Golimumab / 5yoy

A4DAB133_5yoy_I_F | Source PDB: 5yoy | Chains: I, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5866
Max Score
1.9011
Min Score
-3.1944
Total Score
-136.68
Score CDR
—
Score non-CDR
—

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFIFSSYAMHWVRQAPGNGLEWVAFMSYDGSNKKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGIAAGGNYYYYGMDVWGQGTTVTVSEIVLTQSPATLSLSPGERATLSCRASQSVYSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPFTFGPGTKVDIK input.pdb
Selected Chain(s) I (Heavy), F (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 -3.1944
Maximum Score 1.9011
Average Score -0.5866
Total Score -136.6824

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

Index Residue Chain A4D Score Classification
1 Q I -1.0100 Soluble
2 V I 0.2496 Aggregation-prone
3 Q I -0.5480 Soluble
4 L I 0.0000 Buried
5 V I 0.5917 Aggregation-prone
6 E I 0.0000 Buried
7 S I -0.5641 Soluble
8 G I -0.9468 Soluble
9 G I -0.3561 Soluble
11 G I 0.3775 Aggregation-prone
12 V I 1.3626 Aggregation-prone
13 V I 0.0000 Buried
14 Q I -1.8340 Soluble
15 P I -2.1386 Soluble
16 G I -2.5238 Soluble
17 R I -3.0396 Soluble
18 S I -2.2782 Soluble
19 L I -1.4076 Soluble
20 R I -2.2238 Soluble
21 L I 0.0000 Buried
22 S I -0.5014 Soluble
23 C I 0.0000 Buried
24 A I -0.2360 Soluble
25 A I 0.0000 Buried
26 S I 0.0677 Aggregation-prone
27 G I 0.0144 Aggregation-prone
28 F I 0.9627 Aggregation-prone
29 I I 1.9011 Aggregation-prone
30 F I 0.0000 Buried
35 S I -0.2921 Soluble
36 S I 0.1434 Aggregation-prone
37 Y I 0.2128 Aggregation-prone
38 A I 0.0000 Buried
39 M I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.7805 Soluble
45 A I -1.1526 Soluble
46 P I -0.8772 Soluble
47 G I -1.2467 Soluble
48 N I -1.8106 Soluble
49 G I -1.1086 Soluble
50 L I 0.0000 Buried
51 E I -1.1420 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 F I 0.0000 Buried
56 M I 0.0000 Buried
57 S I -0.8322 Soluble
58 Y I -0.2518 Soluble
59 D I -1.8585 Soluble
62 G I -1.3539 Soluble
63 S I -1.3472 Soluble
64 N I -1.9144 Soluble
65 K I -2.0365 Soluble
66 K I -1.3911 Soluble
67 Y I -1.2224 Soluble
68 A I -1.5035 Soluble
69 D I -2.4855 Soluble
70 S I -1.7836 Soluble
71 V I 0.0000 Buried
72 K I -2.6461 Soluble
74 G I -1.8644 Soluble
75 R I -1.6251 Soluble
76 F I 0.0000 Buried
77 T I -1.2117 Soluble
78 I I 0.0000 Buried
79 S I -0.7539 Soluble
80 R I -1.2679 Soluble
81 D I -2.1840 Soluble
82 N I -2.3336 Soluble
83 S I -2.0098 Soluble
84 K I -2.6383 Soluble
85 N I -1.7779 Soluble
86 T I 0.0000 Buried
87 L I 0.0000 Buried
88 Y I -0.6519 Soluble
89 L I 0.0000 Buried
90 Q I -1.6947 Soluble
91 M I 0.0000 Buried
92 N I -2.6953 Soluble
93 S I -2.2972 Soluble
94 L I 0.0000 Buried
95 R I -3.1944 Soluble
96 A I -2.0324 Soluble
97 E I -2.4245 Soluble
98 D I 0.0000 Buried
99 T I -0.7511 Soluble
100 A I 0.0000 Buried
101 V I 0.0394 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.6444 Soluble
107 D I 0.0000 Buried
108 R I -1.2241 Soluble
109 G I -0.0616 Soluble
110 I I 0.5655 Aggregation-prone
111 A I 0.2936 Aggregation-prone
111A A I 0.0176 Aggregation-prone
111B G I -0.5004 Soluble
111C G I -0.5376 Soluble
112C N I -0.4047 Soluble
112B Y I 0.4098 Aggregation-prone
112A Y I 0.0000 Buried
112 Y I 0.7114 Aggregation-prone
113 Y I 0.1317 Aggregation-prone
114 G I 0.0000 Buried
115 M I 0.0000 Buried
116 D I -1.6112 Soluble
117 V I -0.7036 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.2138 Soluble
121 G I -0.5966 Soluble
122 T I -0.2806 Soluble
123 T I 0.1111 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.0626 Soluble
126 V I 0.0000 Buried
127 S I -0.8579 Soluble
1 E F -1.4324 Soluble
2 I F 0.0000 Buried
3 V F 0.9692 Aggregation-prone
4 L F 0.2853 Aggregation-prone
5 T F -0.4124 Soluble
6 Q F 0.0000 Buried
7 S F -0.4871 Soluble
8 P F -0.2906 Soluble
9 A F -0.3416 Soluble
10 T F -0.3934 Soluble
11 L F -0.0872 Soluble
12 S F -0.0909 Soluble
13 L F -0.4112 Soluble
14 S F -0.8078 Soluble
15 P F -1.3240 Soluble
16 G F -1.7794 Soluble
17 E F -2.4000 Soluble
18 R F -2.6399 Soluble
19 A F 0.0000 Buried
20 T F -0.6492 Soluble
21 L F 0.0000 Buried
22 S F -0.7686 Soluble
23 C F 0.0000 Buried
24 R F -2.0333 Soluble
25 A F 0.0000 Buried
26 S F -0.7995 Soluble
27 Q F -1.1413 Soluble
28 S F -0.6729 Soluble
29 V F 0.0000 Buried
36 Y F 0.9157 Aggregation-prone
37 S F 0.3266 Aggregation-prone
38 Y F 0.6019 Aggregation-prone
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F 0.0000 Buried
45 K F -1.7041 Soluble
46 P F -1.0943 Soluble
47 G F -1.3684 Soluble
48 Q F -2.0831 Soluble
49 A F -1.3187 Soluble
50 P F 0.0000 Buried
51 R F -1.4705 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F -0.3114 Soluble
56 D F -0.1936 Soluble
57 A F 0.0000 Buried
65 S F -1.0108 Soluble
66 N F -1.3324 Soluble
67 R F -1.5330 Soluble
68 A F -1.0689 Soluble
69 T F -0.7551 Soluble
70 G F -0.5765 Soluble
71 I F -0.4950 Soluble
72 P F -0.3390 Soluble
74 A F -0.3659 Soluble
75 R F -0.7090 Soluble
76 F F 0.0000 Buried
77 S F -0.7020 Soluble
78 G F 0.0000 Buried
79 S F -0.7918 Soluble
80 G F -0.9215 Soluble
83 S F -0.6371 Soluble
84 G F -0.4680 Soluble
85 T F -1.2986 Soluble
86 D F -1.8484 Soluble
87 F F 0.0000 Buried
88 T F -0.7233 Soluble
89 L F 0.0000 Buried
90 T F -0.6460 Soluble
91 I F 0.0000 Buried
92 S F -1.5062 Soluble
93 S F -1.7089 Soluble
94 L F 0.0000 Buried
95 E F -1.8234 Soluble
96 P F -1.3047 Soluble
97 E F -2.2289 Soluble
98 D F 0.0000 Buried
99 F F -0.5089 Soluble
100 A F 0.0000 Buried
101 V F -0.3211 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 R F 0.0000 Buried
108 S F 0.0000 Buried
109 N F -0.4131 Soluble
113 W F -0.0116 Soluble
114 P F -0.3840 Soluble
115 P F -0.4063 Soluble
116 F F 0.0000 Buried
117 T F 0.0793 Aggregation-prone
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 P F -0.6470 Soluble
121 G F -0.5256 Soluble
122 T F 0.0000 Buried
123 K F -1.1109 Soluble
124 V F 0.0000 Buried
125 D F 0.0958 Aggregation-prone
126 I F 1.0453 Aggregation-prone
127 K F -0.7832 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 -0.5878 2.6619 CSV PDB
4.5 -0.6239 2.6619 CSV PDB
5.0 -0.6644 2.6619 CSV PDB
5.5 -0.7034 2.6619 CSV PDB
6.0 -0.7341 2.6619 CSV PDB
6.5 -0.7517 2.6619 CSV PDB
7.0 -0.756 2.6619 CSV PDB
7.5 -0.7506 2.6619 CSV PDB
8.0 -0.7381 2.6619 CSV PDB
8.5 -0.7195 2.6618 CSV PDB
9.0 -0.6956 2.6617 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH