Adalimumab / 6cr1

A4DAB005_6cr1_H_L | Source PDB: 6cr1 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7527
Max Score
1.9802
Min Score
-3.5825
Total Score
-327.43
Score CDR
-0.5561
Score non-CDR
-0.7771

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPTVKILQSICDGGGHFPPTIQLLCLVSGYTPGTIQITWLEDGQVMDVDLSTASTTQEGELASTQSELTLSQKHWLSDRTYTCQVTYQGHTFEDSTKKCADIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPTVKILQSSCDGGGHFPPTIQLLCLVSGYTPGTIQITWLEDGQVMDVDLSTASTTQEGELASTQSELTLSQKHWLSDRTYTCQVTYQGHTFEDSGKKCA 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 -3.5825
Maximum Score 1.9802
Average Score -0.7527
Total Score -327.4266

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

Index Residue Chain A4D Score Classification
1 E H -2.1815 Soluble
2 V H -1.3582 Soluble
3 Q H -1.2356 Soluble
4 L H 0.0000 Buried
5 V H 1.3130 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2098 Soluble
8 G H -0.9187 Soluble
9 G H -0.6400 Soluble
11 G H -0.5105 Soluble
12 L H -0.1389 Soluble
13 V H -0.5582 Soluble
14 Q H -1.5086 Soluble
15 P H -1.7663 Soluble
16 G H -1.3971 Soluble
18 S H -1.1830 Soluble
19 L H -0.9916 Soluble
20 R H -1.8421 Soluble
21 L H 0.0000 Buried
22 S H -0.3010 Soluble
23 C H 0.0000 Buried
24 A H 0.0058 Aggregation-prone
25 A H 0.0000 Buried
26 S H -1.0471 Soluble
27 G H -1.3223 Soluble
28 F H -0.8848 Soluble
29 T H -0.9569 Soluble
30 F H 0.0000 Buried
35 D H -2.7500 Soluble
36 D H -1.2835 Soluble
37 Y H -0.1253 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 -0.9200 Soluble
45 A H -1.2981 Soluble
46 P H -1.1788 Soluble
47 G H -1.4631 Soluble
48 K H -2.3635 Soluble
49 G H -1.6802 Soluble
50 L H 0.0000 Buried
51 E H -1.1593 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 -0.6971 Soluble
58 W H -1.0829 Soluble
59 N H -2.0643 Soluble
62 S H -1.0945 Soluble
63 G H -1.1304 Soluble
64 H H -1.0954 Soluble
65 I H 0.0367 Aggregation-prone
66 D H -1.0084 Soluble
67 Y H -1.0237 Soluble
68 A H 0.0000 Buried
69 D H -2.7472 Soluble
70 S H -1.7230 Soluble
71 V H 0.0000 Buried
72 E H -2.7162 Soluble
74 G H -1.6843 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.6941 Soluble
78 I H 0.0000 Buried
79 S H -0.3474 Soluble
80 R H -1.1779 Soluble
81 D H -1.7430 Soluble
82 N H -2.1710 Soluble
83 A H -1.5231 Soluble
84 K H -2.3782 Soluble
85 N H -1.9283 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.4630 Soluble
89 L H 0.0000 Buried
90 Q H -1.0271 Soluble
91 M H 0.0000 Buried
92 N H -1.3319 Soluble
93 S H -1.2097 Soluble
94 L H 0.0000 Buried
95 R H -2.3584 Soluble
96 A H -1.7799 Soluble
97 E H -2.2642 Soluble
98 D H 0.0000 Buried
99 T H -0.7869 Soluble
100 A H 0.0000 Buried
101 V H -0.0046 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 K H 0.0000 Buried
107 V H 0.0000 Buried
108 S H 0.8797 Aggregation-prone
109 Y H 1.7775 Aggregation-prone
110 L H 1.9802 Aggregation-prone
111 S H 1.0254 Aggregation-prone
112A T H 0.0524 Aggregation-prone
112 A H -0.1671 Soluble
113 S H 0.0000 Buried
114 S H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.3064 Soluble
117 Y H -0.1551 Soluble
118 W H -0.1127 Soluble
119 G H 0.0000 Buried
120 Q H -0.2389 Soluble
121 G H -0.0870 Soluble
122 T H 0.0000 Buried
123 L H 0.0000 Buried
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.8930 Soluble
128 S H -0.5567 Soluble
129 A H -0.3354 Soluble
130 S H -0.6516 Soluble
131 T H -1.1178 Soluble
132 K H -1.8854 Soluble
133 G H -1.1659 Soluble
134 P H -0.6547 Soluble
135 T H -0.5770 Soluble
136 V H -0.7735 Soluble
137 K H -1.2070 Soluble
138 I H 0.0000 Buried
139 L H 0.0000 Buried
140 Q H 0.0000 Buried
141 S H -0.3760 Soluble
142 I H 0.0000 Buried
143 C H 0.0000 Buried
144 D H -2.2945 Soluble
145 G H -1.9772 Soluble
146 G H -1.5126 Soluble
147 G H -1.5574 Soluble
148 H H -1.6457 Soluble
149 F H -0.8065 Soluble
150 P H -0.6908 Soluble
151 P H -0.4579 Soluble
152 T H -0.5478 Soluble
153 I H 0.0000 Buried
154 Q H -0.3921 Soluble
155 L H 0.0000 Buried
156 L H 0.0000 Buried
157 C H 0.0000 Buried
158 L H -0.4947 Soluble
159 V H 0.0000 Buried
160 S H -0.4004 Soluble
161 G H -0.7813 Soluble
162 Y H 0.0000 Buried
163 T H -1.0811 Soluble
164 P H -1.2867 Soluble
165 G H -0.4961 Soluble
166 T H -0.2080 Soluble
167 I H 0.0877 Aggregation-prone
168 Q H -0.0861 Soluble
169 I H -0.0832 Soluble
170 T H -0.1094 Soluble
171 W H 0.0000 Buried
172 L H 0.0000 Buried
173 E H -1.7867 Soluble
174 D H -2.7419 Soluble
175 G H -1.7342 Soluble
176 Q H -1.4776 Soluble
177 V H 0.3531 Aggregation-prone
178 M H 0.0000 Buried
179 D H -1.6767 Soluble
180 V H -0.8761 Soluble
181 D H -1.8513 Soluble
182 L H -0.7991 Soluble
183 S H -0.7516 Soluble
184 T H -0.8093 Soluble
185 A H -0.7920 Soluble
186 S H -0.7837 Soluble
187 T H -0.9228 Soluble
188 T H -1.8823 Soluble
189 Q H -3.0347 Soluble
190 E H -3.5825 Soluble
191 G H -2.5525 Soluble
192 E H -2.7249 Soluble
193 L H -1.9500 Soluble
194 A H 0.0000 Buried
195 S H -0.8576 Soluble
196 T H 0.0000 Buried
197 Q H -1.0086 Soluble
198 S H 0.0000 Buried
199 E H -0.6112 Soluble
200 L H 0.0000 Buried
201 T H -0.3773 Soluble
202 L H 0.0000 Buried
203 S H -0.8940 Soluble
204 Q H -1.0822 Soluble
205 K H -1.8819 Soluble
206 H H -1.3399 Soluble
207 W H 0.0000 Buried
208 L H -0.5929 Soluble
209 S H -1.3078 Soluble
210 D H -2.4643 Soluble
211 R H -2.1404 Soluble
212 T H -2.0508 Soluble
213 Y H 0.0000 Buried
214 T H -1.2788 Soluble
215 C H 0.0000 Buried
216 Q H -0.7556 Soluble
217 V H 0.0000 Buried
218 T H -0.5822 Soluble
219 Y H 0.0000 Buried
220 Q H -0.8005 Soluble
221 G H -0.8135 Soluble
222 H H -1.0696 Soluble
223 T H -0.8409 Soluble
224 F H -0.6159 Soluble
225 E H -1.9445 Soluble
226 D H -1.8076 Soluble
227 S H -1.6774 Soluble
228 T H 0.0000 Buried
229 K H -1.8338 Soluble
230 K H -1.1953 Soluble
231 C H -0.8387 Soluble
232 A H -0.4720 Soluble
1 D L -2.1344 Soluble
2 I L -1.1244 Soluble
3 Q L -1.9963 Soluble
4 M L 0.0000 Buried
5 T L -1.5787 Soluble
6 Q L 0.0000 Buried
7 S L -0.9070 Soluble
8 P L -0.7091 Soluble
9 S L -1.0018 Soluble
10 S L -1.2535 Soluble
11 L L -1.0033 Soluble
12 S L -1.2630 Soluble
13 A L -1.2391 Soluble
14 S L -0.9061 Soluble
15 V L 0.1128 Aggregation-prone
16 G L -0.6387 Soluble
17 D L -1.6431 Soluble
18 R L -2.3739 Soluble
19 V L 0.0000 Buried
20 T L -0.5250 Soluble
21 I L 0.0000 Buried
22 T L -0.9359 Soluble
23 C L 0.0000 Buried
24 R L -3.0300 Soluble
25 A L 0.0000 Buried
26 S L -1.9805 Soluble
27 Q L -2.4228 Soluble
28 G L -2.2461 Soluble
29 I L 0.0000 Buried
36 R L -2.7251 Soluble
37 N L -1.5657 Soluble
38 Y L -1.0355 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 -1.6089 Soluble
46 P L -1.0101 Soluble
47 G L -0.9066 Soluble
48 K L -1.2585 Soluble
49 A L -0.8205 Soluble
50 P L 0.0000 Buried
51 K L -1.8235 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1361 Aggregation-prone
56 A L -0.3033 Soluble
57 A L 0.0000 Buried
65 S L -0.2864 Soluble
66 T L 0.0285 Aggregation-prone
67 L L 0.1643 Aggregation-prone
68 Q L -0.4140 Soluble
69 S L -0.3976 Soluble
70 G L -0.5068 Soluble
71 V L -0.1968 Soluble
72 P L -0.3295 Soluble
74 S L -0.4367 Soluble
75 R L -0.8399 Soluble
76 F L 0.0000 Buried
77 S L -0.3458 Soluble
78 G L -0.2486 Soluble
79 S L -0.7415 Soluble
80 G L -1.5296 Soluble
83 S L -1.7542 Soluble
84 G L -2.2978 Soluble
85 T L -2.5419 Soluble
86 D L -3.0706 Soluble
87 F L 0.0000 Buried
88 T L -0.8614 Soluble
89 L L 0.0000 Buried
90 T L -0.6365 Soluble
91 I L 0.0000 Buried
92 S L -1.5238 Soluble
93 S L -1.1576 Soluble
94 L L 0.0000 Buried
95 Q L -1.0016 Soluble
96 P L -0.9500 Soluble
97 E L -1.8679 Soluble
98 D L 0.0000 Buried
99 V L -0.8247 Soluble
100 A L 0.0000 Buried
101 T L -1.2152 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 -1.7384 Soluble
109 R L -2.1377 Soluble
114 A L -0.9727 Soluble
115 P L -1.1904 Soluble
116 Y L 0.0000 Buried
117 T L -0.7053 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7948 Soluble
121 G L -1.4188 Soluble
122 T L 0.0000 Buried
123 K L -2.1363 Soluble
124 V L 0.0000 Buried
125 E L -1.7961 Soluble
126 I L -1.2133 Soluble
127 K L -1.6774 Soluble
128 R L -0.9900 Soluble
129 T L 0.4086 Aggregation-prone
130 V L 1.4568 Aggregation-prone
131 A L 0.8229 Aggregation-prone
132 A L 0.1948 Aggregation-prone
133 P L 0.0000 Buried
134 T L -0.4615 Soluble
135 V L -0.9088 Soluble
136 K L -1.2325 Soluble
137 I L 0.0000 Buried
138 L L 0.0000 Buried
139 Q L 0.0000 Buried
140 S L 0.0000 Buried
141 S L -0.7595 Soluble
142 C L 0.0000 Buried
143 D L -2.0323 Soluble
144 G L -1.8772 Soluble
145 G L -1.5328 Soluble
146 G L 0.0000 Buried
147 H L -1.5262 Soluble
148 F L -0.6333 Soluble
149 P L -0.6927 Soluble
150 P L -0.6632 Soluble
151 T L -0.6303 Soluble
152 I L 0.0000 Buried
153 Q L -0.4508 Soluble
154 L L 0.0000 Buried
155 L L 0.0000 Buried
156 C L 0.0000 Buried
157 L L -0.5190 Soluble
158 V L 0.0000 Buried
159 S L -0.3101 Soluble
160 G L -0.5345 Soluble
161 Y L 0.0000 Buried
162 T L -0.5316 Soluble
163 P L -0.7926 Soluble
164 G L -0.7479 Soluble
165 T L -0.6820 Soluble
166 I L -0.5828 Soluble
167 Q L -1.1056 Soluble
168 I L -0.6015 Soluble
169 T L 0.0102 Aggregation-prone
170 W L 0.0000 Buried
171 L L -0.4569 Soluble
172 E L -1.3118 Soluble
173 D L -2.1249 Soluble
174 G L -1.4093 Soluble
175 Q L -1.1622 Soluble
176 V L 0.7693 Aggregation-prone
177 M L 0.0000 Buried
178 D L -1.0976 Soluble
179 V L 0.4246 Aggregation-prone
180 D L -1.3153 Soluble
181 L L -0.5314 Soluble
182 S L -0.4123 Soluble
183 T L -0.3259 Soluble
184 A L -0.5521 Soluble
185 S L -0.5213 Soluble
186 T L -0.8281 Soluble
187 T L -1.8265 Soluble
188 Q L -2.9304 Soluble
189 E L -3.4880 Soluble
190 G L -2.4137 Soluble
191 E L -2.6142 Soluble
192 L L -1.6267 Soluble
193 A L 0.0000 Buried
194 S L -0.9157 Soluble
195 T L 0.0000 Buried
196 Q L -0.8841 Soluble
197 S L 0.0000 Buried
198 E L -0.7899 Soluble
199 L L 0.0000 Buried
200 T L -0.4765 Soluble
201 L L 0.0000 Buried
202 S L -0.9670 Soluble
203 Q L -1.1751 Soluble
204 K L -1.9209 Soluble
205 H L -1.2737 Soluble
206 W L 0.0000 Buried
207 L L -0.5441 Soluble
208 S L -1.0131 Soluble
209 D L -1.7124 Soluble
210 R L -1.8620 Soluble
211 T L -1.7780 Soluble
212 Y L 0.0000 Buried
213 T L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -1.1822 Soluble
216 V L 0.0000 Buried
217 T L -1.2300 Soluble
218 Y L 0.0000 Buried
219 Q L -1.8755 Soluble
220 G L -1.5120 Soluble
221 H L -1.5255 Soluble
222 T L -1.2167 Soluble
223 F L -0.9663 Soluble
224 E L -2.1488 Soluble
225 D L -1.8807 Soluble
226 S L -1.6344 Soluble
227 G L 0.0000 Buried
228 K L -1.7514 Soluble
229 K L -1.1354 Soluble
230 C L -0.8014 Soluble
231 A L -0.3530 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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 -0.5499 2.6007 CSV PDB
4.5 -0.6111 2.5989 CSV PDB
5.0 -0.6825 2.5938 CSV PDB
5.5 -0.7527 2.5806 CSV PDB
6.0 -0.8108 2.5539 CSV PDB
6.5 -0.8506 2.5137 CSV PDB
7.0 -0.8747 2.4657 CSV PDB
7.5 -0.8892 2.4143 CSV PDB
8.0 -0.8975 2.3616 CSV PDB
8.5 -0.8983 2.3078 CSV PDB
9.0 -0.8892 2.2515 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH