Adalimumab / 3wd5

A4DAB005_3wd5_H_L | Source PDB: 3wd5 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7045
Max Score
1.5403
Min Score
-3.4784
Total Score
-300.83
Score CDR
-0.5526
Score non-CDR
-0.7238

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLDMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKIDIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4784
Maximum Score 1.5403
Average Score -0.7045
Total Score -300.8293

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

Index Residue Chain A4D Score Classification
1 E H -2.1370 Soluble
2 V H -1.0496 Soluble
3 Q H -1.0334 Soluble
4 L H 0.0000 Buried
5 V H 1.2159 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3276 Soluble
8 G H -0.9626 Soluble
9 G H -0.7195 Soluble
11 G H -0.4166 Soluble
12 L H -0.0552 Soluble
13 V H 0.0000 Buried
14 Q H -1.7615 Soluble
15 P H -1.8758 Soluble
16 G H -2.1679 Soluble
17 R H -2.7207 Soluble
18 S H -2.0695 Soluble
19 L H -1.4563 Soluble
20 R H -2.0965 Soluble
21 L H 0.0000 Buried
22 S H -0.3080 Soluble
23 C H 0.0000 Buried
24 A H -0.0044 Soluble
25 A H 0.0000 Buried
26 S H -0.9884 Soluble
27 G H -1.3204 Soluble
28 F H -0.8900 Soluble
29 T H -0.9801 Soluble
30 F H 0.0000 Buried
35 D H -2.1126 Soluble
36 D H -1.7864 Soluble
37 Y H -0.2267 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 -0.5724 Soluble
45 A H -1.0121 Soluble
46 P H -0.8928 Soluble
47 G H -1.2426 Soluble
48 K H -1.8241 Soluble
49 G H -1.2446 Soluble
50 L H 0.0000 Buried
51 E H -0.7761 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 -0.5773 Soluble
58 W H -0.9470 Soluble
59 N H -1.9157 Soluble
62 S H -1.0223 Soluble
63 G H -1.0574 Soluble
64 H H -0.8932 Soluble
65 I H -0.0687 Soluble
66 D H -0.6897 Soluble
67 Y H -0.8582 Soluble
68 A H 0.0000 Buried
69 D H -2.4086 Soluble
70 S H -1.3890 Soluble
71 V H -1.4513 Soluble
72 E H -2.3065 Soluble
74 G H -1.4862 Soluble
75 R H -1.2175 Soluble
76 F H 0.0000 Buried
77 T H -0.7822 Soluble
78 I H 0.0000 Buried
79 S H -0.2091 Soluble
80 R H -1.0166 Soluble
81 D H -1.6134 Soluble
82 N H -1.9722 Soluble
83 A H -1.4029 Soluble
84 K H -2.2007 Soluble
85 N H -1.8222 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.4131 Soluble
89 L H 0.0000 Buried
90 D H -1.3010 Soluble
91 M H 0.0000 Buried
92 N H -1.8122 Soluble
93 S H -1.7421 Soluble
94 L H 0.0000 Buried
95 R H -2.5373 Soluble
96 A H -1.6491 Soluble
97 E H -2.2293 Soluble
98 D H 0.0000 Buried
99 T H -0.7957 Soluble
100 A H 0.0000 Buried
101 V H 0.1388 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 0.0000 Buried
109 Y H 1.5403 Aggregation-prone
110 L H 1.2342 Aggregation-prone
111 S H 0.6540 Aggregation-prone
112A T H 0.0000 Buried
112 A H -0.2325 Soluble
113 S H 0.0000 Buried
114 S H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.1342 Soluble
117 Y H -0.1330 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2634 Soluble
121 G H 0.0000 Buried
122 T H -0.0329 Soluble
123 L H -0.0207 Soluble
124 V H 0.0000 Buried
125 T H -0.4156 Soluble
126 V H 0.0000 Buried
127 S H -0.6269 Soluble
128 S H -0.5747 Soluble
129 A H -0.3297 Soluble
130 S H -0.4530 Soluble
131 T H -0.7874 Soluble
132 K H -1.0408 Soluble
133 G H -1.3025 Soluble
134 P H -0.6345 Soluble
135 S H -0.4393 Soluble
136 V H 0.0000 Buried
137 F H -0.5530 Soluble
138 P H -0.5304 Soluble
139 L H 0.0000 Buried
140 A H -0.1602 Soluble
141 P H -0.1313 Soluble
142 S H -0.4687 Soluble
143 S H -0.5877 Soluble
144 G H -0.6298 Soluble
145 T H -0.4973 Soluble
146 A H -0.3102 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.4509 Soluble
154 D H -0.6195 Soluble
155 Y H 0.0000 Buried
156 F H -0.1998 Soluble
157 P H 0.0000 Buried
158 E H -0.6379 Soluble
159 P H -0.7120 Soluble
160 V H 0.0000 Buried
161 T H -0.6057 Soluble
162 V H -0.2535 Soluble
163 S H -0.4402 Soluble
164 W H 0.0000 Buried
165 N H -0.7922 Soluble
166 S H -0.7105 Soluble
167 G H -0.5375 Soluble
168 A H -0.1807 Soluble
169 L H 0.0168 Aggregation-prone
170 T H -0.1549 Soluble
171 S H -0.1472 Soluble
172 G H -0.1657 Soluble
173 V H 0.1726 Aggregation-prone
174 H H -0.2618 Soluble
175 T H 0.0371 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.2428 Soluble
178 A H 0.4116 Aggregation-prone
179 V H 0.5410 Aggregation-prone
180 L H 1.3123 Aggregation-prone
181 Q H 0.2690 Aggregation-prone
182 S H -0.2007 Soluble
183 S H -0.2347 Soluble
184 G H 0.0408 Aggregation-prone
185 L H 0.1757 Aggregation-prone
186 Y H 0.4067 Aggregation-prone
187 S H 0.1938 Aggregation-prone
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1418 Soluble
194 V H 0.0000 Buried
195 P H -0.4685 Soluble
196 S H -0.5498 Soluble
197 S H -0.5408 Soluble
198 S H -0.4290 Soluble
199 L H -0.2326 Soluble
200 G H -0.5675 Soluble
201 T H -0.5354 Soluble
202 Q H -0.7403 Soluble
203 T H -0.6009 Soluble
204 Y H 0.0000 Buried
205 I H -0.9033 Soluble
206 C H 0.0000 Buried
207 N H -1.5341 Soluble
208 V H 0.0000 Buried
209 N H -1.7524 Soluble
210 H H 0.0000 Buried
211 K H -2.7797 Soluble
212 P H -1.6250 Soluble
213 S H -1.7246 Soluble
214 N H -2.5493 Soluble
215 T H -1.9751 Soluble
216 K H -2.6156 Soluble
217 V H -1.3367 Soluble
218 D H -2.4957 Soluble
219 K H -1.8638 Soluble
220 K H -1.8962 Soluble
221 I H -0.3660 Soluble
1 D L -2.3117 Soluble
2 I L -1.5137 Soluble
3 Q L -2.1068 Soluble
4 M L 0.0000 Buried
5 T L -1.5090 Soluble
6 Q L 0.0000 Buried
7 S L -0.7726 Soluble
8 P L -0.6997 Soluble
9 S L -0.9768 Soluble
10 S L -1.0116 Soluble
11 L L -0.5661 Soluble
12 S L -0.7952 Soluble
13 A L -1.2052 Soluble
14 S L -1.3728 Soluble
15 V L -0.7330 Soluble
16 G L -1.2556 Soluble
17 D L -2.2221 Soluble
18 R L -2.5085 Soluble
19 V L 0.0000 Buried
20 T L -0.5128 Soluble
21 I L 0.0000 Buried
22 T L -0.9865 Soluble
23 C L 0.0000 Buried
24 R L -3.0072 Soluble
25 A L 0.0000 Buried
26 S L -1.8591 Soluble
27 Q L -1.9497 Soluble
28 G L -1.9002 Soluble
29 I L 0.0000 Buried
36 R L -2.4831 Soluble
37 N L -1.5532 Soluble
38 Y L -0.6544 Soluble
39 L L 0.0000 Buried
40 A 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 -1.8992 Soluble
46 P L -1.4795 Soluble
47 G L -1.7779 Soluble
48 K L -2.5156 Soluble
49 A L -1.5908 Soluble
50 P L 0.0000 Buried
51 K L -1.3733 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1879 Aggregation-prone
56 A L -0.2292 Soluble
57 A L 0.0000 Buried
65 S L -0.3165 Soluble
66 T L 0.0184 Aggregation-prone
67 L L 0.0715 Aggregation-prone
68 Q L -0.4073 Soluble
69 S L -0.4649 Soluble
70 G L -0.6121 Soluble
71 V L 0.0000 Buried
72 P L -0.4523 Soluble
74 S L -0.5001 Soluble
75 R L -0.7710 Soluble
76 F L 0.0000 Buried
77 S L -0.3176 Soluble
78 G L -0.2564 Soluble
79 S L -0.7750 Soluble
80 G L -1.5014 Soluble
83 S L -1.6232 Soluble
84 G L -2.0785 Soluble
85 T L -2.3890 Soluble
86 D L -3.0090 Soluble
87 F L 0.0000 Buried
88 T L -0.8587 Soluble
89 L L 0.0000 Buried
90 T L -0.5905 Soluble
91 I L 0.0000 Buried
92 S L -1.4088 Soluble
93 S L -1.3634 Soluble
94 L L 0.0000 Buried
95 Q L -1.2454 Soluble
96 P L -1.6891 Soluble
97 E L -1.9716 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 T L 0.0000 Buried
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 R L 0.0000 Buried
107 Y L 0.0000 Buried
108 N L -1.6188 Soluble
109 R L -2.0162 Soluble
114 A L -0.9599 Soluble
115 P L -1.1792 Soluble
116 Y L 0.0000 Buried
117 T L -0.7974 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4219 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9399 Soluble
124 V L 0.0000 Buried
125 E L -1.4377 Soluble
126 I L 0.0000 Buried
127 K L -1.8687 Soluble
128 R L -1.0137 Soluble
129 T L -0.1575 Soluble
130 V L 0.4478 Aggregation-prone
131 A L 0.0708 Aggregation-prone
132 A L -0.1153 Soluble
133 P L 0.0000 Buried
134 S L -0.1648 Soluble
135 V L 0.0000 Buried
136 F L 0.0218 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7605 Soluble
140 P L -0.7081 Soluble
141 S L -1.4001 Soluble
142 D L -2.7680 Soluble
143 E L -2.5859 Soluble
144 Q L 0.0000 Buried
145 L L -1.8997 Soluble
146 K L -2.7493 Soluble
147 S L -1.7165 Soluble
148 G L -1.3176 Soluble
149 T L -0.9467 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 -0.8227 Soluble
159 F L 0.0000 Buried
160 Y L -0.8375 Soluble
161 P L -1.3247 Soluble
162 R L -2.1023 Soluble
163 E L -2.8414 Soluble
164 A L -2.0742 Soluble
165 K L -2.2277 Soluble
166 V L -1.0628 Soluble
167 Q L -0.4771 Soluble
168 W L 0.0000 Buried
169 K L -0.5419 Soluble
170 V L 0.0000 Buried
171 D L -1.9947 Soluble
172 N L -1.5257 Soluble
173 A L -0.3297 Soluble
174 L L 0.6517 Aggregation-prone
175 Q L -0.3488 Soluble
176 S L -0.5602 Soluble
177 G L -1.1768 Soluble
178 N L -1.7749 Soluble
179 S L -1.5688 Soluble
180 Q L -1.5597 Soluble
181 E L -2.0573 Soluble
182 S L -0.9032 Soluble
183 V L -0.5029 Soluble
184 T L -0.8767 Soluble
185 E L -1.9221 Soluble
186 Q L 0.0000 Buried
187 D L -1.9975 Soluble
188 S L -2.2306 Soluble
189 K L -2.4896 Soluble
190 D L -1.7002 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 -0.8531 Soluble
199 L L 0.0000 Buried
200 T L -0.7834 Soluble
201 L L 0.0000 Buried
202 S L -0.9701 Soluble
203 K L -1.8923 Soluble
204 A L -1.6315 Soluble
205 D L -2.0666 Soluble
206 Y L 0.0000 Buried
207 E L -3.4784 Soluble
208 K L -3.2716 Soluble
209 H L -2.8141 Soluble
210 K L -2.7587 Soluble
211 V L -1.3687 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7552 Soluble
216 V L 0.0000 Buried
217 T L -1.0580 Soluble
218 H L 0.0000 Buried
219 Q L -1.6441 Soluble
220 G L -0.3998 Soluble
221 L L -0.2790 Soluble
222 S L -0.4688 Soluble
223 S L -0.3996 Soluble
224 P L -0.4709 Soluble
225 V L 0.0126 Aggregation-prone
226 T L -0.4368 Soluble
227 K L -0.7606 Soluble
228 S L -0.8483 Soluble
229 F L -1.0097 Soluble
230 N L -1.8057 Soluble
231 R L -2.0448 Soluble
232 G L -1.8659 Soluble
233 E L -2.3466 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 -0.7326 2.2023 CSV PDB
4.5 -0.7791 2.0886 CSV PDB
5.0 -0.8335 1.9523 CSV PDB
5.5 -0.886 1.8066 CSV PDB
6.0 -0.9263 1.6999 CSV PDB
6.5 -0.946 1.6244 CSV PDB
7.0 -0.9445 1.5489 CSV PDB
7.5 -0.9289 1.474 CSV PDB
8.0 -0.9056 1.4476 CSV PDB
8.5 -0.8762 1.5565 CSV PDB
9.0 -0.8392 1.6768 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH