Golimumab / 5yoy

A4DAB133_5yoy_R_O | Source PDB: 5yoy | Chains: R, O | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5894
Max Score
2.0078
Min Score
-3.1922
Total Score
-137.91
Score CDR
—
Score non-CDR
—

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) R (Heavy), O (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 -3.1922
Maximum Score 2.0078
Average Score -0.5894
Total Score -137.9135

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

Index Residue Chain A4D Score Classification
1 Q R -0.8924 Soluble
2 V R 0.4943 Aggregation-prone
3 Q R -0.5060 Soluble
4 L R 0.0000 Buried
5 V R 0.3952 Aggregation-prone
6 E R 0.0000 Buried
7 S R -0.6097 Soluble
8 G R -0.9919 Soluble
9 G R -0.3997 Soluble
11 G R 0.5367 Aggregation-prone
12 V R 1.3349 Aggregation-prone
13 V R 0.0000 Buried
14 Q R -1.8763 Soluble
15 P R -2.2915 Soluble
16 G R -2.4098 Soluble
17 R R -2.9404 Soluble
18 S R -2.0361 Soluble
19 L R -1.4038 Soluble
20 R R -2.0983 Soluble
21 L R 0.0000 Buried
22 S R -0.5194 Soluble
23 C R 0.0000 Buried
24 A R -0.3159 Soluble
25 A R 0.0000 Buried
26 S R 0.0786 Aggregation-prone
27 G R 0.1208 Aggregation-prone
28 F R 1.0460 Aggregation-prone
29 I R 2.0078 Aggregation-prone
30 F R 0.0000 Buried
35 S R -0.0925 Soluble
36 S R 0.2394 Aggregation-prone
37 Y R 0.3491 Aggregation-prone
38 A R 0.0000 Buried
39 M R 0.0000 Buried
40 H R 0.0000 Buried
41 W R 0.0000 Buried
42 V R 0.0000 Buried
43 R R 0.0000 Buried
44 Q R -0.7570 Soluble
45 A R -1.1190 Soluble
46 P R -0.8787 Soluble
47 G R -1.2457 Soluble
48 N R -1.7890 Soluble
49 G R -1.0904 Soluble
50 L R 0.0000 Buried
51 E R -1.0037 Soluble
52 W R 0.0000 Buried
53 V R 0.0000 Buried
54 A R 0.0000 Buried
55 F R 0.0000 Buried
56 M R 0.0000 Buried
57 S R 0.0000 Buried
58 Y R -0.1190 Soluble
59 D R -1.6217 Soluble
62 G R -1.3279 Soluble
63 S R -1.2734 Soluble
64 N R -1.7977 Soluble
65 K R -1.6988 Soluble
66 K R -1.3700 Soluble
67 Y R -1.2776 Soluble
68 A R -1.5182 Soluble
69 D R -2.5105 Soluble
70 S R -1.7858 Soluble
71 V R 0.0000 Buried
72 K R -2.6770 Soluble
74 G R -1.8180 Soluble
75 R R -1.4274 Soluble
76 F R 0.0000 Buried
77 T R -1.0118 Soluble
78 I R 0.0000 Buried
79 S R -0.7371 Soluble
80 R R -1.1121 Soluble
81 D R -1.8878 Soluble
82 N R -1.7399 Soluble
83 S R -1.7046 Soluble
84 K R -2.4336 Soluble
85 N R -1.5012 Soluble
86 T R -1.0824 Soluble
87 L R 0.0000 Buried
88 Y R -0.6136 Soluble
89 L R 0.0000 Buried
90 Q R -1.2370 Soluble
91 M R 0.0000 Buried
92 N R -2.0452 Soluble
93 S R -2.0036 Soluble
94 L R 0.0000 Buried
95 R R -3.1922 Soluble
96 A R -2.1048 Soluble
97 E R -2.4560 Soluble
98 D R 0.0000 Buried
99 T R -0.7870 Soluble
100 A R 0.0000 Buried
101 V R -0.0365 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 A R 0.0000 Buried
106 R R -0.6430 Soluble
107 D R 0.0000 Buried
108 R R -0.8680 Soluble
109 G R 0.2977 Aggregation-prone
110 I R 1.1716 Aggregation-prone
111 A R 0.5229 Aggregation-prone
111A A R 0.0675 Aggregation-prone
111B G R -0.6672 Soluble
111C G R -0.5835 Soluble
112C N R -0.5016 Soluble
112B Y R 0.4211 Aggregation-prone
112A Y R 0.0000 Buried
112 Y R 0.8683 Aggregation-prone
113 Y R 0.2392 Aggregation-prone
114 G R 0.0000 Buried
115 M R 0.0000 Buried
116 D R -1.6244 Soluble
117 V R -0.6661 Soluble
118 W R 0.0000 Buried
119 G R 0.0000 Buried
120 Q R -1.2717 Soluble
121 G R -0.6125 Soluble
122 T R -0.3344 Soluble
123 T R 0.0859 Aggregation-prone
124 V R 0.0000 Buried
125 T R -0.1121 Soluble
126 V R 0.0000 Buried
127 S R -0.5133 Soluble
128 S R -0.7923 Soluble
1 E O -1.4930 Soluble
2 I O 0.0000 Buried
3 V O 0.8048 Aggregation-prone
4 L O 0.0000 Buried
5 T O -0.5385 Soluble
6 Q O 0.0000 Buried
7 S O -0.5727 Soluble
8 P O -0.3204 Soluble
9 A O -0.3320 Soluble
10 T O -0.4609 Soluble
11 L O -0.3027 Soluble
12 S O -0.4320 Soluble
13 L O -0.5620 Soluble
14 S O -0.9739 Soluble
15 P O -1.3742 Soluble
16 G O -1.9029 Soluble
17 E O -2.5604 Soluble
18 R O -2.6695 Soluble
19 A O 0.0000 Buried
20 T O -0.7069 Soluble
21 L O 0.0000 Buried
22 S O -0.8412 Soluble
23 C O 0.0000 Buried
24 R O -2.2934 Soluble
25 A O 0.0000 Buried
26 S O -1.0506 Soluble
27 Q O -1.5112 Soluble
28 S O -0.8687 Soluble
29 V O 0.0000 Buried
36 Y O 0.8626 Aggregation-prone
37 S O 0.3266 Aggregation-prone
38 Y O 0.6222 Aggregation-prone
39 L O 0.0000 Buried
40 A O 0.0000 Buried
41 W O 0.0000 Buried
42 Y O 0.0000 Buried
43 Q O 0.0000 Buried
44 Q O 0.0000 Buried
45 K O -1.7501 Soluble
46 P O -1.2112 Soluble
47 G O -1.3225 Soluble
48 Q O -2.1238 Soluble
49 A O -1.5222 Soluble
50 P O 0.0000 Buried
51 R O -2.2737 Soluble
52 L O 0.0000 Buried
53 L O 0.0000 Buried
54 I O 0.0000 Buried
55 Y O -0.3688 Soluble
56 D O -0.2345 Soluble
57 A O 0.0000 Buried
65 S O -1.0503 Soluble
66 N O -1.3732 Soluble
67 R O -1.4780 Soluble
68 A O -1.1277 Soluble
69 T O -0.7163 Soluble
70 G O -0.5538 Soluble
71 I O -0.5560 Soluble
72 P O -0.3595 Soluble
74 A O -0.3771 Soluble
75 R O -0.7578 Soluble
76 F O 0.0000 Buried
77 S O -0.6901 Soluble
78 G O 0.0000 Buried
79 S O -0.7843 Soluble
80 G O -0.9146 Soluble
83 S O -0.6060 Soluble
84 G O -0.5243 Soluble
85 T O -1.4189 Soluble
86 D O -1.9072 Soluble
87 F O 0.0000 Buried
88 T O -0.7652 Soluble
89 L O 0.0000 Buried
90 T O -0.6373 Soluble
91 I O 0.0000 Buried
92 S O -1.4486 Soluble
93 S O -1.7870 Soluble
94 L O 0.0000 Buried
95 E O -1.9849 Soluble
96 P O -1.5569 Soluble
97 E O -2.3642 Soluble
98 D O 0.0000 Buried
99 F O -0.8256 Soluble
100 A O 0.0000 Buried
101 V O -0.4094 Soluble
102 Y O 0.0000 Buried
103 Y O 0.0000 Buried
104 C O 0.0000 Buried
105 Q O 0.0000 Buried
106 Q O 0.0000 Buried
107 R O 0.0000 Buried
108 S O 0.0000 Buried
109 N O -0.4437 Soluble
113 W O -0.1226 Soluble
114 P O -0.3726 Soluble
115 P O -0.4128 Soluble
116 F O 0.0000 Buried
117 T O 0.0880 Aggregation-prone
118 F O 0.0000 Buried
119 G O 0.0000 Buried
120 P O -0.4772 Soluble
121 G O -0.5493 Soluble
122 T O 0.0000 Buried
123 K O -1.1392 Soluble
124 V O 0.0000 Buried
125 D O -0.6767 Soluble
126 I O 0.3274 Aggregation-prone
127 K O -1.1132 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 -0.6141 2.7048 CSV PDB
4.5 -0.6531 2.7048 CSV PDB
5.0 -0.6964 2.7048 CSV PDB
5.5 -0.7377 2.7048 CSV PDB
6.0 -0.7701 2.7048 CSV PDB
6.5 -0.7888 2.7048 CSV PDB
7.0 -0.7941 2.7048 CSV PDB
7.5 -0.7904 2.7048 CSV PDB
8.0 -0.78 2.7048 CSV PDB
8.5 -0.7635 2.7048 CSV PDB
9.0 -0.7417 2.7047 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH