Guselkumab / 4m6n

A4DAB137_4m6n_H_L | Source PDB: 4m6n | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6753
Max Score
1.2312
Min Score
-3.0967
Total Score
-289.72
Score CDR
-0.414
Score non-CDR
-0.709

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFSNYWIGWVRQMPGKGLEWMGIIDPSNSYTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARWYYKPFDVWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKQSVLTQPPSVSGAPGQRVTISCTGSSSNIGSGYDVHWYQQLPGTAPKLLIYGNSKRPSGVPDRFSGSKSGTSASLAITGLQSEDEADYYCASWTDGLSLVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC input.pdb
Selected Chain(s) H (Heavy), L (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 -3.0967
Maximum Score 1.2312
Average Score -0.6753
Total Score -289.724

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

Index Residue Chain A4D Score Classification
1 E H -2.0329 Soluble
2 V H -1.1721 Soluble
3 Q H -1.2135 Soluble
4 L H 0.0000 Buried
5 V H 0.3317 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.4987 Soluble
8 G H -0.4922 Soluble
9 A H 0.1708 Aggregation-prone
11 E H 0.0305 Aggregation-prone
12 V H 1.1965 Aggregation-prone
13 K H -0.6334 Soluble
14 K H -1.9363 Soluble
15 P H -1.9681 Soluble
16 G H -1.7079 Soluble
17 E H -1.6206 Soluble
18 S H -1.4721 Soluble
19 L H 0.0000 Buried
20 K H -1.9520 Soluble
21 I H 0.0000 Buried
22 S H -0.5286 Soluble
23 C H 0.0000 Buried
24 K H -0.6469 Soluble
25 G H 0.0000 Buried
26 S H -0.7119 Soluble
27 G H -1.1398 Soluble
28 Y H -0.6356 Soluble
29 S H -0.6792 Soluble
30 F H 0.0000 Buried
35 S H -1.3031 Soluble
36 N H -1.4030 Soluble
37 Y H 0.0708 Aggregation-prone
38 W H 0.2816 Aggregation-prone
39 I H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.7696 Soluble
44 Q H -0.8533 Soluble
45 M H -0.7715 Soluble
46 P H -0.8802 Soluble
47 G H -1.4395 Soluble
48 K H -2.1974 Soluble
49 G H -1.4678 Soluble
50 L H 0.0000 Buried
51 E H -1.0296 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 I H 0.0000 Buried
56 I H 0.0000 Buried
57 D H -0.6070 Soluble
58 P H 0.0000 Buried
59 S H -1.4249 Soluble
62 N H -1.5698 Soluble
63 S H -0.9118 Soluble
64 Y H 0.0872 Aggregation-prone
65 T H -0.1035 Soluble
66 R H -0.2734 Soluble
67 Y H -0.4089 Soluble
68 S H 0.0000 Buried
69 P H -0.4834 Soluble
70 S H -0.8498 Soluble
71 F H 0.0000 Buried
72 Q H -1.6918 Soluble
74 G H -1.5082 Soluble
75 Q H -1.8947 Soluble
76 V H 0.0000 Buried
77 T H -0.8967 Soluble
78 I H 0.0000 Buried
79 S H -0.6035 Soluble
80 A H -0.9563 Soluble
81 D H -1.4525 Soluble
82 K H -2.1589 Soluble
83 S H -0.5909 Soluble
84 I H 0.3589 Aggregation-prone
85 S H -0.5620 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6589 Soluble
89 L H 0.0000 Buried
90 Q H -1.3137 Soluble
91 W H 0.0000 Buried
92 S H -1.2608 Soluble
93 S H -1.5218 Soluble
94 L H 0.0000 Buried
95 K H -2.3989 Soluble
96 A H -1.3793 Soluble
97 S H -0.8317 Soluble
98 D H -0.9309 Soluble
99 T H -0.1524 Soluble
100 A H 0.0000 Buried
101 M H 0.1883 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 W H 0.4871 Aggregation-prone
108 Y H 0.6998 Aggregation-prone
109 Y H 1.2312 Aggregation-prone
113 K H -0.1110 Soluble
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5453 Soluble
117 V H -0.4907 Soluble
118 W H -0.3835 Soluble
119 G H 0.0000 Buried
120 Q H -0.9338 Soluble
121 G H -0.3429 Soluble
122 T H 0.0000 Buried
123 L H 0.5755 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.2073 Aggregation-prone
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -1.0913 Soluble
129 A H -0.6822 Soluble
130 S H -0.6677 Soluble
131 T H -0.7022 Soluble
132 K H -1.0849 Soluble
133 G H -1.3484 Soluble
134 P H 0.0000 Buried
135 S H -0.2664 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.8358 Soluble
139 L H 0.0000 Buried
140 A H -1.1468 Soluble
141 P H 0.0000 Buried
142 S H -0.7035 Soluble
143 G H -0.7548 Soluble
144 G H -0.8563 Soluble
145 T H -0.5809 Soluble
146 A H -0.3289 Soluble
147 A H -0.0705 Soluble
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.3584 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -0.7015 Soluble
158 E H -1.2642 Soluble
159 P H -1.1896 Soluble
160 V H -1.0142 Soluble
161 T H -0.8347 Soluble
162 V H -0.2704 Soluble
163 S H -0.4248 Soluble
164 W H 0.0000 Buried
165 N H -0.7068 Soluble
166 S H -0.6054 Soluble
167 G H -0.4308 Soluble
168 A H -0.1948 Soluble
169 L H -0.0369 Soluble
170 T H -0.2213 Soluble
171 S H -0.4780 Soluble
172 G H -0.6001 Soluble
173 V H 0.0351 Aggregation-prone
174 H H -0.4532 Soluble
175 T H 0.0346 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.1239 Soluble
178 A H -0.1824 Soluble
179 V H 0.0000 Buried
180 L H 0.0048 Aggregation-prone
181 Q H -0.3358 Soluble
182 S H -0.4344 Soluble
183 S H -0.3344 Soluble
184 G H -0.3716 Soluble
185 L H -0.2418 Soluble
186 Y H 0.0000 Buried
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.1669 Aggregation-prone
192 V H 0.0000 Buried
193 T H -0.2092 Soluble
194 V H 0.0000 Buried
195 P H -0.5770 Soluble
196 S H -0.5668 Soluble
197 S H -0.5551 Soluble
198 S H -0.5434 Soluble
199 L H -0.7379 Soluble
200 G H -1.2596 Soluble
201 T H -0.7037 Soluble
202 Q H -1.2927 Soluble
203 T H -1.1259 Soluble
204 Y H 0.0000 Buried
205 I H -1.0876 Soluble
206 C H 0.0000 Buried
207 N H -1.4980 Soluble
208 V H 0.0000 Buried
209 N H -2.3577 Soluble
210 H H 0.0000 Buried
211 K H -2.9341 Soluble
212 P H -1.7628 Soluble
213 S H -1.8767 Soluble
214 N H -2.6219 Soluble
215 T H -2.1799 Soluble
216 K H -2.8676 Soluble
217 V H -1.8098 Soluble
218 D H -2.4913 Soluble
219 K H -1.9647 Soluble
220 K H -2.2830 Soluble
221 V H 0.0000 Buried
222 E H -2.7723 Soluble
223 P H -1.9179 Soluble
224 K H -2.1230 Soluble
1 Q L -0.7823 Soluble
2 S L -0.3423 Soluble
3 V L 0.3071 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.0936 Soluble
6 Q L 0.0000 Buried
7 P L -0.4283 Soluble
8 P L -0.6813 Soluble
9 S L -0.6034 Soluble
11 V L -0.2468 Soluble
12 S L -0.5832 Soluble
13 G L 0.0000 Buried
14 A L -1.1984 Soluble
15 P L -1.5577 Soluble
16 G L -1.8975 Soluble
17 Q L -2.5532 Soluble
18 R L -2.7778 Soluble
19 V L 0.0000 Buried
20 T L -0.4949 Soluble
21 I L 0.0000 Buried
22 S L -0.2725 Soluble
23 C L 0.0000 Buried
24 T L -0.2477 Soluble
25 G L -0.1763 Soluble
26 S L -0.3516 Soluble
27 S L -0.8673 Soluble
28 S L -0.8853 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
31 G L -1.0885 Soluble
35 S L -1.0112 Soluble
36 G L -1.0067 Soluble
37 Y L -0.7598 Soluble
38 D L -1.2735 Soluble
39 V L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 L L -0.5775 Soluble
46 P L -0.4720 Soluble
47 G L -0.4958 Soluble
48 T L -0.6568 Soluble
49 A L -0.7235 Soluble
50 P L 0.0000 Buried
51 K L -1.4776 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.0715 Soluble
56 G L -1.1226 Soluble
57 N L -1.4534 Soluble
65 S L -1.7462 Soluble
66 K L -2.7046 Soluble
67 R L -2.5560 Soluble
68 P L -1.3435 Soluble
69 S L -0.9428 Soluble
70 G L -1.0024 Soluble
71 V L 0.0000 Buried
72 P L -1.4870 Soluble
74 D L -2.4946 Soluble
75 R L -1.5789 Soluble
76 F L 0.0000 Buried
77 S L -1.3449 Soluble
78 G L -0.9690 Soluble
79 S L -1.0182 Soluble
80 K L -1.0653 Soluble
83 S L -0.7502 Soluble
84 G L -0.8398 Soluble
85 T L -0.7182 Soluble
86 S L -0.6118 Soluble
87 A L 0.0000 Buried
88 S L -0.4414 Soluble
89 L L 0.0000 Buried
90 A L -0.5653 Soluble
91 I L 0.0000 Buried
92 T L -1.8308 Soluble
93 G L -1.6150 Soluble
94 L L 0.0000 Buried
95 Q L -2.1612 Soluble
96 S L -1.7365 Soluble
97 E L -2.2221 Soluble
98 D L 0.0000 Buried
99 E L -1.3232 Soluble
100 A L 0.0000 Buried
101 D L -0.9708 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 A L 0.0000 Buried
106 S L 0.0000 Buried
107 W L -0.2627 Soluble
108 T L 0.0000 Buried
109 D L -1.5811 Soluble
110 G L -0.4079 Soluble
113 L L 0.8222 Aggregation-prone
114 S L 0.1615 Aggregation-prone
115 L L 0.0470 Aggregation-prone
116 V L 0.0000 Buried
117 V L 0.2163 Aggregation-prone
118 F L 0.1364 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.8891 Soluble
121 G L -0.9395 Soluble
122 T L 0.0000 Buried
123 K L -1.0689 Soluble
124 L L 0.0000 Buried
125 T L -0.4520 Soluble
126 V L 0.0000 Buried
127 L L -0.7777 Soluble
128 G L -1.0527 Soluble
129 Q L -1.3505 Soluble
130 P L -1.3996 Soluble
131 K L -2.2498 Soluble
132 A L -1.3594 Soluble
133 A L -0.7891 Soluble
134 P L 0.0000 Buried
135 S L -0.5425 Soluble
136 V L 0.0000 Buried
137 T L -0.4737 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.2997 Soluble
141 P L 0.0000 Buried
142 S L -0.5970 Soluble
143 S L -1.0302 Soluble
144 E L -1.4633 Soluble
145 E L 0.0000 Buried
146 L L -1.4742 Soluble
147 Q L -1.9138 Soluble
148 A L -1.5445 Soluble
149 N L -2.2801 Soluble
150 K L -1.9316 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L -0.6612 Soluble
159 D L -1.3551 Soluble
160 F L 0.0000 Buried
161 Y L 0.0000 Buried
162 P L 0.0000 Buried
163 G L -0.8629 Soluble
164 A L -0.2174 Soluble
165 V L -0.1112 Soluble
166 T L -0.0937 Soluble
167 V L 0.1067 Aggregation-prone
168 A L -0.4374 Soluble
169 W L 0.0000 Buried
170 K L -1.1950 Soluble
171 A L 0.0000 Buried
172 D L -2.2115 Soluble
173 S L -1.3421 Soluble
174 S L -1.0379 Soluble
175 P L -1.0145 Soluble
176 V L -1.0005 Soluble
177 K L -1.7663 Soluble
178 A L -0.9321 Soluble
179 G L -0.8855 Soluble
180 V L -0.6792 Soluble
181 E L -0.7746 Soluble
182 T L -0.1978 Soluble
183 T L 0.0000 Buried
184 T L -0.2437 Soluble
185 P L -0.5737 Soluble
186 S L -1.2390 Soluble
187 K L -2.6882 Soluble
188 Q L -2.1883 Soluble
189 S L -1.8827 Soluble
190 N L -2.6280 Soluble
191 N L -2.8766 Soluble
192 K L -2.5038 Soluble
193 Y L -1.5919 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.5109 Soluble
201 L L -1.0331 Soluble
202 T L -1.6055 Soluble
203 P L 0.0000 Buried
204 E L -3.0632 Soluble
205 Q L -2.2817 Soluble
206 W L 0.0000 Buried
207 K L -3.0967 Soluble
208 S L -2.3679 Soluble
209 H L -2.5817 Soluble
210 R L -2.7566 Soluble
211 S L 0.0000 Buried
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -0.9068 Soluble
216 V L 0.0000 Buried
217 T L -0.6600 Soluble
218 H L 0.0000 Buried
219 E L -2.3167 Soluble
220 G L -1.4416 Soluble
221 S L -0.8970 Soluble
222 T L -0.7034 Soluble
223 V L -0.6291 Soluble
224 E L -1.7952 Soluble
225 K L -1.5993 Soluble
226 T L -1.0477 Soluble
227 V L 0.0000 Buried
228 A L -1.4505 Soluble
229 P L -1.4752 Soluble
230 T L -1.3818 Soluble
231 E L -1.5271 Soluble
232 C L -0.5472 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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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 -0.6764 2.0898 CSV PDB
4.5 -0.7074 2.0711 CSV PDB
5.0 -0.7427 2.0435 CSV PDB
5.5 -0.774 2.0109 CSV PDB
6.0 -0.7918 1.9773 CSV PDB
6.5 -0.7883 1.9459 CSV PDB
7.0 -0.7635 1.9177 CSV PDB
7.5 -0.724 1.892 CSV PDB
8.0 -0.6762 1.8676 CSV PDB
8.5 -0.6227 1.8441 CSV PDB
9.0 -0.5646 1.8224 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH