Adalimumab / 8xj0

A4DAB005_8xj0_H_G | Source PDB: 8xj0 | Chains: H, G | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.6086
Max Score
1.8331
Min Score
-3.2836
Total Score
-238.56
Score CDR
-0.5094
Score non-CDR
-0.6224

Calculation Parameters

Chain Sequence(s) EVQLVESGGCLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKCSNTKVDKKVIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKCGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWQESVTCQDSKDSTYSLSSTLCEVTHQGLSSPVT input.pdb
Selected Chain(s) H (Heavy), G (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 -3.2836
Maximum Score 1.8331
Average Score -0.6086
Total Score -238.5634

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

Index Residue Chain A4D Score Classification
1 E H -2.1008 Soluble
2 V H -1.1550 Soluble
3 Q H -1.4850 Soluble
4 L H 0.0000 Buried
5 V H 0.1362 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5213 Soluble
8 G H -0.7942 Soluble
9 G H -0.2526 Soluble
11 C H 0.1196 Aggregation-prone
12 L H 0.1995 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.6123 Soluble
15 P H -2.0426 Soluble
16 G H -2.1561 Soluble
17 R H -2.7213 Soluble
18 S H -2.1266 Soluble
19 L H -1.5209 Soluble
20 R H -2.2007 Soluble
21 L H 0.0000 Buried
22 S H -0.5786 Soluble
23 C H 0.0000 Buried
24 A H -0.4669 Soluble
25 A H 0.0000 Buried
26 S H -0.9757 Soluble
27 G H -1.2548 Soluble
28 F H -0.8127 Soluble
29 T H -0.8645 Soluble
30 F H 0.0000 Buried
35 D H -2.6671 Soluble
36 D H -1.1789 Soluble
37 Y H -0.0310 Soluble
38 A H 0.0000 Buried
39 M H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7689 Soluble
45 A H -1.2361 Soluble
46 P H -1.1206 Soluble
47 G H -1.4868 Soluble
48 K H -2.3992 Soluble
49 G H -1.7353 Soluble
50 L H 0.0000 Buried
51 E H -1.2041 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 T H 0.0000 Buried
58 W H -0.8687 Soluble
59 N H -1.9033 Soluble
62 S H -1.0715 Soluble
63 G H -1.1492 Soluble
64 H H -1.1486 Soluble
65 I H -0.1801 Soluble
66 D H -1.2945 Soluble
67 Y H -1.2680 Soluble
68 A H 0.0000 Buried
69 D H -2.6759 Soluble
70 S H -1.6120 Soluble
71 V H 0.0000 Buried
72 E H -2.8657 Soluble
74 G H -1.8461 Soluble
75 R H -1.4354 Soluble
76 F H 0.0000 Buried
77 T H -0.8619 Soluble
78 I H 0.0000 Buried
79 S H -0.3546 Soluble
80 R H -1.1675 Soluble
81 D H -1.7373 Soluble
82 N H -2.1366 Soluble
83 A H -1.5735 Soluble
84 K H -2.4147 Soluble
85 N H -2.0897 Soluble
86 S H -1.2791 Soluble
87 L H 0.0000 Buried
88 Y H -0.6105 Soluble
89 L H 0.0000 Buried
90 Q H -1.4347 Soluble
91 M H 0.0000 Buried
92 N H -1.9316 Soluble
93 S H -1.7878 Soluble
94 L H 0.0000 Buried
95 R H -2.6435 Soluble
96 A H -1.7516 Soluble
97 E H -2.3092 Soluble
98 D H 0.0000 Buried
99 T H -0.7929 Soluble
100 A H 0.0000 Buried
101 V H 0.2849 Aggregation-prone
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 K H 0.0000 Buried
107 V H 0.0000 Buried
108 S H 0.9052 Aggregation-prone
109 Y H 1.6493 Aggregation-prone
110 L H 1.8331 Aggregation-prone
111 S H 0.9115 Aggregation-prone
112A T H -0.0370 Soluble
112 A H -0.2879 Soluble
113 S H 0.0000 Buried
114 S H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.0499 Soluble
117 Y H 0.1108 Aggregation-prone
118 W H -0.3791 Soluble
119 G H 0.0000 Buried
120 Q H -1.4480 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H 0.3335 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.8007 Soluble
128 S H -0.6801 Soluble
129 A H -0.4322 Soluble
130 S H -0.6442 Soluble
131 T H -0.8673 Soluble
132 K H -1.9684 Soluble
133 G H -1.7981 Soluble
134 P H -0.9570 Soluble
135 S H -0.7277 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.7026 Soluble
139 L H 0.0000 Buried
140 A H -0.1072 Soluble
141 P H -0.0214 Soluble
142 G H -0.6078 Soluble
143 T H -0.5122 Soluble
144 A H -0.1903 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 -0.4660 Soluble
152 D H -0.7948 Soluble
153 Y H 0.0000 Buried
154 F H -0.4267 Soluble
155 P H 0.0000 Buried
156 E H -0.1606 Soluble
157 P H -0.3893 Soluble
158 V H -0.3254 Soluble
159 T H -0.5257 Soluble
160 V H -0.2545 Soluble
161 S H -0.4369 Soluble
162 W H 0.0000 Buried
163 N H -0.6762 Soluble
164 S H -0.6167 Soluble
165 G H -0.3767 Soluble
166 A H -0.1122 Soluble
167 L H 0.0517 Aggregation-prone
168 T H -0.1486 Soluble
169 S H -0.1836 Soluble
170 G H -0.2111 Soluble
171 V H 0.1200 Aggregation-prone
172 H H -0.0294 Soluble
173 T H -0.0358 Soluble
174 F H 0.0000 Buried
175 P H -0.0014 Soluble
176 A H 0.2180 Aggregation-prone
177 V H 0.2869 Aggregation-prone
178 L H 1.0857 Aggregation-prone
179 Q H 0.0307 Aggregation-prone
180 S H -0.2949 Soluble
181 S H -0.3152 Soluble
182 G H -0.0279 Soluble
183 L H -0.0666 Soluble
184 Y H 0.2959 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H -0.0670 Soluble
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1307 Soluble
192 V H 0.0000 Buried
193 P H -0.4128 Soluble
194 S H -0.4831 Soluble
195 S H -0.4769 Soluble
196 S H -0.3932 Soluble
197 L H 0.0713 Aggregation-prone
198 G H -0.5080 Soluble
199 T H -0.5985 Soluble
200 Q H -0.9159 Soluble
201 T H -0.5568 Soluble
202 Y H 0.0000 Buried
203 I H -0.8796 Soluble
204 C H 0.0000 Buried
205 N H -1.5539 Soluble
206 V H 0.0000 Buried
207 N H -1.8733 Soluble
208 H H 0.0000 Buried
209 K H -2.5276 Soluble
210 C H -1.2942 Soluble
211 S H -1.8807 Soluble
212 N H -2.5553 Soluble
213 T H -2.1627 Soluble
214 K H -2.7006 Soluble
215 V H -1.5240 Soluble
216 D H -2.5664 Soluble
217 K H -1.7018 Soluble
218 K H -1.7541 Soluble
219 V H 0.0261 Aggregation-prone
2 I G 1.1343 Aggregation-prone
3 Q G -0.7519 Soluble
4 M G 0.0000 Buried
5 T G -1.2734 Soluble
6 Q G 0.0000 Buried
7 S G -0.5887 Soluble
8 P G -0.6740 Soluble
9 S G -1.0178 Soluble
10 S G -1.0254 Soluble
11 L G -0.7636 Soluble
12 S G -1.0639 Soluble
13 A G -1.1961 Soluble
14 S G -1.1024 Soluble
15 V G -0.4431 Soluble
16 G G -0.8050 Soluble
17 D G -1.8002 Soluble
18 R G -2.2603 Soluble
19 V G 0.0000 Buried
20 T G -0.6075 Soluble
21 I G 0.0000 Buried
22 T G -0.7974 Soluble
23 C G 0.0000 Buried
24 R G -2.4320 Soluble
25 A G 0.0000 Buried
26 S G -1.0506 Soluble
27 Q G -1.8378 Soluble
28 G G -2.1610 Soluble
29 I G 0.0000 Buried
36 R G -2.7138 Soluble
37 N G -1.7924 Soluble
38 Y G -0.9105 Soluble
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.2296 Soluble
46 C G -0.2192 Soluble
47 G G -1.1328 Soluble
48 K G -2.2975 Soluble
49 A G -1.4940 Soluble
50 P G 0.0000 Buried
51 K G -1.6262 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.3282 Aggregation-prone
56 A G -0.1929 Soluble
57 A G 0.0000 Buried
65 S G -0.2678 Soluble
66 T G 0.0718 Aggregation-prone
67 L G 0.3153 Aggregation-prone
68 Q G -0.2261 Soluble
69 S G -0.3388 Soluble
70 G G -0.5011 Soluble
71 V G -0.3761 Soluble
72 P G -0.3682 Soluble
74 S G -0.4084 Soluble
75 R G -0.7243 Soluble
76 F G 0.0000 Buried
77 S G -0.3118 Soluble
78 G G 0.0000 Buried
79 S G -0.8355 Soluble
80 G G -1.5451 Soluble
83 S G -1.7118 Soluble
84 G G -2.1748 Soluble
85 T G -2.3712 Soluble
86 D G -2.9446 Soluble
87 F G 0.0000 Buried
88 T G -0.8034 Soluble
89 L G 0.0000 Buried
90 T G -0.6307 Soluble
91 I G 0.0000 Buried
92 S G -1.2616 Soluble
93 S G -1.1723 Soluble
94 L G 0.0000 Buried
95 Q G -0.9721 Soluble
96 P G -1.6927 Soluble
97 E G -1.9841 Soluble
98 D G 0.0000 Buried
99 V G -0.9643 Soluble
100 A G 0.0000 Buried
101 T G 0.0000 Buried
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 R G 0.0000 Buried
107 Y G 0.0000 Buried
108 N G -1.7587 Soluble
109 R G -2.1835 Soluble
114 A G -1.1404 Soluble
115 P G -0.8813 Soluble
116 Y G 0.0000 Buried
117 T G -0.5166 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.9858 Soluble
121 G G -1.4407 Soluble
122 T G 0.0000 Buried
123 K G -2.0738 Soluble
124 V G 0.0000 Buried
125 E G -1.2166 Soluble
126 I G 0.0000 Buried
127 K G -1.7456 Soluble
128 R G -0.9118 Soluble
129 T G 0.0909 Aggregation-prone
130 V G 1.1672 Aggregation-prone
131 A G 0.4585 Aggregation-prone
132 A G 0.0598 Aggregation-prone
133 P G 0.0000 Buried
134 S G 0.0128 Aggregation-prone
135 V G 0.6054 Aggregation-prone
136 F G 0.8994 Aggregation-prone
137 I G 1.3457 Aggregation-prone
138 F G 0.0000 Buried
139 P G -0.0193 Soluble
140 P G -0.0895 Soluble
141 S G 0.0000 Buried
142 D G -2.5276 Soluble
143 E G -2.5848 Soluble
144 Q G 0.0000 Buried
145 L G -0.7249 Soluble
146 K G -2.2555 Soluble
147 S G -1.3711 Soluble
148 G G -1.0086 Soluble
149 T G -0.4427 Soluble
150 A G 0.2468 Aggregation-prone
151 S G 0.0000 Buried
152 V G 0.9691 Aggregation-prone
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G 0.0000 Buried
158 N G -0.9793 Soluble
159 F G 0.0000 Buried
160 Y G 0.0000 Buried
161 P G -1.8314 Soluble
162 R G -3.0782 Soluble
163 E G -3.2836 Soluble
164 A G -2.4488 Soluble
165 K G -2.6292 Soluble
166 V G -1.4183 Soluble
167 Q G -1.0763 Soluble
168 W G 0.4969 Aggregation-prone
169 Q G -1.5957 Soluble
170 E G -2.0691 Soluble
171 S G -0.8637 Soluble
172 V G -0.3556 Soluble
173 T G -0.0086 Soluble
174 C G 0.3584 Aggregation-prone
175 Q G 0.0000 Buried
176 D G -1.4654 Soluble
177 S G -1.8849 Soluble
178 K G -2.6587 Soluble
179 D G -2.0211 Soluble
180 S G 0.0000 Buried
181 T G 0.0000 Buried
182 Y G 0.0000 Buried
183 S G 0.0000 Buried
184 L G 0.0000 Buried
185 S G -0.3841 Soluble
186 S G 0.0000 Buried
187 T G 0.1285 Aggregation-prone
188 L G 1.3021 Aggregation-prone
189 C G 0.6576 Aggregation-prone
190 E G -0.1872 Soluble
191 V G 0.0000 Buried
192 T G -1.1524 Soluble
193 H G 0.0000 Buried
194 Q G -1.7179 Soluble
195 G G -0.2991 Soluble
196 L G -0.2136 Soluble
197 S G -0.4707 Soluble
198 S G -0.3666 Soluble
199 P G -0.3615 Soluble
200 V G 0.5750 Aggregation-prone
201 T G 0.3693 Aggregation-prone

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 -0.5855 2.7788 CSV PDB
4.5 -0.6234 2.7381 CSV PDB
5.0 -0.6682 2.6933 CSV PDB
5.5 -0.7113 2.6471 CSV PDB
6.0 -0.7422 2.6183 CSV PDB
6.5 -0.7531 2.6084 CSV PDB
7.0 -0.745 2.6018 CSV PDB
7.5 -0.7253 2.5986 CSV PDB
8.0 -0.6993 2.5974 CSV PDB
8.5 -0.6684 2.597 CSV PDB
9.0 -0.6315 2.5968 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH