Golimumab / 5yoy

A4DAB133_5yoy_Q_N | Source PDB: 5yoy | Chains: Q, N | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5602
Max Score
1.9868
Min Score
-2.6721
Total Score
-131.08
Score CDR
-0.1403
Score non-CDR
-0.6861

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) Q (Heavy), N (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 -2.6721
Maximum Score 1.9868
Average Score -0.5602
Total Score -131.0768

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

Index Residue Chain A4D Score Classification
1 Q Q -1.0138 Soluble
2 V Q 0.2564 Aggregation-prone
3 Q Q -0.5765 Soluble
4 L Q 0.0000 Buried
5 V Q 0.5379 Aggregation-prone
6 E Q 0.0000 Buried
7 S Q -0.5839 Soluble
8 G Q -0.9778 Soluble
9 G Q -0.4038 Soluble
11 G Q 0.4991 Aggregation-prone
12 V Q 1.3627 Aggregation-prone
13 V Q 0.0000 Buried
14 Q Q -1.5401 Soluble
15 P Q -1.9224 Soluble
16 G Q -1.9785 Soluble
17 R Q -2.5571 Soluble
18 S Q -1.8886 Soluble
19 L Q -1.3873 Soluble
20 R Q -2.1598 Soluble
21 L Q 0.0000 Buried
22 S Q -0.5135 Soluble
23 C Q 0.0000 Buried
24 A Q -0.2464 Soluble
25 A Q 0.0000 Buried
26 S Q -0.2012 Soluble
27 G Q -0.0194 Soluble
28 F Q 0.9721 Aggregation-prone
29 I Q 1.9868 Aggregation-prone
30 F Q 0.0000 Buried
35 S Q -0.0108 Soluble
36 S Q 0.3290 Aggregation-prone
37 Y Q 0.4193 Aggregation-prone
38 A Q 0.0000 Buried
39 M Q 0.0000 Buried
40 H Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q 0.0000 Buried
44 Q Q -0.7608 Soluble
45 A Q -1.1139 Soluble
46 P Q -0.8883 Soluble
47 G Q -1.2477 Soluble
48 N Q -1.7853 Soluble
49 G Q -1.0685 Soluble
50 L Q 0.0000 Buried
51 E Q -0.9450 Soluble
52 W Q 0.0000 Buried
53 V Q 0.0000 Buried
54 A Q 0.0000 Buried
55 F Q 0.0000 Buried
56 M Q 0.0000 Buried
57 S Q 0.0000 Buried
58 Y Q -0.1081 Soluble
59 D Q -1.7369 Soluble
62 G Q -1.3763 Soluble
63 S Q -1.3343 Soluble
64 N Q -1.8926 Soluble
65 K Q -1.8791 Soluble
66 K Q -1.3393 Soluble
67 Y Q -1.2475 Soluble
68 A Q -1.5041 Soluble
69 D Q -2.5462 Soluble
70 S Q -1.7744 Soluble
71 V Q 0.0000 Buried
72 K Q -2.6721 Soluble
74 G Q -1.7671 Soluble
75 R Q -1.6513 Soluble
76 F Q 0.0000 Buried
77 T Q -1.0377 Soluble
78 I Q 0.0000 Buried
79 S Q -0.6676 Soluble
80 R Q -0.9981 Soluble
81 D Q -1.6705 Soluble
82 N Q -1.5659 Soluble
83 S Q -1.6224 Soluble
84 K Q -2.3795 Soluble
85 N Q -1.4670 Soluble
86 T Q -1.0034 Soluble
87 L Q 0.0000 Buried
88 Y Q -0.6034 Soluble
89 L Q 0.0000 Buried
90 Q Q -1.4149 Soluble
91 M Q 0.0000 Buried
92 N Q -1.7463 Soluble
93 S Q -1.5539 Soluble
94 L Q 0.0000 Buried
95 R Q -2.5462 Soluble
96 A Q -1.7485 Soluble
97 E Q -2.2789 Soluble
98 D Q 0.0000 Buried
99 T Q -0.6662 Soluble
100 A Q 0.0000 Buried
101 V Q -0.0109 Soluble
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 R Q -0.3892 Soluble
107 D Q 0.0000 Buried
108 R Q -0.5527 Soluble
109 G Q 0.3114 Aggregation-prone
110 I Q 1.0523 Aggregation-prone
111 A Q 0.4987 Aggregation-prone
111A A Q 0.0463 Aggregation-prone
111B G Q -0.5168 Soluble
111C G Q -0.5897 Soluble
112C N Q -0.4474 Soluble
112B Y Q 0.4346 Aggregation-prone
112A Y Q 0.0000 Buried
112 Y Q 0.8881 Aggregation-prone
113 Y Q 0.3648 Aggregation-prone
114 G Q 0.0000 Buried
115 M Q 0.0000 Buried
116 D Q -0.8837 Soluble
117 V Q -0.2479 Soluble
118 W Q 0.0000 Buried
119 G Q 0.0000 Buried
120 Q Q -1.3326 Soluble
121 G Q -0.6173 Soluble
122 T Q -0.3172 Soluble
123 T Q -0.0600 Soluble
124 V Q 0.0000 Buried
125 T Q -0.0024 Soluble
126 V Q 0.0000 Buried
127 S Q -0.5152 Soluble
128 S Q -0.6118 Soluble
1 E N -1.4667 Soluble
2 I N 0.0000 Buried
3 V N 0.8711 Aggregation-prone
4 L N -0.0025 Soluble
5 T N -0.4981 Soluble
6 Q N 0.0000 Buried
7 S N -0.6700 Soluble
8 P N -0.3630 Soluble
9 A N -0.3243 Soluble
10 T N -0.4526 Soluble
11 L N -0.0358 Soluble
12 S N -0.2791 Soluble
13 L N -0.4867 Soluble
14 S N -0.9488 Soluble
15 P N -1.5853 Soluble
16 G N -1.9152 Soluble
17 E N -2.5229 Soluble
18 R N -2.6293 Soluble
19 A N 0.0000 Buried
20 T N -0.5538 Soluble
21 L N 0.0000 Buried
22 S N -0.8916 Soluble
23 C N 0.0000 Buried
24 R N -2.3124 Soluble
25 A N 0.0000 Buried
26 S N -0.9950 Soluble
27 Q N -1.5106 Soluble
28 S N -0.8929 Soluble
29 V N 0.0000 Buried
36 Y N 0.8465 Aggregation-prone
37 S N 0.3034 Aggregation-prone
38 Y N 0.6080 Aggregation-prone
39 L N 0.0000 Buried
40 A N 0.0000 Buried
41 W N 0.0000 Buried
42 Y N 0.0000 Buried
43 Q N 0.0000 Buried
44 Q N 0.0000 Buried
45 K N -1.5168 Soluble
46 P N -0.9878 Soluble
47 G N -1.3882 Soluble
48 Q N -1.9121 Soluble
49 A N -1.2436 Soluble
50 P N 0.0000 Buried
51 R N -1.2189 Soluble
52 L N 0.0000 Buried
53 L N 0.0000 Buried
54 I N 0.0000 Buried
55 Y N -0.3204 Soluble
56 D N -0.2394 Soluble
57 A N 0.0000 Buried
65 S N -1.0445 Soluble
66 N N -1.3665 Soluble
67 R N -1.5320 Soluble
68 A N -0.9464 Soluble
69 T N -0.6539 Soluble
70 G N -0.5592 Soluble
71 I N -0.4619 Soluble
72 P N -0.3278 Soluble
74 A N -0.3488 Soluble
75 R N -0.8137 Soluble
76 F N 0.0000 Buried
77 S N -0.6857 Soluble
78 G N -0.7333 Soluble
79 S N -0.8441 Soluble
80 G N -1.0120 Soluble
83 S N -0.7090 Soluble
84 G N -0.6056 Soluble
85 T N -1.5200 Soluble
86 D N -2.1513 Soluble
87 F N 0.0000 Buried
88 T N -0.8329 Soluble
89 L N 0.0000 Buried
90 T N -0.6059 Soluble
91 I N 0.0000 Buried
92 S N -1.4122 Soluble
93 S N -1.7905 Soluble
94 L N 0.0000 Buried
95 E N -2.3239 Soluble
96 P N -1.6184 Soluble
97 E N -2.4296 Soluble
98 D N 0.0000 Buried
99 F N -0.7620 Soluble
100 A N 0.0000 Buried
101 V N -0.3419 Soluble
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 Q N 0.0000 Buried
106 Q N 0.0000 Buried
107 R N 0.0000 Buried
108 S N 0.0000 Buried
109 N N -0.4170 Soluble
113 W N -0.0885 Soluble
114 P N -0.3467 Soluble
115 P N -0.2171 Soluble
116 F N 0.0000 Buried
117 T N 0.1068 Aggregation-prone
118 F N 0.0000 Buried
119 G N 0.0000 Buried
120 P N -0.6310 Soluble
121 G N -0.5397 Soluble
122 T N 0.0000 Buried
123 K N -1.1230 Soluble
124 V N 0.0000 Buried
125 D N -0.4773 Soluble
126 I N 0.4526 Aggregation-prone
127 K N -1.1027 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 -0.5621 2.7473 CSV PDB
4.5 -0.5968 2.7473 CSV PDB
5.0 -0.6371 2.7473 CSV PDB
5.5 -0.6773 2.7473 CSV PDB
6.0 -0.7104 2.7473 CSV PDB
6.5 -0.7307 2.7473 CSV PDB
7.0 -0.737 2.7473 CSV PDB
7.5 -0.7326 2.7473 CSV PDB
8.0 -0.721 2.7473 CSV PDB
8.5 -0.7035 2.7472 CSV PDB
9.0 -0.6811 2.747 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH