Adalimumab / 8xj0

A4DAB005_8xj0_D_C | Source PDB: 8xj0 | Chains: D, C | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.7093
Max Score
2.1049
Min Score
-4.1633
Total Score
-303.6
Score CDR
-0.4621
Score non-CDR
-0.7406

Calculation Parameters

Chain Sequence(s) EVQLVESGGCLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKCSNTKVDKKVEPIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKCGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTCQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) D (Heavy), C (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 -4.1633
Maximum Score 2.1049
Average Score -0.7093
Total Score -303.5989

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

Index Residue Chain A4D Score Classification
1 E D -2.0026 Soluble
2 V D -1.2528 Soluble
3 Q D -1.3707 Soluble
4 L D 0.0000 Buried
5 V D 0.4021 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.4581 Soluble
8 G D -0.8634 Soluble
9 G D 0.0000 Buried
11 C D -0.0478 Soluble
12 L D 0.1407 Aggregation-prone
13 V D 0.0000 Buried
14 Q D -1.5904 Soluble
15 P D -1.9989 Soluble
16 G D -2.0864 Soluble
17 R D -2.6692 Soluble
18 S D -2.1136 Soluble
19 L D -1.6370 Soluble
20 R D -2.2499 Soluble
21 L D 0.0000 Buried
22 S D -0.5264 Soluble
23 C D 0.0000 Buried
24 A D -0.5024 Soluble
25 A D 0.0000 Buried
26 S D -0.8866 Soluble
27 G D -1.2340 Soluble
28 F D -0.8984 Soluble
29 T D -0.8254 Soluble
30 F D 0.0000 Buried
35 D D -2.2062 Soluble
36 D D -0.7634 Soluble
37 Y D 0.3346 Aggregation-prone
38 A D 0.0000 Buried
39 M D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.8310 Soluble
45 A D -1.2221 Soluble
46 P D -0.9825 Soluble
47 G D -1.4734 Soluble
48 K D -2.3701 Soluble
49 G D -1.6532 Soluble
50 L D 0.0000 Buried
51 E D -1.1346 Soluble
52 W D 0.0000 Buried
53 V D 0.0000 Buried
54 S D 0.0000 Buried
55 A D 0.0000 Buried
56 I D 0.0000 Buried
57 T D -0.3021 Soluble
58 W D -0.2717 Soluble
59 N D -1.6031 Soluble
62 S D -1.0658 Soluble
63 G D -1.0641 Soluble
64 H D -1.0163 Soluble
65 I D 0.0033 Aggregation-prone
66 D D -0.7178 Soluble
67 Y D -0.8279 Soluble
68 A D -1.5166 Soluble
69 D D -2.5482 Soluble
70 S D -1.5423 Soluble
71 V D 0.0000 Buried
72 E D -2.7000 Soluble
74 G D -1.6762 Soluble
75 R D 0.0000 Buried
76 F D 0.0000 Buried
77 T D -0.8081 Soluble
78 I D 0.0000 Buried
79 S D -0.3134 Soluble
80 R D 0.0000 Buried
81 D D -2.0656 Soluble
82 N D -2.1093 Soluble
83 A D -1.6514 Soluble
84 K D -2.5430 Soluble
85 N D -2.1452 Soluble
86 S D -1.2981 Soluble
87 L D 0.0000 Buried
88 Y D -0.6279 Soluble
89 L D 0.0000 Buried
90 Q D -1.5530 Soluble
91 M D 0.0000 Buried
92 N D -1.7776 Soluble
93 S D -1.6957 Soluble
94 L D 0.0000 Buried
95 R D -2.5896 Soluble
96 A D -1.7332 Soluble
97 E D -2.2745 Soluble
98 D D 0.0000 Buried
99 T D -0.7667 Soluble
100 A D 0.0000 Buried
101 V D 0.2234 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 K D 0.0000 Buried
107 V D 0.0000 Buried
108 S D 0.8674 Aggregation-prone
109 Y D 1.8624 Aggregation-prone
110 L D 2.1049 Aggregation-prone
111 S D 1.0998 Aggregation-prone
112A T D 0.1381 Aggregation-prone
112 A D -0.2704 Soluble
113 S D 0.0000 Buried
114 S D 0.0000 Buried
115 L D 0.0000 Buried
116 D D -0.2102 Soluble
117 Y D -0.2451 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.4145 Soluble
121 G D -0.5487 Soluble
122 T D -0.0257 Soluble
123 L D 0.2481 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3312 Soluble
126 V D 0.0000 Buried
127 S D -0.7086 Soluble
128 S D -0.4974 Soluble
129 A D -0.4559 Soluble
130 S D -0.6384 Soluble
131 T D -0.8371 Soluble
132 K D -1.8585 Soluble
133 G D -1.5944 Soluble
134 P D 0.0000 Buried
135 S D -0.3727 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.1321 Soluble
139 L D 0.0000 Buried
140 A D -1.0764 Soluble
141 P D 0.0000 Buried
142 S D -0.7466 Soluble
143 S D -0.5501 Soluble
144 K D -0.6225 Soluble
145 G D -0.6257 Soluble
146 T D -0.5512 Soluble
147 A D 0.0000 Buried
148 A D 0.0000 Buried
149 L D 0.0000 Buried
150 G D 0.0000 Buried
151 C D 0.0000 Buried
152 L D 0.0000 Buried
153 V D 0.0000 Buried
154 K D 0.0000 Buried
155 D D -0.3964 Soluble
156 Y D 0.0000 Buried
157 F D -0.3101 Soluble
158 P D 0.0000 Buried
159 E D -0.3152 Soluble
160 P D -0.4490 Soluble
161 V D -0.5457 Soluble
162 T D -0.6005 Soluble
163 V D -0.4622 Soluble
164 S D -0.4442 Soluble
165 W D 0.0000 Buried
166 N D -0.8333 Soluble
167 S D -0.7192 Soluble
168 G D -0.5242 Soluble
169 A D -0.2532 Soluble
170 L D 0.0268 Aggregation-prone
171 T D -0.1809 Soluble
172 S D -0.2042 Soluble
173 G D -0.2305 Soluble
174 V D 0.0891 Aggregation-prone
175 H D -0.1438 Soluble
176 T D -0.0274 Soluble
177 F D 0.0000 Buried
178 P D -0.1589 Soluble
179 A D 0.2181 Aggregation-prone
180 V D 0.4776 Aggregation-prone
181 L D 1.3082 Aggregation-prone
182 Q D 0.2688 Aggregation-prone
183 S D -0.1291 Soluble
184 S D -0.1714 Soluble
185 G D 0.1066 Aggregation-prone
186 L D 0.1792 Aggregation-prone
187 Y D 0.5135 Aggregation-prone
188 S D 0.3590 Aggregation-prone
189 L D 0.0000 Buried
190 S D 0.0000 Buried
191 S D 0.0000 Buried
192 V D 0.0000 Buried
193 V D 0.0000 Buried
194 T D -0.1752 Soluble
195 V D 0.0000 Buried
196 P D -0.5790 Soluble
197 S D -0.6643 Soluble
198 S D -0.6206 Soluble
199 S D -0.6300 Soluble
200 L D -0.9208 Soluble
201 G D -1.0942 Soluble
202 T D -0.7201 Soluble
203 Q D -1.2134 Soluble
204 T D -1.1512 Soluble
205 Y D 0.0000 Buried
206 I D -1.3573 Soluble
207 C D 0.0000 Buried
208 N D -1.6608 Soluble
209 V D 0.0000 Buried
210 N D -2.1039 Soluble
211 H D 0.0000 Buried
212 K D -2.5677 Soluble
213 C D -1.3916 Soluble
214 S D -1.8937 Soluble
215 N D -2.5716 Soluble
216 T D -2.1329 Soluble
217 K D -2.7838 Soluble
218 V D -1.8573 Soluble
219 D D -2.7905 Soluble
220 K D -2.3320 Soluble
221 K D -2.6715 Soluble
222 V D 0.0000 Buried
223 E D -2.5282 Soluble
224 P D -1.2671 Soluble
2 I C 1.1130 Aggregation-prone
3 Q C -0.8958 Soluble
4 M C 0.0000 Buried
5 T C -1.4281 Soluble
6 Q C 0.0000 Buried
7 S C -0.8681 Soluble
8 P C -0.6804 Soluble
9 S C -0.9030 Soluble
10 S C -0.7483 Soluble
11 L C -0.5707 Soluble
12 S C -0.9908 Soluble
13 A C 0.0000 Buried
14 S C -1.0615 Soluble
15 V C -0.2259 Soluble
16 G C -0.8344 Soluble
17 D C -1.6728 Soluble
18 R C -2.2807 Soluble
19 V C 0.0000 Buried
20 T C -0.6367 Soluble
21 I C 0.0000 Buried
22 T C -0.9834 Soluble
23 C C 0.0000 Buried
24 R C -3.1456 Soluble
25 A C 0.0000 Buried
26 S C -1.3401 Soluble
27 Q C -1.9903 Soluble
28 G C -2.3278 Soluble
29 I C 0.0000 Buried
36 R C -2.7493 Soluble
37 N C -1.7612 Soluble
38 Y C -1.0614 Soluble
39 L C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -0.8716 Soluble
46 C C -0.1283 Soluble
47 G C -1.0955 Soluble
48 K C -2.1750 Soluble
49 A C -1.3635 Soluble
50 P C 0.0000 Buried
51 K C -1.2185 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.0738 Aggregation-prone
56 A C -0.3145 Soluble
57 A C 0.0000 Buried
65 S C -0.3082 Soluble
66 T C 0.0170 Aggregation-prone
67 L C 0.0644 Aggregation-prone
68 Q C -0.4431 Soluble
69 S C -0.4726 Soluble
70 G C -0.6210 Soluble
71 V C 0.0000 Buried
72 P C -0.4580 Soluble
74 S C -0.4961 Soluble
75 R C -0.7148 Soluble
76 F C 0.0000 Buried
77 S C -0.3016 Soluble
78 G C 0.0000 Buried
79 S C -0.7916 Soluble
80 G C -1.6547 Soluble
83 S C -2.0040 Soluble
84 G C -2.4745 Soluble
85 T C -2.5785 Soluble
86 D C -3.2151 Soluble
87 F C 0.0000 Buried
88 T C -0.9100 Soluble
89 L C 0.0000 Buried
90 T C -0.6182 Soluble
91 I C 0.0000 Buried
92 S C -1.2662 Soluble
93 S C -1.1299 Soluble
94 L C 0.0000 Buried
95 Q C -0.8710 Soluble
96 P C -1.4714 Soluble
97 E C -1.6371 Soluble
98 D C 0.0000 Buried
99 V C 0.0000 Buried
100 A C 0.0000 Buried
101 T C -0.5971 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 R C 0.0000 Buried
107 Y C 0.0000 Buried
108 N C -1.8903 Soluble
109 R C -2.1726 Soluble
114 A C -1.0113 Soluble
115 P C -0.7064 Soluble
116 Y C 0.0000 Buried
117 T C -0.3224 Soluble
118 F C 0.0000 Buried
119 G C -1.2572 Soluble
120 Q C -1.9150 Soluble
121 G C -1.2787 Soluble
122 T C 0.0000 Buried
123 K C -1.3017 Soluble
124 V C 0.0000 Buried
125 E C -1.3426 Soluble
126 I C 0.0000 Buried
127 K C -1.7558 Soluble
128 R C -1.0631 Soluble
129 T C -0.0286 Soluble
130 V C 0.6455 Aggregation-prone
131 A C 0.3334 Aggregation-prone
132 A C -0.0419 Soluble
133 P C -0.2211 Soluble
134 S C -0.2681 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.7741 Soluble
140 P C 0.0000 Buried
141 S C -1.4599 Soluble
142 D C -2.6794 Soluble
143 E C -2.5910 Soluble
144 Q C 0.0000 Buried
145 L C -2.0610 Soluble
146 K C -2.5975 Soluble
147 S C -1.6155 Soluble
148 G C -1.1099 Soluble
149 T C -0.9086 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C -0.4313 Soluble
158 N C -0.8913 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C 0.0000 Buried
162 R C -2.4458 Soluble
163 E C -3.0998 Soluble
164 A C -2.3165 Soluble
165 K C -2.3225 Soluble
166 V C -1.3456 Soluble
167 Q C -1.0029 Soluble
168 W C 0.0000 Buried
169 K C -0.8098 Soluble
170 V C 0.0000 Buried
171 D C -1.7767 Soluble
172 N C -1.4211 Soluble
173 A C -0.5001 Soluble
174 L C 0.1781 Aggregation-prone
175 Q C -0.5540 Soluble
176 S C -0.5940 Soluble
177 G C -0.9245 Soluble
178 N C -0.8879 Soluble
179 S C -1.2460 Soluble
180 Q C -1.4467 Soluble
181 E C -1.9993 Soluble
182 S C -0.8754 Soluble
183 V C -0.6132 Soluble
184 T C -0.0870 Soluble
185 C C 0.0578 Aggregation-prone
186 Q C 0.0000 Buried
187 D C -1.5659 Soluble
188 S C -1.7421 Soluble
189 K C -2.5633 Soluble
190 D C -1.9260 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.7630 Soluble
199 L C 0.0000 Buried
200 T C -0.3301 Soluble
201 L C -0.5217 Soluble
202 S C -1.1585 Soluble
203 K C -2.3068 Soluble
204 A C -2.0254 Soluble
205 D C -2.9510 Soluble
206 Y C 0.0000 Buried
207 E C -4.1633 Soluble
208 K C -3.9587 Soluble
209 H C -3.5661 Soluble
210 K C -3.5971 Soluble
211 V C -2.0084 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.7523 Soluble
216 V C 0.0000 Buried
217 T C -1.2102 Soluble
218 H C 0.0000 Buried
219 Q C -1.6081 Soluble
220 G C -0.3463 Soluble
221 L C -0.2422 Soluble
222 S C -0.4925 Soluble
223 S C -0.4430 Soluble
224 P C -0.5036 Soluble
225 V C 0.1312 Aggregation-prone
226 T C -0.2904 Soluble
227 K C -0.4340 Soluble
228 S C -0.8514 Soluble
229 F C -1.2196 Soluble
230 N C -2.6615 Soluble
231 R C -3.4487 Soluble
232 G C -3.4642 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
Load structure at specific pH condition
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 -0.7428 2.7841 CSV PDB
4.5 -0.7841 2.7792 CSV PDB
5.0 -0.8326 2.7666 CSV PDB
5.5 -0.8796 2.7407 CSV PDB
6.0 -0.9144 2.7013 CSV PDB
6.5 -0.9277 2.654 CSV PDB
7.0 -0.9195 2.6033 CSV PDB
7.5 -0.8984 2.5513 CSV PDB
8.0 -0.8706 2.4989 CSV PDB
8.5 -0.8376 2.4458 CSV PDB
9.0 -0.798 2.3912 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH