Golimumab / 5yoy

A4DAB133_5yoy_P_M | Source PDB: 5yoy | Chains: P, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5802
Max Score
2.0098
Min Score
-3.0635
Total Score
-135.77
Score CDR
-0.2663
Score non-CDR
-0.6744

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) P (Heavy), M (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 -3.0635
Maximum Score 2.0098
Average Score -0.5802
Total Score -135.7738

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

Index Residue Chain A4D Score Classification
1 Q P -1.0228 Soluble
2 V P 0.2243 Aggregation-prone
3 Q P -0.6560 Soluble
4 L P 0.0000 Buried
5 V P 0.4818 Aggregation-prone
6 E P 0.0000 Buried
7 S P -0.5683 Soluble
8 G P -0.9377 Soluble
9 G P -0.3573 Soluble
11 G P 0.5051 Aggregation-prone
12 V P 1.3788 Aggregation-prone
13 V P 0.0000 Buried
14 Q P -1.7066 Soluble
15 P P -1.9377 Soluble
16 G P -2.2290 Soluble
17 R P -2.8175 Soluble
18 S P -1.8584 Soluble
19 L P -1.1058 Soluble
20 R P -1.6950 Soluble
21 L P 0.0000 Buried
22 S P -0.4019 Soluble
23 C P 0.0000 Buried
24 A P -0.2574 Soluble
25 A P 0.0000 Buried
26 S P -0.0143 Soluble
27 G P -0.0012 Soluble
28 F P 0.9697 Aggregation-prone
29 I P 2.0098 Aggregation-prone
30 F P 0.0000 Buried
35 S P 0.0199 Aggregation-prone
36 S P 0.2136 Aggregation-prone
37 Y P 0.1893 Aggregation-prone
38 A P 0.0000 Buried
39 M P 0.0000 Buried
40 H P 0.0000 Buried
41 W P 0.0000 Buried
42 V P 0.0000 Buried
43 R P 0.0000 Buried
44 Q P -0.7278 Soluble
45 A P -1.1041 Soluble
46 P P -0.8731 Soluble
47 G P -1.2441 Soluble
48 N P -1.7856 Soluble
49 G P -1.0720 Soluble
50 L P 0.0000 Buried
51 E P -0.9800 Soluble
52 W P 0.0000 Buried
53 V P 0.0000 Buried
54 A P 0.0000 Buried
55 F P 0.0000 Buried
56 M P 0.0000 Buried
57 S P -0.7969 Soluble
58 Y P -0.1565 Soluble
59 D P -1.7562 Soluble
62 G P -1.4163 Soluble
63 S P -1.3298 Soluble
64 N P -1.8576 Soluble
65 K P -1.8733 Soluble
66 K P -1.3413 Soluble
67 Y P -1.2623 Soluble
68 A P -1.5317 Soluble
69 D P -2.5754 Soluble
70 S P -1.8787 Soluble
71 V P 0.0000 Buried
72 K P -2.6984 Soluble
74 G P -1.8210 Soluble
75 R P -1.5871 Soluble
76 F P 0.0000 Buried
77 T P -0.9176 Soluble
78 I P 0.0000 Buried
79 S P -0.6454 Soluble
80 R P -1.0607 Soluble
81 D P -1.7928 Soluble
82 N P -1.5694 Soluble
83 S P -1.6254 Soluble
84 K P -2.3662 Soluble
85 N P -1.4243 Soluble
86 T P 0.0000 Buried
87 L P 0.0000 Buried
88 Y P -0.4961 Soluble
89 L P 0.0000 Buried
90 Q P -0.9775 Soluble
91 M P 0.0000 Buried
92 N P -1.8915 Soluble
93 S P -1.9193 Soluble
94 L P 0.0000 Buried
95 R P -3.0635 Soluble
96 A P -1.9780 Soluble
97 E P -2.4004 Soluble
98 D P 0.0000 Buried
99 T P -0.7418 Soluble
100 A P 0.0000 Buried
101 V P 0.0014 Aggregation-prone
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 A P 0.0000 Buried
106 R P -0.9346 Soluble
107 D P 0.0000 Buried
108 R P -1.3403 Soluble
109 G P -0.1462 Soluble
110 I P 0.5343 Aggregation-prone
111 A P 0.2596 Aggregation-prone
111A A P -0.0025 Soluble
111B G P -0.5289 Soluble
111C G P -0.5818 Soluble
112C N P -0.4544 Soluble
112B Y P 0.3854 Aggregation-prone
112A Y P 0.0000 Buried
112 Y P 0.6375 Aggregation-prone
113 Y P -0.0829 Soluble
114 G P 0.0000 Buried
115 M P 0.0000 Buried
116 D P -1.8580 Soluble
117 V P -0.7343 Soluble
118 W P 0.0000 Buried
119 G P 0.0000 Buried
120 Q P -1.3369 Soluble
121 G P -0.5867 Soluble
122 T P -0.3196 Soluble
123 T P -0.0454 Soluble
124 V P 0.0000 Buried
125 T P -0.0352 Soluble
126 V P 0.0000 Buried
127 S P -0.3697 Soluble
128 S P -0.7131 Soluble
1 E M -1.4959 Soluble
2 I M 0.0000 Buried
3 V M 0.9082 Aggregation-prone
4 L M 0.2681 Aggregation-prone
5 T M -0.4121 Soluble
6 Q M 0.0000 Buried
7 S M -0.6203 Soluble
8 P M -0.3630 Soluble
9 A M -0.3295 Soluble
10 T M -0.4833 Soluble
11 L M -0.1545 Soluble
12 S M -0.1516 Soluble
13 L M -0.4905 Soluble
14 S M -0.8724 Soluble
15 P M -1.4401 Soluble
16 G M -1.8728 Soluble
17 E M -2.5666 Soluble
18 R M -2.6835 Soluble
19 A M 0.0000 Buried
20 T M -0.6905 Soluble
21 L M 0.0000 Buried
22 S M -0.8313 Soluble
23 C M 0.0000 Buried
24 R M -2.1382 Soluble
25 A M 0.0000 Buried
26 S M -0.9602 Soluble
27 Q M -1.4811 Soluble
28 S M -0.8666 Soluble
29 V M 0.0000 Buried
36 Y M 0.8337 Aggregation-prone
37 S M 0.2664 Aggregation-prone
38 Y M 0.5714 Aggregation-prone
39 L M 0.0000 Buried
40 A M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.1953 Soluble
46 P M -0.8754 Soluble
47 G M -1.3498 Soluble
48 Q M -1.9170 Soluble
49 A M -1.2674 Soluble
50 P M 0.0000 Buried
51 R M -1.6202 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.6400 Soluble
56 D M -0.4967 Soluble
57 A M 0.0000 Buried
65 S M -1.3262 Soluble
66 N M -1.8985 Soluble
67 R M -1.7280 Soluble
68 A M -1.1805 Soluble
69 T M -0.8029 Soluble
70 G M -0.5447 Soluble
71 I M -0.4703 Soluble
72 P M -0.3147 Soluble
74 A M -0.3323 Soluble
75 R M -0.7709 Soluble
76 F M 0.0000 Buried
77 S M -0.7494 Soluble
78 G M -0.8390 Soluble
79 S M -0.9146 Soluble
80 G M -1.0157 Soluble
83 S M -0.7227 Soluble
84 G M -0.6118 Soluble
85 T M -1.4829 Soluble
86 D M -2.1297 Soluble
87 F M 0.0000 Buried
88 T M -0.8071 Soluble
89 L M 0.0000 Buried
90 T M -0.6148 Soluble
91 I M 0.0000 Buried
92 S M -1.4363 Soluble
93 S M -1.7809 Soluble
94 L M 0.0000 Buried
95 E M -1.9412 Soluble
96 P M -1.3976 Soluble
97 E M -2.2218 Soluble
98 D M 0.0000 Buried
99 F M -0.5800 Soluble
100 A M 0.0000 Buried
101 V M -0.2310 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 R M 0.0000 Buried
108 S M 0.0000 Buried
109 N M -0.4271 Soluble
113 W M -0.1397 Soluble
114 P M -0.3839 Soluble
115 P M -0.4109 Soluble
116 F M 0.0000 Buried
117 T M 0.1155 Aggregation-prone
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 P M -0.3487 Soluble
121 G M -0.5399 Soluble
122 T M 0.0000 Buried
123 K M -1.0761 Soluble
124 V M 0.0000 Buried
125 D M -0.0725 Soluble
126 I M 0.9599 Aggregation-prone
127 K M -0.8209 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 -0.5662 2.7344 CSV PDB
4.5 -0.6047 2.7344 CSV PDB
5.0 -0.6485 2.7344 CSV PDB
5.5 -0.6919 2.7344 CSV PDB
6.0 -0.7283 2.7344 CSV PDB
6.5 -0.7518 2.7344 CSV PDB
7.0 -0.7616 2.7344 CSV PDB
7.5 -0.7612 2.7344 CSV PDB
8.0 -0.7536 2.7344 CSV PDB
8.5 -0.7395 2.7343 CSV PDB
9.0 -0.7194 2.7342 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH