Adalimumab / 4nyl

A4DAB005_4nyl_H_L | Source PDB: 4nyl | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7269
Max Score
2.0056
Min Score
-3.9334
Total Score
-307.47
Score CDR
-0.4738
Score non-CDR
-0.7593

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.9334
Maximum Score 2.0056
Average Score -0.7269
Total Score -307.4737

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

Index Residue Chain A4D Score Classification
1 E H -1.5147 Soluble
2 V H -0.1053 Soluble
3 Q H -0.5795 Soluble
4 L H 0.0000 Buried
5 V H 0.5612 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3831 Soluble
8 G H -0.9606 Soluble
9 G H -0.5629 Soluble
11 G H -0.3550 Soluble
12 L H -0.0774 Soluble
13 V H 0.0000 Buried
14 Q H -1.9230 Soluble
15 P H -1.9927 Soluble
16 G H -2.2672 Soluble
17 R H -2.9122 Soluble
18 S H -2.4021 Soluble
19 L H -1.7476 Soluble
20 R H -2.3230 Soluble
21 L H 0.0000 Buried
22 S H -0.5940 Soluble
23 C H 0.0000 Buried
24 A H -0.2808 Soluble
25 A H 0.0000 Buried
26 S H -0.4082 Soluble
27 G H -0.5860 Soluble
28 F H -0.4745 Soluble
29 T H -1.0747 Soluble
30 F H 0.0000 Buried
35 D H -2.9402 Soluble
36 D H -1.7162 Soluble
37 Y H -0.1937 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 -0.7955 Soluble
45 A H -1.2504 Soluble
46 P H -1.1965 Soluble
47 G H -1.4818 Soluble
48 K H -2.3894 Soluble
49 G H -1.6993 Soluble
50 L H 0.0000 Buried
51 E H -1.2680 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 -0.6832 Soluble
58 W H -1.0029 Soluble
59 N H -1.9804 Soluble
62 S H -1.1081 Soluble
63 G H -1.1522 Soluble
64 H H -1.1079 Soluble
65 I H -0.1204 Soluble
66 D H -1.0788 Soluble
67 Y H -1.0399 Soluble
68 A H -1.5898 Soluble
69 D H -2.5464 Soluble
70 S H -1.6367 Soluble
71 V H 0.0000 Buried
72 E H -2.8206 Soluble
74 G H -1.9355 Soluble
75 R H -1.6710 Soluble
76 F H 0.0000 Buried
77 T H -0.9973 Soluble
78 I H 0.0000 Buried
79 S H -0.4735 Soluble
80 R H -1.2860 Soluble
81 D H -1.9786 Soluble
82 N H -2.2634 Soluble
83 A H -1.5885 Soluble
84 K H -2.4088 Soluble
85 N H -2.0098 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.6518 Soluble
91 M H 0.0000 Buried
92 N H -2.5626 Soluble
93 S H -2.0927 Soluble
94 L H 0.0000 Buried
95 R H -3.0281 Soluble
96 A H -1.9236 Soluble
97 E H -2.3939 Soluble
98 D H 0.0000 Buried
99 T H -0.9480 Soluble
100 A H 0.0000 Buried
101 V H 0.2682 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 0.8838 Aggregation-prone
109 Y H 1.8729 Aggregation-prone
110 L H 2.0056 Aggregation-prone
111 S H 0.9953 Aggregation-prone
112A T H 0.1675 Aggregation-prone
112 A H -0.0014 Soluble
113 S H 0.0000 Buried
114 S H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.4118 Soluble
117 Y H -0.2226 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3549 Soluble
121 G H 0.0000 Buried
122 T H -0.0776 Soluble
123 L H 0.0591 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5346 Soluble
126 V H 0.0000 Buried
127 S H -0.9422 Soluble
128 S H -0.6082 Soluble
129 A H -0.5166 Soluble
130 S H -0.7457 Soluble
131 T H -1.1070 Soluble
132 K H -1.9404 Soluble
133 G H -1.8563 Soluble
134 P H -0.8900 Soluble
135 S H -0.4852 Soluble
136 V H 0.0000 Buried
137 F H -0.5928 Soluble
138 P H -0.5715 Soluble
139 L H 0.0000 Buried
140 A H 0.0858 Aggregation-prone
141 P H -0.0217 Soluble
142 G H -0.6512 Soluble
143 T H -0.5027 Soluble
144 A H 0.0000 Buried
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 -0.3291 Soluble
152 D H -0.6216 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.5268 Soluble
157 P H -0.7436 Soluble
158 V H -0.7251 Soluble
159 T H -0.4104 Soluble
160 V H -0.4060 Soluble
161 S H -0.4420 Soluble
162 W H 0.0000 Buried
163 N H -0.8215 Soluble
164 S H -0.6903 Soluble
165 G H -0.5509 Soluble
166 A H -0.2270 Soluble
167 L H 0.0229 Aggregation-prone
168 T H -0.1020 Soluble
169 S H -0.1367 Soluble
170 G H -0.1202 Soluble
171 V H 0.2470 Aggregation-prone
172 H H -0.1090 Soluble
173 T H 0.0182 Aggregation-prone
174 F H 0.0000 Buried
175 P H -0.2291 Soluble
176 A H 0.2827 Aggregation-prone
177 V H 0.5860 Aggregation-prone
178 L H 1.3437 Aggregation-prone
179 Q H 0.3247 Aggregation-prone
180 S H -0.0587 Soluble
181 S H -0.2203 Soluble
182 G H 0.0370 Aggregation-prone
183 L H -0.0151 Soluble
184 Y H 0.4061 Aggregation-prone
185 S H 0.0000 Buried
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 -0.1237 Soluble
192 V H 0.0000 Buried
193 P H -0.4456 Soluble
194 S H -0.4802 Soluble
195 S H -0.5456 Soluble
196 S H -0.4933 Soluble
197 L H -0.1618 Soluble
198 G H -0.6051 Soluble
199 T H -0.7642 Soluble
200 Q H -1.2707 Soluble
201 T H -0.8145 Soluble
202 Y H 0.0000 Buried
203 I H -1.0066 Soluble
204 C H 0.0000 Buried
205 N H -1.6719 Soluble
206 V H 0.0000 Buried
207 N H -1.9933 Soluble
208 H H 0.0000 Buried
209 K H -2.8250 Soluble
210 P H -1.7475 Soluble
211 S H -2.0612 Soluble
212 N H -2.7258 Soluble
213 T H -2.0240 Soluble
214 K H -2.7281 Soluble
215 V H -1.7685 Soluble
216 D H -2.6902 Soluble
217 K H -1.9531 Soluble
218 K H -1.9926 Soluble
219 V H -0.4282 Soluble
2 I L 1.1316 Aggregation-prone
3 Q L -0.8764 Soluble
4 M L 0.0000 Buried
5 T L -1.3889 Soluble
6 Q L 0.0000 Buried
7 S L -0.7721 Soluble
8 P L -0.5376 Soluble
9 S L -0.7341 Soluble
10 S L -0.5273 Soluble
11 L L -0.2431 Soluble
12 S L -0.7502 Soluble
13 A L -1.0887 Soluble
14 S L -1.3094 Soluble
15 V L -0.8719 Soluble
16 G L -1.2586 Soluble
17 D L -2.0313 Soluble
18 R L -2.3829 Soluble
19 V L 0.0000 Buried
20 T L -0.6306 Soluble
21 I L 0.0000 Buried
22 T L -0.8562 Soluble
23 C L 0.0000 Buried
24 R L -2.8035 Soluble
25 A L 0.0000 Buried
26 S L -1.2251 Soluble
27 Q L -1.8764 Soluble
28 G L -2.0745 Soluble
29 I L 0.0000 Buried
36 R L -2.4312 Soluble
37 N L -1.1980 Soluble
38 Y L -0.5359 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 -1.2016 Soluble
45 K L -1.7055 Soluble
46 P L -1.5203 Soluble
47 G L -1.7833 Soluble
48 K L -2.5113 Soluble
49 A L -1.6954 Soluble
50 P L 0.0000 Buried
51 K L -1.8743 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.2019 Aggregation-prone
56 A L -0.1489 Soluble
57 A L 0.0000 Buried
65 S L -0.2225 Soluble
66 T L 0.0087 Aggregation-prone
67 L L 0.1990 Aggregation-prone
68 Q L -0.4541 Soluble
69 S L -0.4115 Soluble
70 G L -0.5091 Soluble
71 V L -0.3580 Soluble
72 P L -0.3388 Soluble
74 S L -0.4451 Soluble
75 R L -0.7816 Soluble
76 F L 0.0000 Buried
77 S L -0.3436 Soluble
78 G L -0.2814 Soluble
79 S L -0.6451 Soluble
80 G L -1.2665 Soluble
83 S L -1.3641 Soluble
84 G L -1.9642 Soluble
85 T L -2.1966 Soluble
86 D L -2.4020 Soluble
87 F L 0.0000 Buried
88 T L -0.7289 Soluble
89 L L 0.0000 Buried
90 T L -0.6103 Soluble
91 I L 0.0000 Buried
92 S L -1.3985 Soluble
93 S L -1.2551 Soluble
94 L L 0.0000 Buried
95 Q L -1.3249 Soluble
96 P L -1.9589 Soluble
97 E L -2.3804 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.5794 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 R L 0.0000 Buried
107 Y L 0.0000 Buried
108 N L -1.4477 Soluble
109 R L -2.0317 Soluble
114 A L -0.7765 Soluble
115 P L -0.7179 Soluble
116 Y L 0.0000 Buried
117 T L -0.4311 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8611 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.8214 Soluble
124 V L 0.0000 Buried
125 E L -0.9331 Soluble
126 I L 0.0000 Buried
127 K L -1.6960 Soluble
128 R L -1.1405 Soluble
129 T L -0.2537 Soluble
130 V L 0.0794 Aggregation-prone
131 A L -0.0089 Soluble
132 A L -0.1996 Soluble
133 P L 0.0000 Buried
134 S L -0.1579 Soluble
135 V L 0.0000 Buried
136 F L 0.0651 Aggregation-prone
137 I L 0.0920 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6953 Soluble
140 P L 0.0000 Buried
141 S L -1.4438 Soluble
142 D L -2.6381 Soluble
143 E L -2.7969 Soluble
144 Q L 0.0000 Buried
145 L L -2.0749 Soluble
146 K L -2.7154 Soluble
147 S L -1.7303 Soluble
148 G L -1.1802 Soluble
149 T L -0.7917 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 -0.3895 Soluble
158 N L -0.9078 Soluble
159 F L 0.0000 Buried
160 Y L -1.0067 Soluble
161 P L -1.4612 Soluble
162 R L -2.3386 Soluble
163 E L -2.9373 Soluble
164 A L -2.1016 Soluble
165 K L -2.0686 Soluble
166 V L -0.9360 Soluble
167 Q L -0.4565 Soluble
168 W L 0.0000 Buried
169 K L -0.4240 Soluble
170 V L 0.0000 Buried
171 D L -1.5248 Soluble
172 N L -1.3679 Soluble
173 A L -0.1797 Soluble
174 L L 0.7814 Aggregation-prone
175 Q L -0.3585 Soluble
176 S L -0.6964 Soluble
177 G L -1.3441 Soluble
178 N L -1.7540 Soluble
179 S L -1.4426 Soluble
180 Q L -1.3419 Soluble
181 E L -1.3589 Soluble
182 S L -0.6698 Soluble
183 V L -0.4430 Soluble
184 T L -1.0408 Soluble
185 E L -2.1762 Soluble
186 Q L 0.0000 Buried
187 D L -2.2965 Soluble
188 S L -2.4136 Soluble
189 K L -2.7527 Soluble
190 D L -2.1738 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 -0.6958 Soluble
199 L L 0.0000 Buried
200 T L -0.5459 Soluble
201 L L -0.6194 Soluble
202 S L -0.9669 Soluble
203 K L -2.0389 Soluble
204 A L -1.7826 Soluble
205 D L -2.5766 Soluble
206 Y L 0.0000 Buried
207 E L -3.9334 Soluble
208 K L -3.6844 Soluble
209 H L -3.4278 Soluble
210 K L -3.6525 Soluble
211 V L -1.8025 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6280 Soluble
216 V L 0.0000 Buried
217 T L -1.1000 Soluble
218 H L 0.0000 Buried
219 Q L -1.7289 Soluble
220 G L -0.5277 Soluble
221 L L -0.2997 Soluble
222 S L -0.4876 Soluble
223 S L -0.4185 Soluble
224 P L -0.4690 Soluble
225 V L 0.0290 Aggregation-prone
226 T L -0.4574 Soluble
227 K L -0.7437 Soluble
228 S L -0.6265 Soluble
229 F L -1.2073 Soluble
230 N L -2.5876 Soluble
231 R L -3.4315 Soluble
232 G L -3.4412 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 -0.7473 2.7195 CSV PDB
4.5 -0.7896 2.6814 CSV PDB
5.0 -0.8391 2.6245 CSV PDB
5.5 -0.886 2.5568 CSV PDB
6.0 -0.9196 2.4846 CSV PDB
6.5 -0.9318 2.4109 CSV PDB
7.0 -0.9233 2.3777 CSV PDB
7.5 -0.9019 2.3777 CSV PDB
8.0 -0.8736 2.3777 CSV PDB
8.5 -0.8398 2.3777 CSV PDB
9.0 -0.7995 2.3777 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH