Adalimumab / 4nyl

A4DAB005_4nyl_E_F | Source PDB: 4nyl | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.594
Max Score
2.6501
Min Score
-2.8787
Total Score
-169.9
Score CDR
-0.5317
Score non-CDR
-0.6066

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSDIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTSVTEQDSKDSTYSLS input.pdb
Selected Chain(s) E (Heavy), F (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 -2.8787
Maximum Score 2.6501
Average Score -0.594
Total Score -169.8974

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

Index Residue Chain A4D Score Classification
1 E E -2.1440 Soluble
2 V E -1.3011 Soluble
3 Q E -1.2577 Soluble
4 L E 0.0000 Buried
5 V E 1.0581 Aggregation-prone
6 E E 0.1076 Aggregation-prone
7 S E -0.3012 Soluble
8 G E -0.9689 Soluble
9 G E -0.5446 Soluble
11 G E -0.0985 Soluble
12 L E -0.0333 Soluble
13 V E 0.0000 Buried
14 Q E -1.9649 Soluble
15 P E -2.0386 Soluble
16 G E -2.2647 Soluble
17 R E -2.8787 Soluble
18 S E -2.1861 Soluble
19 L E -1.6307 Soluble
20 R E -2.1544 Soluble
21 L E 0.0000 Buried
22 S E -0.4497 Soluble
23 C E 0.0000 Buried
24 A E -0.1746 Soluble
25 A E 0.0000 Buried
26 S E -0.8481 Soluble
27 G E -1.2730 Soluble
28 F E -0.7626 Soluble
29 T E -0.9182 Soluble
30 F E 0.0000 Buried
35 D E -2.7212 Soluble
36 D E -1.2155 Soluble
37 Y E -0.0373 Soluble
38 A E 0.0000 Buried
39 M E 0.0000 Buried
40 H E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.8236 Soluble
45 A E -1.2160 Soluble
46 P E -1.0175 Soluble
47 G E -1.5058 Soluble
48 K E -2.4079 Soluble
49 G E -1.7470 Soluble
50 L E 0.0000 Buried
51 E E -1.2258 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 S E 0.0000 Buried
55 A E 0.0000 Buried
56 I E 0.0000 Buried
57 T E 0.0000 Buried
58 W E -1.0034 Soluble
59 N E -2.0131 Soluble
62 S E -1.2037 Soluble
63 G E -1.2249 Soluble
64 H E -1.2372 Soluble
65 I E -0.2729 Soluble
66 D E -1.0397 Soluble
67 Y E -0.9116 Soluble
68 A E 0.0000 Buried
69 D E -2.5089 Soluble
70 S E -1.6918 Soluble
71 V E 0.0000 Buried
72 E E -2.7360 Soluble
74 G E -1.8120 Soluble
75 R E -1.4018 Soluble
76 F E 0.0000 Buried
77 T E -0.9290 Soluble
78 I E 0.0000 Buried
79 S E -0.4409 Soluble
80 R E -1.1840 Soluble
81 D E -1.7491 Soluble
82 N E -2.1774 Soluble
83 A E -1.5371 Soluble
84 K E -2.3793 Soluble
85 N E -2.0334 Soluble
86 S E 0.0000 Buried
87 L E 0.0000 Buried
88 Y E -0.6508 Soluble
89 L E 0.0000 Buried
90 Q E -1.7701 Soluble
91 M E 0.0000 Buried
92 N E -2.3066 Soluble
93 S E -1.7987 Soluble
94 L E 0.0000 Buried
95 R E -2.5721 Soluble
96 A E -1.7266 Soluble
97 E E -2.2618 Soluble
98 D E 0.0000 Buried
99 T E -0.8417 Soluble
100 A E 0.0000 Buried
101 V E 0.1829 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 K E 0.0000 Buried
107 V E 0.0000 Buried
108 S E 0.8648 Aggregation-prone
109 Y E 1.9086 Aggregation-prone
110 L E 2.0518 Aggregation-prone
111 S E 1.0436 Aggregation-prone
112A T E 0.2284 Aggregation-prone
112 A E -0.1154 Soluble
113 S E 0.0000 Buried
114 S E 0.0000 Buried
115 L E 0.0000 Buried
116 D E -0.3193 Soluble
117 Y E -0.3989 Soluble
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.3970 Soluble
121 G E -0.5957 Soluble
122 T E -0.1223 Soluble
123 L E -0.0547 Soluble
124 V E 0.0000 Buried
125 T E -0.4930 Soluble
126 V E 0.0000 Buried
127 S E -0.6354 Soluble
128 S E -0.6469 Soluble
129 A E -0.5504 Soluble
130 S E -0.7920 Soluble
131 T E -1.0875 Soluble
132 K E -2.1874 Soluble
133 G E -1.7931 Soluble
134 P E -1.5902 Soluble
135 K E -2.0107 Soluble
136 D E -1.9471 Soluble
137 Y E 0.0000 Buried
138 F E 0.0000 Buried
139 P E -0.5930 Soluble
140 E E -0.3537 Soluble
141 P E 0.1465 Aggregation-prone
142 V E 0.9537 Aggregation-prone
143 T E 1.2184 Aggregation-prone
144 V E 2.0066 Aggregation-prone
145 S E 1.0412 Aggregation-prone
146 W E 1.1672 Aggregation-prone
147 N E -0.4306 Soluble
148 S E -0.3473 Soluble
149 G E -0.4004 Soluble
150 A E 0.2109 Aggregation-prone
151 L E 1.2134 Aggregation-prone
152 T E 0.4667 Aggregation-prone
153 S E 0.0696 Aggregation-prone
154 G E -0.1765 Soluble
155 V E 0.5460 Aggregation-prone
156 H E 0.3226 Aggregation-prone
157 T E 0.7859 Aggregation-prone
158 F E 1.7512 Aggregation-prone
159 P E 1.1947 Aggregation-prone
160 A E 1.2081 Aggregation-prone
161 V E 1.9068 Aggregation-prone
162 L E 1.6939 Aggregation-prone
163 Q E 0.3931 Aggregation-prone
164 S E 0.0917 Aggregation-prone
165 S E -0.2737 Soluble
166 G E -0.2662 Soluble
167 L E -0.5650 Soluble
168 Y E 0.1375 Aggregation-prone
169 S E -0.1856 Soluble
1 D F -2.3030 Soluble
2 I F 0.0000 Buried
3 Q F -2.1963 Soluble
4 M F 0.0000 Buried
5 T F -1.3108 Soluble
6 Q F -0.9943 Soluble
7 S F -0.5976 Soluble
8 P F -0.4353 Soluble
9 S F -0.7624 Soluble
10 S F -0.7147 Soluble
11 L F -0.6327 Soluble
12 S F -1.1231 Soluble
13 A F 0.0000 Buried
14 S F -0.8878 Soluble
15 V F 0.1965 Aggregation-prone
16 G F -0.4584 Soluble
17 D F -1.2799 Soluble
18 R F -1.9891 Soluble
19 V F -0.8275 Soluble
20 T F -0.3985 Soluble
21 I F 0.0000 Buried
22 T F -0.7589 Soluble
23 C F 0.0000 Buried
24 R F -2.1916 Soluble
25 A F 0.0000 Buried
26 S F -2.0096 Soluble
27 Q F -2.5148 Soluble
28 G F -2.1633 Soluble
29 I F 0.0000 Buried
36 R F -2.8017 Soluble
37 N F -1.9059 Soluble
38 Y F -1.0315 Soluble
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F 0.0000 Buried
45 K F -2.1801 Soluble
46 P F -1.6606 Soluble
47 G F -1.6492 Soluble
48 K F -2.4912 Soluble
49 A F -1.7542 Soluble
50 P F 0.0000 Buried
51 K F -1.6804 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.1014 Aggregation-prone
56 A F -0.3921 Soluble
57 A F 0.0000 Buried
65 S F -0.2972 Soluble
66 T F 0.0294 Aggregation-prone
67 L F 0.2944 Aggregation-prone
68 Q F -0.2815 Soluble
69 S F -0.3615 Soluble
70 G F -0.5066 Soluble
71 V F -0.2069 Soluble
72 P F -0.3849 Soluble
74 S F -0.4191 Soluble
75 R F -0.7007 Soluble
76 F F 0.0000 Buried
77 S F -0.2580 Soluble
78 G F -0.2565 Soluble
79 S F -0.8636 Soluble
80 G F -1.6425 Soluble
83 S F -2.0181 Soluble
84 G F -2.2529 Soluble
85 T F -2.3465 Soluble
86 D F -2.8757 Soluble
87 F F 0.0000 Buried
88 T F -0.7941 Soluble
89 L F 0.0000 Buried
90 T F -0.4573 Soluble
91 I F 0.0000 Buried
92 S F -1.2671 Soluble
93 S F -0.9164 Soluble
94 L F 0.0000 Buried
95 Q F -0.9410 Soluble
96 P F -1.7389 Soluble
97 E F -2.5348 Soluble
98 D F 0.0000 Buried
99 V F 0.0000 Buried
100 A F 0.0000 Buried
101 T F -0.8299 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 R F 0.0000 Buried
107 Y F 0.0000 Buried
108 N F -1.6205 Soluble
109 R F -2.0862 Soluble
114 A F 0.0000 Buried
115 P F -1.3028 Soluble
116 Y F 0.0000 Buried
117 T F -0.7841 Soluble
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.8315 Soluble
121 G F -1.2273 Soluble
122 T F 0.0000 Buried
123 K F -1.1948 Soluble
124 V F 0.0000 Buried
125 E F -1.9185 Soluble
126 I F 0.0000 Buried
127 K F -2.5599 Soluble
128 R F -2.6773 Soluble
129 T F -1.3367 Soluble
130 S F 1.5835 Aggregation-prone
131 V F 2.6501 Aggregation-prone
132 T F 1.0450 Aggregation-prone
133 E F -0.6993 Soluble
134 Q F -1.0069 Soluble
135 D F -1.8967 Soluble
136 S F -2.4614 Soluble
137 K F -2.8465 Soluble
138 D F -2.1287 Soluble
139 S F -2.3369 Soluble
140 T F -1.0931 Soluble
141 Y F 1.1775 Aggregation-prone
142 S F 1.5680 Aggregation-prone
143 L F 2.4578 Aggregation-prone
144 S F 1.1406 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.55 3.5437 CSV PDB
4.5 -0.5937 3.5123 CSV PDB
5.0 -0.6445 3.4742 CSV PDB
5.5 -0.6931 3.4409 CSV PDB
6.0 -0.7305 3.4202 CSV PDB
6.5 -0.7518 3.4115 CSV PDB
7.0 -0.7579 3.4091 CSV PDB
7.5 -0.7538 3.4087 CSV PDB
8.0 -0.7434 3.4087 CSV PDB
8.5 -0.727 3.4086 CSV PDB
9.0 -0.7035 3.4086 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH