 Buried
217 T L -1.1414 Soluble
218 H L 0.0000 Buried
219 Q L -1.6162 Soluble
220 G L -0.1579 Soluble
221 L L -0.0193 Soluble
222 S L -0.4032 Soluble
223 S L -0.3395 Soluble
224 P L -0.4818 Soluble
225 V L 0.0560 Aggregation-prone
226 T L -0.5060 Soluble
227 K L -0.8150 Soluble
228 S L -0.7042 Soluble
229 F L -0.9424 Soluble
230 N L -2.1421 Soluble
231 R L -2.1783 Soluble
232 G L -1.2796 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 -0.7888 2.1884 CSV PDB
4.5 -0.8248 2.1239 CSV PDB
5.0 -0.867 2.0362 CSV PDB
5.5 -0.9053 1.9401 CSV PDB
6.0 -0.9281 1.8503 CSV PDB
6.5 -0.926 1.7818 CSV PDB
7.0 -0.8994 1.7428 CSV PDB
7.5 -0.8569 1.7261 CSV PDB
8.0 -0.8061 1.7202 CSV PDB
8.5 -0.7499 1.7182 CSV PDB
9.0 -0.6885 1.7176 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH