Golimumab / 5yoy

A4DAB133_5yoy_H_E | Source PDB: 5yoy | Chains: H, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5821
Max Score
1.9393
Min Score
-2.7225
Total Score
-136.21
Score CDR
-0.2162
Score non-CDR
-0.6919

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) H (Heavy), E (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 -2.7225
Maximum Score 1.9393
Average Score -0.5821
Total Score -136.2127

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

Index Residue Chain A4D Score Classification
1 Q H -1.0069 Soluble
2 V H 0.2722 Aggregation-prone
3 Q H -0.5796 Soluble
4 L H 0.0000 Buried
5 V H 0.5900 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5709 Soluble
8 G H -0.9577 Soluble
9 G H -0.3849 Soluble
11 G H 0.4821 Aggregation-prone
12 V H 1.4250 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.2606 Soluble
15 P H -1.7900 Soluble
16 G H -1.9825 Soluble
17 R H -2.4797 Soluble
18 S H -1.9584 Soluble
19 L H -1.3685 Soluble
20 R H -2.2254 Soluble
21 L H 0.0000 Buried
22 S H -0.5241 Soluble
23 C H 0.0000 Buried
24 A H -0.2410 Soluble
25 A H 0.0000 Buried
26 S H -0.2015 Soluble
27 G H -0.0774 Soluble
28 F H 0.9363 Aggregation-prone
29 I H 1.9393 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.1176 Soluble
36 S H 0.2130 Aggregation-prone
37 Y H 0.2734 Aggregation-prone
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 -0.7202 Soluble
45 A H -1.1054 Soluble
46 P H -0.8773 Soluble
47 G H -1.2432 Soluble
48 N H -1.7791 Soluble
49 G H -1.0727 Soluble
50 L H 0.0000 Buried
51 E H -0.9403 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 F H 0.0000 Buried
56 M H 0.0000 Buried
57 S H -0.7445 Soluble
58 Y H -0.1786 Soluble
59 D H -1.7513 Soluble
62 G H -1.3677 Soluble
63 S H -1.3067 Soluble
64 N H -1.8929 Soluble
65 K H -2.0293 Soluble
66 K H -1.4242 Soluble
67 Y H -1.2522 Soluble
68 A H -1.4939 Soluble
69 D H -2.4900 Soluble
70 S H -1.6843 Soluble
71 V H 0.0000 Buried
72 K H -2.5636 Soluble
74 G H -1.6231 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -1.0713 Soluble
78 I H 0.0000 Buried
79 S H -0.7620 Soluble
80 R H -1.1584 Soluble
81 D H -2.0374 Soluble
82 N H -1.9946 Soluble
83 S H -1.8378 Soluble
84 K H -2.5093 Soluble
85 N H -1.5557 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.7307 Soluble
89 L H 0.0000 Buried
90 Q H -1.5637 Soluble
91 M H 0.0000 Buried
92 N H -1.6751 Soluble
93 S H -1.5027 Soluble
94 L H 0.0000 Buried
95 R H -2.3326 Soluble
96 A H -1.6230 Soluble
97 E H -2.1841 Soluble
98 D H 0.0000 Buried
99 T H -0.6256 Soluble
100 A H 0.0000 Buried
101 V H 0.0199 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 R H -0.6247 Soluble
107 D H 0.0000 Buried
108 R H -1.1358 Soluble
109 G H 0.0769 Aggregation-prone
110 I H 0.9609 Aggregation-prone
111 A H 0.4207 Aggregation-prone
111A A H 0.0300 Aggregation-prone
111B G H -0.6563 Soluble
111C G H -0.6576 Soluble
112C N H -0.4677 Soluble
112B Y H 0.4171 Aggregation-prone
112A Y H 0.0000 Buried
112 Y H 0.7811 Aggregation-prone
113 Y H 0.1727 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -1.5304 Soluble
117 V H -0.6601 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2949 Soluble
121 G H -0.6147 Soluble
122 T H -0.3077 Soluble
123 T H 0.0667 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0667 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.1969 Soluble
128 S H -0.4839 Soluble
1 E E -1.4651 Soluble
2 I E 0.0000 Buried
3 V E 0.8240 Aggregation-prone
4 L E 0.0000 Buried
5 T E -0.4488 Soluble
6 Q E 0.0000 Buried
7 S E -0.6478 Soluble
8 P E -0.3122 Soluble
9 A E -0.2422 Soluble
10 T E -0.3598 Soluble
11 L E -0.2318 Soluble
12 S E -0.5035 Soluble
13 L E -0.8718 Soluble
14 S E -1.3415 Soluble
15 P E -1.7360 Soluble
16 G E -1.9206 Soluble
17 E E -2.5720 Soluble
18 R E -2.7225 Soluble
19 A E 0.0000 Buried
20 T E -0.6896 Soluble
21 L E 0.0000 Buried
22 S E -0.9257 Soluble
23 C E 0.0000 Buried
24 R E -2.3900 Soluble
25 A E 0.0000 Buried
26 S E -1.1180 Soluble
27 Q E -1.6240 Soluble
28 S E -0.9081 Soluble
29 V E 0.0000 Buried
36 Y E 0.8387 Aggregation-prone
37 S E 0.2900 Aggregation-prone
38 Y E 0.5929 Aggregation-prone
39 L E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E 0.0000 Buried
45 K E -1.4837 Soluble
46 P E -1.0337 Soluble
47 G E -1.4519 Soluble
48 Q E -2.0533 Soluble
49 A E -1.3126 Soluble
50 P E 0.0000 Buried
51 R E -1.4229 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.3955 Soluble
56 D E -0.2305 Soluble
57 A E 0.0000 Buried
65 S E -1.0604 Soluble
66 N E -1.4030 Soluble
67 R E -1.6419 Soluble
68 A E -1.1133 Soluble
69 T E -0.7722 Soluble
70 G E -0.5891 Soluble
71 I E -0.5376 Soluble
72 P E -0.3917 Soluble
74 A E -0.4459 Soluble
75 R E -0.8639 Soluble
76 F E 0.0000 Buried
77 S E -0.7559 Soluble
78 G E -0.7332 Soluble
79 S E -0.8469 Soluble
80 G E -1.0450 Soluble
83 S E -0.7256 Soluble
84 G E -0.6535 Soluble
85 T E -1.5710 Soluble
86 D E -2.1794 Soluble
87 F E 0.0000 Buried
88 T E -0.8543 Soluble
89 L E 0.0000 Buried
90 T E -0.6798 Soluble
91 I E 0.0000 Buried
92 S E -1.6540 Soluble
93 S E -1.8528 Soluble
94 L E 0.0000 Buried
95 E E -2.1635 Soluble
96 P E -1.6780 Soluble
97 E E -2.3759 Soluble
98 D E 0.0000 Buried
99 F E -0.8785 Soluble
100 A E 0.0000 Buried
101 V E -0.2134 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 R E 0.0000 Buried
108 S E 0.0000 Buried
109 N E -0.3291 Soluble
113 W E 0.1110 Aggregation-prone
114 P E -0.2993 Soluble
115 P E -0.1760 Soluble
116 F E 0.0000 Buried
117 T E 0.0956 Aggregation-prone
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 P E -0.6301 Soluble
121 G E -0.4748 Soluble
122 T E 0.0000 Buried
123 K E -0.7185 Soluble
124 V E 0.0000 Buried
125 D E -0.6566 Soluble
126 I E -0.2832 Soluble
127 K E -1.3846 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 -0.5815 2.7085 CSV PDB
4.5 -0.6186 2.7085 CSV PDB
5.0 -0.6613 2.7085 CSV PDB
5.5 -0.7034 2.7085 CSV PDB
6.0 -0.7382 2.7085 CSV PDB
6.5 -0.7605 2.7085 CSV PDB
7.0 -0.7697 2.7085 CSV PDB
7.5 -0.7691 2.7085 CSV PDB
8.0 -0.7616 2.7084 CSV PDB
8.5 -0.7483 2.7084 CSV PDB
9.0 -0.7296 2.7084 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH