Lebrikizumab / 4i77

A4DAB153_4i77_H_L | Source PDB: 4i77 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7039
Max Score
2.1879
Min Score
-3.6269
Total Score
-307.59
Score CDR
-0.4865
Score non-CDR
-0.7313

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTVSGFSLSAYSVNWIRQPPGKALEWLAMIWGDGKIVYNSALKSRLTISKDTSKNQVVLTMTNMDPVDTATYYCAGDGYYPYAMDNWGQGSLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKDIVMTQSPDSLSVSLGERATINCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6269
Maximum Score 2.1879
Average Score -0.7039
Total Score -307.5906

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

Index Residue Chain A4D Score Classification
1 Q H -1.0476 Soluble
2 V H -0.2098 Soluble
3 T H -0.6354 Soluble
4 L H 0.0000 Buried
5 R H -2.0217 Soluble
6 E H -1.3040 Soluble
7 S H -0.7298 Soluble
8 G H -0.2498 Soluble
9 P H -0.1117 Soluble
11 A H -0.2676 Soluble
12 L H -0.2294 Soluble
13 V H 0.0000 Buried
14 K H -2.4988 Soluble
15 P H -1.8204 Soluble
16 T H -2.0137 Soluble
17 Q H -2.3344 Soluble
18 T H -1.4324 Soluble
19 L H 0.0000 Buried
20 T H -0.1808 Soluble
21 L H 0.0000 Buried
22 T H -0.3956 Soluble
23 C H 0.0000 Buried
24 T H -1.1618 Soluble
25 V H 0.0000 Buried
26 S H -0.7086 Soluble
27 G H -0.4726 Soluble
28 F H 0.1029 Aggregation-prone
29 S H -0.1521 Soluble
30 L H 0.0000 Buried
35 S H -0.9157 Soluble
36 A H -0.4434 Soluble
37 Y H 0.0000 Buried
38 S H 0.0000 Buried
39 V H 0.0000 Buried
40 N 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 -0.8741 Soluble
45 P H -0.6586 Soluble
46 P H -1.0348 Soluble
47 G H -1.4404 Soluble
48 K H -2.1944 Soluble
49 A H -1.2112 Soluble
50 L H 0.0000 Buried
51 E H -0.7956 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 A H 0.0000 Buried
55 M H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.8875 Soluble
58 G H -1.2506 Soluble
59 D H -2.2582 Soluble
63 G H -1.7062 Soluble
64 K H -1.6816 Soluble
65 I H 0.1446 Aggregation-prone
66 V H -0.2269 Soluble
67 Y H -0.4280 Soluble
68 N H -1.1538 Soluble
69 S H -1.2306 Soluble
70 A H -0.5412 Soluble
71 L H -0.8704 Soluble
72 K H -1.8355 Soluble
74 S H -1.1660 Soluble
75 R H -1.2067 Soluble
76 L H 0.0000 Buried
77 T H -0.2024 Soluble
78 I H 0.0000 Buried
79 S H -0.3219 Soluble
80 K H -1.3364 Soluble
81 D H -2.1966 Soluble
82 T H -1.6366 Soluble
83 S H -1.6657 Soluble
84 K H -2.4374 Soluble
85 N H -1.7301 Soluble
86 Q H -1.5588 Soluble
87 V H 0.0000 Buried
88 V H -0.0076 Soluble
89 L H 0.0000 Buried
90 T H -0.0390 Soluble
91 M H 0.0000 Buried
92 T H -1.2528 Soluble
93 N H -2.2560 Soluble
94 M H 0.0000 Buried
95 D H -1.3921 Soluble
96 P H -0.2026 Soluble
97 V H 1.2812 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.2697 Aggregation-prone
100 A H 0.0000 Buried
101 T H -0.1997 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 G H 0.0000 Buried
107 D H 0.0000 Buried
108 G H 0.6018 Aggregation-prone
109 Y H 1.9118 Aggregation-prone
110 Y H 2.1879 Aggregation-prone
112 P H 0.0000 Buried
113 Y H 1.2729 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -1.3843 Soluble
117 N H -0.9073 Soluble
118 W H -1.1320 Soluble
119 G H 0.0000 Buried
120 Q H -1.8663 Soluble
121 G H -1.2155 Soluble
122 S H -0.6146 Soluble
123 L H -0.1044 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.9641 Soluble
128 S H -0.8812 Soluble
129 A H -0.5381 Soluble
130 S H -0.6587 Soluble
131 T H -0.7160 Soluble
132 K H -1.1815 Soluble
133 G H -1.3781 Soluble
134 P H -0.5733 Soluble
135 S H -0.3064 Soluble
136 V H -0.3004 Soluble
137 F H 0.0000 Buried
138 P H -1.0444 Soluble
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.0000 Buried
142 C H -0.8537 Soluble
143 S H -0.8592 Soluble
144 R H -1.0065 Soluble
145 S H -0.8945 Soluble
146 T H -0.6820 Soluble
147 S H -0.8302 Soluble
148 E H -1.2612 Soluble
149 S H -0.8902 Soluble
150 T H -0.6564 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3240 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3457 Soluble
164 P H -0.6456 Soluble
165 V H 0.0000 Buried
166 T H -0.6706 Soluble
167 V H -0.2416 Soluble
168 S H -0.4865 Soluble
169 W H 0.0000 Buried
170 N H -1.0125 Soluble
171 S H -0.8022 Soluble
172 G H -0.6019 Soluble
173 A H -0.2783 Soluble
174 L H -0.1192 Soluble
175 T H -0.2124 Soluble
176 S H -0.2206 Soluble
177 G H -0.3416 Soluble
178 V H 0.1275 Aggregation-prone
179 H H -0.3094 Soluble
180 T H -0.0181 Soluble
181 F H 0.0000 Buried
182 P H -0.3780 Soluble
183 A H 0.2114 Aggregation-prone
184 V H 0.6081 Aggregation-prone
185 L H 1.2662 Aggregation-prone
186 Q H 0.3895 Aggregation-prone
187 S H -0.0295 Soluble
188 S H -0.1738 Soluble
189 G H 0.1002 Aggregation-prone
190 L H 0.2347 Aggregation-prone
191 Y H 0.5203 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1351 Soluble
199 V H 0.0000 Buried
200 P H -0.5041 Soluble
201 S H -0.6502 Soluble
202 S H -0.6502 Soluble
203 S H -0.7382 Soluble
204 L H -0.8212 Soluble
205 G H -1.1476 Soluble
206 T H -1.0181 Soluble
207 K H -1.7708 Soluble
208 T H -1.6377 Soluble
209 Y H 0.0000 Buried
210 T H -1.9684 Soluble
211 C H 0.0000 Buried
212 N H -1.6408 Soluble
213 V H 0.0000 Buried
214 D H -2.0481 Soluble
215 H H 0.0000 Buried
216 K H -2.7498 Soluble
217 P H -1.5361 Soluble
218 S H -1.8043 Soluble
219 N H -2.6030 Soluble
220 T H -2.0957 Soluble
221 K H -2.7389 Soluble
222 V H -1.4968 Soluble
223 D H -2.6675 Soluble
224 K H -2.1687 Soluble
225 R H -2.8693 Soluble
226 V H 0.0000 Buried
227 E H -2.7579 Soluble
228 S H -1.8330 Soluble
229 K H -2.5691 Soluble
1 D L -2.3843 Soluble
2 I L 0.0000 Buried
3 V L 0.6579 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.8525 Soluble
6 Q L 0.0000 Buried
7 S L -1.5720 Soluble
8 P L -1.4216 Soluble
9 D L -2.2054 Soluble
10 S L -1.1867 Soluble
11 L L -0.6630 Soluble
12 S L -0.4670 Soluble
13 V L -0.9368 Soluble
14 S L -0.9039 Soluble
15 L L 0.0801 Aggregation-prone
16 G L -0.9466 Soluble
17 E L -2.3154 Soluble
18 R L -2.5830 Soluble
19 A L 0.0000 Buried
20 T L -0.7374 Soluble
21 I L 0.0000 Buried
22 N L -1.9257 Soluble
23 C L 0.0000 Buried
24 R L -2.4041 Soluble
25 A L 0.0000 Buried
26 S L -1.1921 Soluble
27 K L -2.3452 Soluble
28 S L -1.8848 Soluble
29 V L 0.0000 Buried
30 D L -1.2337 Soluble
31 S L -0.3704 Soluble
34 Y L 0.6993 Aggregation-prone
35 G L -0.4288 Soluble
36 N L -0.8371 Soluble
37 S L -0.6921 Soluble
38 F L 0.0000 Buried
39 M L 0.0000 Buried
40 H 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 -1.6197 Soluble
46 P L -1.3463 Soluble
47 G L -1.4991 Soluble
48 Q L -1.8558 Soluble
49 P L -1.4409 Soluble
50 P L 0.0000 Buried
51 K L -1.9004 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.2069 Aggregation-prone
56 L L 0.1654 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.5749 Soluble
66 N L -0.6708 Soluble
67 L L -0.4140 Soluble
68 E L -0.9931 Soluble
69 S L -0.7590 Soluble
70 G L -0.8337 Soluble
71 V L 0.0000 Buried
72 P L -1.1945 Soluble
74 D L -2.0559 Soluble
75 R L -1.5894 Soluble
76 F L 0.0000 Buried
77 S L -0.7949 Soluble
78 G L -0.5064 Soluble
79 S L -0.9228 Soluble
80 G L -1.3099 Soluble
83 S L -1.3347 Soluble
84 G L -1.5389 Soluble
85 T L -1.8726 Soluble
86 D L -2.3179 Soluble
87 F L 0.0000 Buried
88 T L -1.1622 Soluble
89 L L 0.0000 Buried
90 T L -0.7302 Soluble
91 I L 0.0000 Buried
92 S L -1.7250 Soluble
93 S L -1.3801 Soluble
94 L L 0.0000 Buried
95 Q L -1.2812 Soluble
96 A L -1.6397 Soluble
97 E L -2.3254 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.3135 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 N L -1.2749 Soluble
108 N L -2.0452 Soluble
109 E L -3.4980 Soluble
114 D L -3.1092 Soluble
115 P L 0.0000 Buried
116 R L 0.0000 Buried
117 T L -0.5697 Soluble
118 F L 0.2261 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.8926 Soluble
121 G L -1.0432 Soluble
122 T L 0.0000 Buried
123 K L -0.7772 Soluble
124 V L 0.0000 Buried
125 E L -0.9624 Soluble
126 I L 0.0000 Buried
127 K L -1.1831 Soluble
128 R L -0.6252 Soluble
129 T L 0.1179 Aggregation-prone
130 V L 0.7318 Aggregation-prone
131 A L 0.1203 Aggregation-prone
132 A L -0.0528 Soluble
133 P L 0.0000 Buried
134 S L -0.2169 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L 0.0000 Buried
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -2.9378 Soluble
143 E L -2.5847 Soluble
144 Q L 0.0000 Buried
145 L L -2.1293 Soluble
146 K L -2.6980 Soluble
147 S L -1.6498 Soluble
148 G L -1.1547 Soluble
149 T L -0.9672 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 -0.9788 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6665 Soluble
162 R L -3.0161 Soluble
163 E L -3.2198 Soluble
164 A L -2.2835 Soluble
165 K L -2.2615 Soluble
166 V L -1.0020 Soluble
167 Q L -0.4423 Soluble
168 W L 0.0000 Buried
169 K L -0.4949 Soluble
170 V L 0.0000 Buried
171 D L -1.8766 Soluble
172 N L -1.4913 Soluble
173 A L -0.2325 Soluble
174 L L 0.7840 Aggregation-prone
175 Q L -0.2326 Soluble
176 S L -0.6518 Soluble
177 G L -1.2237 Soluble
178 N L -1.5271 Soluble
179 S L -1.3158 Soluble
180 Q L -1.1775 Soluble
181 E L -1.6273 Soluble
182 S L -0.7131 Soluble
183 V L -0.7813 Soluble
184 T L -1.0729 Soluble
185 E L -2.0616 Soluble
186 Q L 0.0000 Buried
187 D L -2.1854 Soluble
188 S L -2.4151 Soluble
189 K L -2.7032 Soluble
190 D L -2.0295 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 -0.6324 Soluble
199 L L 0.0000 Buried
200 T L -0.6314 Soluble
201 L L -0.8927 Soluble
202 S L -1.0857 Soluble
203 K L -2.0581 Soluble
204 A L -1.9311 Soluble
205 D L -2.7105 Soluble
206 Y L 0.0000 Buried
207 E L -3.4707 Soluble
208 K L -3.6269 Soluble
209 H L -2.9043 Soluble
210 K L -2.8777 Soluble
211 V L -1.1452 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7618 Soluble
216 V L 0.0000 Buried
217 T L -1.1563 Soluble
218 H L 0.0000 Buried
219 Q L -1.6581 Soluble
220 G L -0.3059 Soluble
221 L L -0.1994 Soluble
222 S L -0.4792 Soluble
223 S L -0.4207 Soluble
224 P L -0.5193 Soluble
225 V L 0.0570 Aggregation-prone
226 T L -0.4102 Soluble
227 K L -0.6793 Soluble
228 S L -0.4753 Soluble
229 F L 0.0000 Buried
230 N L -1.3496 Soluble
231 R L -2.2163 Soluble
232 G L -1.8581 Soluble
233 E L -2.2534 Soluble
234 C L -0.5526 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 -0.7354 2.4395 CSV PDB
4.5 -0.7874 2.3644 CSV PDB
5.0 -0.8471 2.3494 CSV PDB
5.5 -0.9038 2.3494 CSV PDB
6.0 -0.9458 2.3494 CSV PDB
6.5 -0.9647 2.3494 CSV PDB
7.0 -0.9602 2.3493 CSV PDB
7.5 -0.9401 2.349 CSV PDB
8.0 -0.9109 2.348 CSV PDB
8.5 -0.8737 2.3449 CSV PDB
9.0 -0.8277 2.3353 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH