Golimumab / 5yoy

A4DAB133_5yoy_G_D | Source PDB: 5yoy | Chains: G, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6066
Max Score
1.9845
Min Score
-3.2159
Total Score
-141.93
Score CDR
-0.1708
Score non-CDR
-0.7373

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) G (Heavy), D (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 -3.2159
Maximum Score 1.9845
Average Score -0.6066
Total Score -141.9343

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

Index Residue Chain A4D Score Classification
1 Q G -1.0557 Soluble
2 V G 0.1771 Aggregation-prone
3 Q G -0.6303 Soluble
4 L G 0.0000 Buried
5 V G 0.5895 Aggregation-prone
6 E G 0.0000 Buried
7 S G -0.5796 Soluble
8 G G -0.9755 Soluble
9 G G -0.3828 Soluble
11 G G 0.4772 Aggregation-prone
12 V G 1.2970 Aggregation-prone
13 V G 0.0000 Buried
14 Q G -1.8006 Soluble
15 P G -2.1236 Soluble
16 G G -2.4167 Soluble
17 R G -2.8442 Soluble
18 S G -2.1719 Soluble
19 L G -1.4325 Soluble
20 R G -2.0181 Soluble
21 L G 0.0000 Buried
22 S G -0.4688 Soluble
23 C G 0.0000 Buried
24 A G -0.2657 Soluble
25 A G 0.0000 Buried
26 S G -0.0253 Soluble
27 G G -0.0424 Soluble
28 F G 0.9434 Aggregation-prone
29 I G 1.9845 Aggregation-prone
30 F G 0.0000 Buried
35 S G 0.2026 Aggregation-prone
36 S G 0.2531 Aggregation-prone
37 Y G 0.3372 Aggregation-prone
38 A G 0.0000 Buried
39 M G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.7359 Soluble
45 A G -1.0983 Soluble
46 P G -0.8754 Soluble
47 G G -1.2422 Soluble
48 N G -1.7831 Soluble
49 G G -1.1026 Soluble
50 L G 0.0000 Buried
51 E G -0.9966 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 A G 0.0000 Buried
55 F G 0.0000 Buried
56 M G 0.0000 Buried
57 S G -0.7040 Soluble
58 Y G -0.0646 Soluble
59 D G -1.6194 Soluble
62 G G -1.3410 Soluble
63 S G -1.3126 Soluble
64 N G -1.9264 Soluble
65 K G -2.0885 Soluble
66 K G -1.4616 Soluble
67 Y G -1.3273 Soluble
68 A G -1.5248 Soluble
69 D G -2.5525 Soluble
70 S G -1.8036 Soluble
71 V G 0.0000 Buried
72 K G -2.6870 Soluble
74 G G -1.9132 Soluble
75 R G -1.8581 Soluble
76 F G 0.0000 Buried
77 T G -1.1523 Soluble
78 I G 0.0000 Buried
79 S G -0.6460 Soluble
80 R G -1.0115 Soluble
81 D G -1.7158 Soluble
82 N G -1.6103 Soluble
83 S G -1.6485 Soluble
84 K G -2.3677 Soluble
85 N G -1.4574 Soluble
86 T G -1.0296 Soluble
87 L G 0.0000 Buried
88 Y G -0.5350 Soluble
89 L G 0.0000 Buried
90 Q G -1.4312 Soluble
91 M G 0.0000 Buried
92 N G -2.6464 Soluble
93 S G -2.2445 Soluble
94 L G 0.0000 Buried
95 R G -3.2159 Soluble
96 A G -2.0564 Soluble
97 E G -2.4198 Soluble
98 D G 0.0000 Buried
99 T G -0.7739 Soluble
100 A G 0.0000 Buried
101 V G -0.0254 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G -0.6986 Soluble
107 D G 0.0000 Buried
108 R G -0.8653 Soluble
109 G G 0.2764 Aggregation-prone
110 I G 1.2627 Aggregation-prone
111 A G 0.5952 Aggregation-prone
111A A G 0.1088 Aggregation-prone
111B G G -0.4695 Soluble
111C G G -0.5639 Soluble
112C N G -0.4736 Soluble
112B Y G 0.4716 Aggregation-prone
112A Y G 0.0000 Buried
112 Y G 0.8780 Aggregation-prone
113 Y G 0.1867 Aggregation-prone
114 G G 0.0000 Buried
115 M G 0.0000 Buried
116 D G -1.1718 Soluble
117 V G -0.3050 Soluble
118 W G -0.3973 Soluble
119 G G 0.0000 Buried
120 Q G -1.2020 Soluble
121 G G -0.4997 Soluble
122 T G -0.3235 Soluble
123 T G -0.0663 Soluble
124 V G 0.0000 Buried
125 T G -0.0892 Soluble
126 V G 0.0000 Buried
127 S G -0.4821 Soluble
128 S G -0.6118 Soluble
1 E D -1.4243 Soluble
2 I D 0.0000 Buried
3 V D 0.9367 Aggregation-prone
4 L D 0.2302 Aggregation-prone
5 T D -0.4804 Soluble
6 Q D 0.0000 Buried
7 S D -0.7641 Soluble
8 P D -0.4546 Soluble
9 A D -0.4999 Soluble
10 T D -0.9066 Soluble
11 L D -0.5308 Soluble
12 S D -0.6322 Soluble
13 L D -0.6766 Soluble
14 S D -1.0552 Soluble
15 P D -1.4993 Soluble
16 G D -1.8995 Soluble
17 E D -2.5604 Soluble
18 R D -2.6628 Soluble
19 A D 0.0000 Buried
20 T D -0.5653 Soluble
21 L D 0.0000 Buried
22 S D -0.9108 Soluble
23 C D 0.0000 Buried
24 R D -2.2484 Soluble
25 A D 0.0000 Buried
26 S D -0.8839 Soluble
27 Q D -1.1948 Soluble
28 S D -0.7032 Soluble
29 V D 0.0000 Buried
36 Y D 0.8909 Aggregation-prone
37 S D 0.2699 Aggregation-prone
38 Y D 0.5437 Aggregation-prone
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.3652 Soluble
46 P D -0.8071 Soluble
47 G D -1.1098 Soluble
48 Q D -1.3829 Soluble
49 A D -0.9705 Soluble
50 P D 0.0000 Buried
51 R D -1.2456 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.7415 Soluble
56 D D -0.5597 Soluble
57 A D 0.0000 Buried
65 S D -1.3827 Soluble
66 N D -2.1172 Soluble
67 R D -2.2704 Soluble
68 A D -1.3827 Soluble
69 T D -0.8628 Soluble
70 G D -0.6223 Soluble
71 I D -0.5701 Soluble
72 P D -0.3889 Soluble
74 A D -0.4166 Soluble
75 R D -0.8305 Soluble
76 F D 0.0000 Buried
77 S D -0.7924 Soluble
78 G D -0.8927 Soluble
79 S D -0.8617 Soluble
80 G D -0.9388 Soluble
83 S D -0.6715 Soluble
84 G D -0.5129 Soluble
85 T D -1.3796 Soluble
86 D D -1.9792 Soluble
87 F D 0.0000 Buried
88 T D -0.7953 Soluble
89 L D 0.0000 Buried
90 T D -0.6012 Soluble
91 I D 0.0000 Buried
92 S D -1.4222 Soluble
93 S D -1.8122 Soluble
94 L D 0.0000 Buried
95 E D -2.1803 Soluble
96 P D -1.6628 Soluble
97 E D -2.3648 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 V D -0.7658 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 R D 0.0000 Buried
108 S D 0.0000 Buried
109 N D -0.3461 Soluble
113 W D 0.0351 Aggregation-prone
114 P D -0.3553 Soluble
115 P D -0.3828 Soluble
116 F D 0.0000 Buried
117 T D 0.1072 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 P D -0.5480 Soluble
121 G D -0.7444 Soluble
122 T D 0.0000 Buried
123 K D -1.7183 Soluble
124 V D 0.0000 Buried
125 D D -0.8783 Soluble
126 I D -0.0818 Soluble
127 K D -1.2614 Soluble

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 -0.6414 2.7062 CSV PDB
4.5 -0.6776 2.7062 CSV PDB
5.0 -0.7181 2.7062 CSV PDB
5.5 -0.7573 2.7062 CSV PDB
6.0 -0.7883 2.7062 CSV PDB
6.5 -0.8056 2.7062 CSV PDB
7.0 -0.809 2.7062 CSV PDB
7.5 -0.8019 2.7062 CSV PDB
8.0 -0.7871 2.7062 CSV PDB
8.5 -0.7658 2.7062 CSV PDB
9.0 -0.7395 2.7061 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH