Guselkumab / 4m6m

A4DAB137_4m6m_H_L | Source PDB: 4m6m | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6492
Max Score
1.3518
Min Score
-3.1308
Total Score
-279.82
Score CDR
-0.3558
Score non-CDR
-0.6869

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFSNYWIGWVRQMPGKGLEWMGIIDPSNSYTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARWYYKPFDVWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCQSVLTQPPSVSGAPGQRVTISCTGSSSNIGSGYDVHWYQQLPGTAPKLLIYGNSKRPSGVPDRFSGSKSGTSASLAITGLQSEDEADYYCASWTDGLSLVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC 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 -3.1308
Maximum Score 1.3518
Average Score -0.6492
Total Score -279.8212

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

Index Residue Chain A4D Score Classification
1 E H -2.0324 Soluble
2 V H -1.1515 Soluble
3 Q H -1.1978 Soluble
4 L H 0.0000 Buried
5 V H 0.3626 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5113 Soluble
8 G H -0.4921 Soluble
9 A H 0.1476 Aggregation-prone
11 E H 0.1109 Aggregation-prone
12 V H 1.1634 Aggregation-prone
13 K H -0.6965 Soluble
14 K H -1.9586 Soluble
15 P H -2.0373 Soluble
16 G H -1.7861 Soluble
17 E H -1.7179 Soluble
18 S H -1.4467 Soluble
19 L H 0.0000 Buried
20 K H -2.0796 Soluble
21 I H 0.0000 Buried
22 S H -0.5846 Soluble
23 C H 0.0000 Buried
24 K H -0.7242 Soluble
25 G H 0.0000 Buried
26 S H -0.7228 Soluble
27 G H -1.1672 Soluble
28 Y H -0.6480 Soluble
29 S H -0.6861 Soluble
30 F H 0.0000 Buried
35 S H -1.2819 Soluble
36 N H -1.2642 Soluble
37 Y H 0.0891 Aggregation-prone
38 W H 0.2542 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 -0.7069 Soluble
44 Q H -0.8373 Soluble
45 M H -0.7926 Soluble
46 P H -0.9775 Soluble
47 G H -1.4353 Soluble
48 K H -2.2119 Soluble
49 G H -1.4676 Soluble
50 L H 0.0000 Buried
51 E H -0.9669 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 -0.6643 Soluble
58 P H 0.0000 Buried
59 S H -1.4384 Soluble
62 N H -1.4677 Soluble
63 S H -0.9647 Soluble
64 Y H 0.0015 Aggregation-prone
65 T H -0.1628 Soluble
66 R H -0.3145 Soluble
67 Y H -0.3949 Soluble
68 S H 0.0000 Buried
69 P H -0.6007 Soluble
70 S H -0.8310 Soluble
71 F H 0.0000 Buried
72 Q H -1.6078 Soluble
74 G H -1.4985 Soluble
75 Q H -2.0514 Soluble
76 V H 0.0000 Buried
77 T H -0.9968 Soluble
78 I H 0.0000 Buried
79 S H -0.6467 Soluble
80 A H -0.9636 Soluble
81 D H -1.4024 Soluble
82 K H -2.1102 Soluble
83 S H -0.5187 Soluble
84 I H 0.4711 Aggregation-prone
85 S H -0.5360 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7387 Soluble
89 L H 0.0000 Buried
90 Q H -1.5820 Soluble
91 W H 0.0000 Buried
92 S H -1.3594 Soluble
93 S H -1.6477 Soluble
94 L H 0.0000 Buried
95 K H -2.5064 Soluble
96 A H -1.4238 Soluble
97 S H -0.7940 Soluble
98 D H -0.8386 Soluble
99 T H -0.1611 Soluble
100 A H 0.0000 Buried
101 M H 0.1700 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 0.5726 Aggregation-prone
108 Y H 0.8586 Aggregation-prone
109 Y H 1.3518 Aggregation-prone
113 K H 0.1410 Aggregation-prone
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3123 Soluble
117 V H -0.3755 Soluble
118 W H -0.3253 Soluble
119 G H 0.0000 Buried
120 Q H -0.9154 Soluble
121 G H -0.3240 Soluble
122 T H 0.0000 Buried
123 L H 0.6094 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -1.1270 Soluble
129 A H -0.6617 Soluble
130 S H -0.6828 Soluble
131 T H -0.6954 Soluble
132 K H -1.0676 Soluble
133 G H -1.3376 Soluble
134 P H 0.0000 Buried
135 S H -0.1704 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -1.1625 Soluble
141 P H -0.8405 Soluble
142 S H -0.6650 Soluble
143 G H -0.8556 Soluble
144 G H -0.9249 Soluble
145 T H -0.6483 Soluble
146 A H -0.3630 Soluble
147 A H -0.0887 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 0.0000 Buried
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -0.6176 Soluble
158 E H -1.1577 Soluble
159 P H -1.1504 Soluble
160 V H -0.9890 Soluble
161 T H -0.8079 Soluble
162 V H -0.2474 Soluble
163 S H -0.4383 Soluble
164 W H 0.0000 Buried
165 N H -0.7031 Soluble
166 S H -0.6416 Soluble
167 G H -0.5715 Soluble
168 A H -0.2740 Soluble
169 L H -0.0810 Soluble
170 T H -0.2610 Soluble
171 S H -0.3430 Soluble
172 G H -0.6095 Soluble
173 V H 0.0307 Aggregation-prone
174 H H -0.3307 Soluble
175 T H 0.0273 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.1314 Soluble
178 A H -0.1411 Soluble
179 V H 0.0000 Buried
180 L H 0.1067 Aggregation-prone
181 Q H -0.2247 Soluble
182 S H -0.4130 Soluble
183 S H -0.2731 Soluble
184 G H -0.3058 Soluble
185 L H -0.0911 Soluble
186 Y H -0.0020 Soluble
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 0.1731 Aggregation-prone
192 V H 0.0000 Buried
193 T H -0.2360 Soluble
194 V H 0.0000 Buried
195 P H -0.6675 Soluble
196 S H -0.5933 Soluble
197 S H -0.5771 Soluble
198 S H -0.5709 Soluble
199 L H -0.7693 Soluble
200 G H -1.1591 Soluble
201 T H -0.7134 Soluble
202 Q H -1.3372 Soluble
203 T H -1.0406 Soluble
204 Y H 0.0000 Buried
205 I H -0.7224 Soluble
206 C H 0.0000 Buried
207 N H -1.3680 Soluble
208 V H 0.0000 Buried
209 N H -2.3984 Soluble
210 H H 0.0000 Buried
211 K H -2.9567 Soluble
212 P H -1.7615 Soluble
213 S H -1.8890 Soluble
214 N H -2.6845 Soluble
215 T H -2.2349 Soluble
216 K H -2.7893 Soluble
217 V H -1.4832 Soluble
218 D H -2.1155 Soluble
219 K H -1.5258 Soluble
220 K H -1.7344 Soluble
221 V H 0.0000 Buried
222 E H -2.6736 Soluble
223 P H -1.8086 Soluble
224 K H -1.9611 Soluble
225 S H -0.8934 Soluble
226 C H 0.1479 Aggregation-prone
1 Q L -0.4675 Soluble
2 S L 0.1987 Aggregation-prone
3 V L 1.3054 Aggregation-prone
4 L L 0.0000 Buried
5 T L 0.1258 Aggregation-prone
6 Q L 0.0000 Buried
7 P L -0.4338 Soluble
8 P L -0.6777 Soluble
9 S L -0.6098 Soluble
11 V L -0.2613 Soluble
12 S L -0.5342 Soluble
13 G L 0.0000 Buried
14 A L -1.0798 Soluble
15 P L -1.4240 Soluble
16 G L -1.8347 Soluble
17 Q L -2.4970 Soluble
18 R L -2.7576 Soluble
19 V L 0.0000 Buried
20 T L -0.5182 Soluble
21 I L 0.0000 Buried
22 S L -0.2931 Soluble
23 C L 0.0000 Buried
24 T L -0.1222 Soluble
25 G L 0.0932 Aggregation-prone
26 S L -0.1859 Soluble
27 S L -0.7246 Soluble
28 S L -0.7533 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
31 G L -1.1827 Soluble
35 S L -1.0873 Soluble
36 G L -0.9047 Soluble
37 Y L -0.7193 Soluble
38 D L -1.0814 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 -0.6546 Soluble
45 L L -0.4165 Soluble
46 P L -0.3818 Soluble
47 G L -0.4793 Soluble
48 T L -0.6130 Soluble
49 A L -0.6995 Soluble
50 P L 0.0000 Buried
51 K L -1.3361 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8037 Soluble
56 G L -0.8813 Soluble
57 N L -1.2104 Soluble
65 S L -1.4194 Soluble
66 K L -1.9849 Soluble
67 R L -2.0870 Soluble
68 P L -1.0748 Soluble
69 S L -1.0162 Soluble
70 G L -0.9744 Soluble
71 V L 0.0000 Buried
72 P L -1.4479 Soluble
74 D L -2.3132 Soluble
75 R L -1.6834 Soluble
76 F L 0.0000 Buried
77 S L -1.2136 Soluble
78 G L -0.8385 Soluble
79 S L -0.9428 Soluble
80 K L -1.0707 Soluble
83 S L -0.7903 Soluble
84 G L -0.9059 Soluble
85 T L -0.7388 Soluble
86 S L -0.6524 Soluble
87 A L 0.0000 Buried
88 S L -0.4609 Soluble
89 L L 0.0000 Buried
90 A L -0.5932 Soluble
91 I L 0.0000 Buried
92 T L -1.8434 Soluble
93 G L -1.5976 Soluble
94 L L 0.0000 Buried
95 Q L -2.0445 Soluble
96 S L -1.6497 Soluble
97 E L -2.1760 Soluble
98 D L 0.0000 Buried
99 E L -1.2812 Soluble
100 A L 0.0000 Buried
101 D L -0.8612 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 -0.2434 Soluble
108 T L 0.0000 Buried
109 D L -1.5152 Soluble
110 G L -0.2920 Soluble
113 L L 0.7915 Aggregation-prone
114 S L 0.3502 Aggregation-prone
115 L L 0.0836 Aggregation-prone
116 V L 0.0000 Buried
117 V L 0.5192 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.6593 Soluble
121 G L -0.9502 Soluble
122 T L 0.0000 Buried
123 K L -1.0808 Soluble
124 L L 0.0000 Buried
125 T L 0.0000 Buried
126 V L 0.0000 Buried
127 L L -0.6368 Soluble
128 G L -0.9792 Soluble
129 Q L -1.3506 Soluble
130 P L -1.3980 Soluble
131 K L -2.2960 Soluble
132 A L -1.3663 Soluble
133 A L -0.7642 Soluble
134 P L 0.0000 Buried
135 S L -0.5940 Soluble
136 V L 0.0000 Buried
137 T L -0.5031 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.0177 Soluble
141 P L 0.0000 Buried
142 S L -0.6192 Soluble
143 S L -0.7151 Soluble
144 E L -1.1220 Soluble
145 E L 0.0000 Buried
146 L L -1.2598 Soluble
147 Q L -1.7574 Soluble
148 A L -1.3729 Soluble
149 N L -2.0693 Soluble
150 K L -1.6560 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 -0.6572 Soluble
159 D L -1.5324 Soluble
160 F L 0.0000 Buried
161 Y L 0.0000 Buried
162 P L -0.9862 Soluble
163 G L -0.8621 Soluble
164 A L -0.2892 Soluble
165 V L -0.0783 Soluble
166 T L -0.0856 Soluble
167 V L 0.0840 Aggregation-prone
168 A L -0.4391 Soluble
169 W L 0.0000 Buried
170 K L -0.9381 Soluble
171 A L -1.1418 Soluble
172 D L -1.5915 Soluble
173 S L -1.0010 Soluble
174 S L -0.8476 Soluble
175 P L -0.8717 Soluble
176 V L -0.8567 Soluble
177 K L -1.7294 Soluble
178 A L -0.9001 Soluble
179 G L -0.8231 Soluble
180 V L -0.6688 Soluble
181 E L -0.8086 Soluble
182 T L -0.2058 Soluble
183 T L 0.0000 Buried
184 T L -0.2382 Soluble
185 P L -0.5674 Soluble
186 S L -1.2504 Soluble
187 K L -2.6905 Soluble
188 Q L -2.1901 Soluble
189 S L -1.8609 Soluble
190 N L -2.5944 Soluble
191 N L -2.8775 Soluble
192 K L -2.5084 Soluble
193 Y L -1.5954 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 -0.4085 Soluble
201 L L -0.9559 Soluble
202 T L -1.5301 Soluble
203 P L 0.0000 Buried
204 E L -3.0760 Soluble
205 Q L -2.3911 Soluble
206 W L 0.0000 Buried
207 K L -3.1308 Soluble
208 S L -2.4070 Soluble
209 H L -2.4490 Soluble
210 R L -2.7787 Soluble
211 S L 0.0000 Buried
212 Y L 0.0000 Buried
213 S L -1.0109 Soluble
214 C L 0.0000 Buried
215 Q L -0.9671 Soluble
216 V L 0.0000 Buried
217 T L -0.6550 Soluble
218 H L 0.0000 Buried
219 E L -2.3100 Soluble
220 G L -1.4374 Soluble
221 S L -0.8806 Soluble
222 T L -0.6913 Soluble
223 V L -0.6518 Soluble
224 E L -1.9172 Soluble
225 K L -1.6919 Soluble
226 T L -0.9791 Soluble
227 V L -0.6646 Soluble
228 A L -1.3553 Soluble
229 P L -1.4870 Soluble
230 T L -1.4439 Soluble
231 E L -1.5920 Soluble
232 C L -0.2862 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 -0.6545 2.1177 CSV PDB
4.5 -0.6848 2.0924 CSV PDB
5.0 -0.7195 2.0611 CSV PDB
5.5 -0.7503 2.0276 CSV PDB
6.0 -0.7674 1.9946 CSV PDB
6.5 -0.7631 1.9646 CSV PDB
7.0 -0.7368 1.9386 CSV PDB
7.5 -0.6955 1.9157 CSV PDB
8.0 -0.6458 1.8948 CSV PDB
8.5 -0.5909 1.8763 CSV PDB
9.0 -0.5317 1.8619 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH