Denrakibart / 5wk3

A4DAB084_5wk3_U_T | Source PDB: 5wk3 | Chains: U, T | Done
96.15
Yes
10 Å
Yes
Avg A4D Score
-0.699
Max Score
1.2023
Min Score
-3.4537
Total Score
-306.88
Score CDR
-0.2681
Score non-CDR
-0.7595

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) U (Heavy), T (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 -3.4537
Maximum Score 1.2023
Average Score -0.699
Total Score -306.8763

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

Index Residue Chain A4D Score Classification
1 E U -2.0851 Soluble
2 V U -1.1639 Soluble
3 Q U -1.2155 Soluble
4 L U 0.0000 Buried
5 V U 0.3140 Aggregation-prone
6 Q U 0.0000 Buried
7 S U -0.4604 Soluble
8 G U -0.4641 Soluble
9 A U 0.0219 Aggregation-prone
11 E U -0.2591 Soluble
12 V U 0.1386 Aggregation-prone
13 K U -1.2882 Soluble
14 K U -2.3164 Soluble
15 P U -2.0941 Soluble
16 G U -1.8023 Soluble
17 E U -1.8096 Soluble
18 S U -1.6183 Soluble
19 L U 0.0000 Buried
20 K U -2.0035 Soluble
21 I U 0.0000 Buried
22 S U -0.5249 Soluble
23 C U 0.0000 Buried
24 K U -0.6264 Soluble
25 G U 0.0000 Buried
26 S U -0.7961 Soluble
27 G U -1.2531 Soluble
28 Y U -0.6223 Soluble
29 S U -0.2465 Soluble
30 F U 0.0000 Buried
35 T U -0.9376 Soluble
36 S U -0.2167 Soluble
37 Y U 0.0639 Aggregation-prone
38 W U 0.0100 Aggregation-prone
39 I U 0.0000 Buried
40 G U 0.0000 Buried
41 W U 0.0000 Buried
42 V U 0.0000 Buried
43 R U -0.6523 Soluble
44 Q U -0.8358 Soluble
45 M U -0.7987 Soluble
46 P U -0.9093 Soluble
47 G U -1.4141 Soluble
48 K U -2.2547 Soluble
49 G U -1.4696 Soluble
50 L U 0.0000 Buried
51 E U -1.0717 Soluble
52 W U 0.0000 Buried
53 M U 0.0000 Buried
54 G U 0.0000 Buried
55 I U 0.0000 Buried
56 I U 0.0000 Buried
57 D U -1.0366 Soluble
58 P U 0.0000 Buried
59 S U -1.6179 Soluble
62 D U -2.3814 Soluble
63 S U -1.8375 Soluble
64 D U -1.4552 Soluble
65 T U -0.9716 Soluble
66 R U -1.0621 Soluble
67 Y U -0.7644 Soluble
68 S U 0.0000 Buried
69 P U -1.1128 Soluble
70 S U -0.8398 Soluble
71 F U 0.0000 Buried
72 Q U -1.7716 Soluble
74 G U -1.3146 Soluble
75 Q U -1.2261 Soluble
76 V U 0.0000 Buried
77 T U -0.7605 Soluble
78 I U 0.0000 Buried
79 S U -0.7399 Soluble
80 A U -1.1603 Soluble
81 D U -1.4432 Soluble
82 K U -2.1462 Soluble
83 S U -0.6850 Soluble
84 I U 0.1980 Aggregation-prone
85 S U -0.6873 Soluble
86 T U 0.0000 Buried
87 A U 0.0000 Buried
88 Y U -0.6146 Soluble
89 L U 0.0000 Buried
90 Q U -1.3423 Soluble
91 W U 0.0000 Buried
92 S U -0.9894 Soluble
93 S U -1.3879 Soluble
94 L U 0.0000 Buried
95 K U -2.2204 Soluble
96 A U -1.2364 Soluble
97 S U -0.6976 Soluble
98 D U 0.0000 Buried
99 T U -0.2283 Soluble
100 A U 0.0000 Buried
101 M U 0.2358 Aggregation-prone
102 Y U 0.0000 Buried
103 Y U 0.0000 Buried
104 C U 0.0000 Buried
105 A U 0.0000 Buried
106 R U 0.0000 Buried
107 V U 0.0000 Buried
108 G U -0.3118 Soluble
109 P U -0.3503 Soluble
110 A U -0.3081 Soluble
111 D U -0.2593 Soluble
112A V U 1.2023 Aggregation-prone
112 W U 0.6863 Aggregation-prone
113 D U 0.1009 Aggregation-prone
114 S U 0.0000 Buried
115 F U 0.0000 Buried
116 D U -0.2377 Soluble
117 Y U 0.0232 Aggregation-prone
118 W U -0.1720 Soluble
119 G U 0.0000 Buried
120 Q U -0.9949 Soluble
121 G U -0.4678 Soluble
122 T U 0.0000 Buried
123 L U 0.4555 Aggregation-prone
124 V U 0.0000 Buried
125 T U -0.2477 Soluble
126 V U 0.0000 Buried
127 S U -1.0052 Soluble
128 S U -1.1277 Soluble
129 A U -0.6881 Soluble
130 S U -0.8228 Soluble
131 T U -0.9088 Soluble
132 K U -1.7737 Soluble
133 G U -1.6871 Soluble
134 P U 0.0000 Buried
135 S U -0.6308 Soluble
136 V U 0.0000 Buried
137 F U 0.0000 Buried
138 P U -1.2327 Soluble
139 L U 0.0000 Buried
140 A U -0.8614 Soluble
141 P U 0.0000 Buried
142 S U -1.0209 Soluble
143 S U -1.2448 Soluble
144 K U -1.9977 Soluble
145 S U -1.3318 Soluble
146 T U -0.9755 Soluble
147 S U -0.8180 Soluble
148 G U -0.8446 Soluble
149 G U -0.8571 Soluble
150 T U -0.5851 Soluble
151 A U 0.0000 Buried
152 A U 0.0000 Buried
153 L U 0.0000 Buried
154 G U 0.0000 Buried
155 C U 0.0000 Buried
156 L U 0.0000 Buried
157 V U 0.0000 Buried
158 K U 0.0000 Buried
159 D U -0.5992 Soluble
160 Y U 0.0000 Buried
161 F U 0.0000 Buried
162 P U 0.0000 Buried
163 E U -0.8554 Soluble
164 P U -0.9714 Soluble
165 V U -0.7642 Soluble
166 T U -0.5874 Soluble
167 V U -0.1963 Soluble
168 S U -0.3307 Soluble
169 W U 0.0000 Buried
170 N U -0.7068 Soluble
171 S U -0.5962 Soluble
172 G U -0.3670 Soluble
173 A U -0.1499 Soluble
174 L U 0.0845 Aggregation-prone
175 T U -0.1213 Soluble
176 S U -0.1822 Soluble
177 G U -0.1751 Soluble
178 V U 0.1387 Aggregation-prone
179 H U -0.3480 Soluble
180 T U 0.0011 Aggregation-prone
181 F U 0.0000 Buried
182 P U -0.4615 Soluble
183 A U -0.0672 Soluble
184 V U 0.2453 Aggregation-prone
185 L U 0.9019 Aggregation-prone
186 Q U 0.1878 Aggregation-prone
187 S U -0.0748 Soluble
188 S U -0.2032 Soluble
189 G U 0.0151 Aggregation-prone
190 L U -0.1088 Soluble
191 Y U 0.1675 Aggregation-prone
192 S U 0.0979 Aggregation-prone
193 L U 0.0000 Buried
194 S U 0.0000 Buried
195 S U 0.0000 Buried
196 V U 0.0000 Buried
197 V U 0.0000 Buried
198 T U -0.1301 Soluble
199 V U 0.0000 Buried
200 P U -0.5997 Soluble
201 S U -0.5956 Soluble
202 S U -0.5886 Soluble
203 S U -0.6061 Soluble
204 L U -0.8302 Soluble
205 G U -0.9975 Soluble
206 T U -0.7305 Soluble
207 Q U -1.2583 Soluble
208 T U -1.0886 Soluble
209 Y U 0.0000 Buried
210 I U -1.3293 Soluble
211 C U 0.0000 Buried
212 N U -1.5176 Soluble
213 V U 0.0000 Buried
214 N U -1.8700 Soluble
215 H U 0.0000 Buried
216 K U -2.8001 Soluble
217 P U -1.8346 Soluble
218 S U -2.0353 Soluble
219 N U -2.6748 Soluble
220 T U -2.1762 Soluble
221 K U -2.7411 Soluble
222 V U -1.7561 Soluble
223 D U -2.6442 Soluble
224 K U -2.3510 Soluble
225 K U -2.4740 Soluble
226 V U 0.0000 Buried
227 E U -2.4619 Soluble
228 P U -1.2296 Soluble
1 D T -1.4084 Soluble
2 I T 0.0000 Buried
3 V T 0.8373 Aggregation-prone
4 M T 0.0000 Buried
5 T T -0.5843 Soluble
6 Q T 0.0000 Buried
7 S T -1.0876 Soluble
8 P T -1.3539 Soluble
9 D T -2.4782 Soluble
10 S T -1.6845 Soluble
11 L T -1.0699 Soluble
12 A T -0.9302 Soluble
13 V T 0.0000 Buried
14 S T -1.5217 Soluble
15 L T -0.5333 Soluble
16 G T -1.3428 Soluble
17 E T -2.9118 Soluble
18 R T -2.8603 Soluble
19 A T 0.0000 Buried
20 T T -0.5862 Soluble
21 I T 0.0000 Buried
22 N T -1.3050 Soluble
23 C T 0.0000 Buried
24 K T -1.6924 Soluble
25 S T 0.0000 Buried
26 S T -0.8633 Soluble
27 Q T -1.4541 Soluble
28 S T -0.9347 Soluble
29 V T 0.0000 Buried
30 L T 0.2367 Aggregation-prone
31 L T 0.0000 Buried
32 S T -0.3601 Soluble
33 P T -0.2293 Soluble
34 W T 0.1574 Aggregation-prone
35 N T -0.9053 Soluble
36 S T -0.4766 Soluble
37 N T -0.0740 Soluble
38 Q T 0.0000 Buried
39 L T 0.0000 Buried
40 A T 0.0000 Buried
41 W T 0.0000 Buried
42 Y T 0.0000 Buried
43 Q T 0.0000 Buried
44 Q T 0.0000 Buried
45 K T -1.7936 Soluble
46 P T -1.3277 Soluble
47 G T -1.3783 Soluble
48 Q T -1.9978 Soluble
49 P T -1.4127 Soluble
50 P T 0.0000 Buried
51 K T -1.6857 Soluble
52 L T 0.0000 Buried
53 L T 0.0000 Buried
54 I T 0.0000 Buried
55 Y T 0.0014 Aggregation-prone
56 G T -0.2991 Soluble
57 A T 0.0000 Buried
65 S T -0.6059 Soluble
66 T T -0.6069 Soluble
67 R T -1.5035 Soluble
68 E T -1.1759 Soluble
69 S T -0.8302 Soluble
70 G T -0.9750 Soluble
71 V T -1.1170 Soluble
72 P T -1.3021 Soluble
74 D T -2.1719 Soluble
75 R T -1.6006 Soluble
76 F T 0.0000 Buried
77 S T -0.8751 Soluble
78 G T -0.4941 Soluble
79 S T -0.8333 Soluble
80 G T -1.2406 Soluble
83 S T -0.9688 Soluble
84 G T -0.9380 Soluble
85 T T -1.6165 Soluble
86 D T -2.5772 Soluble
87 F T 0.0000 Buried
88 T T -0.9229 Soluble
89 L T 0.0000 Buried
90 T T -0.6538 Soluble
91 I T 0.0000 Buried
92 S T -1.8263 Soluble
93 S T -1.8454 Soluble
94 L T 0.0000 Buried
95 Q T -1.2516 Soluble
96 A T -1.0643 Soluble
97 E T -1.9372 Soluble
98 D T 0.0000 Buried
99 V T -0.8967 Soluble
100 A T 0.0000 Buried
101 V T 0.0000 Buried
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 Q T 0.0000 Buried
106 Q T 0.0000 Buried
107 Y T 0.0000 Buried
108 Y T 0.9936 Aggregation-prone
109 L T 1.0165 Aggregation-prone
114 I T 0.5365 Aggregation-prone
115 P T -0.1671 Soluble
116 S T 0.0000 Buried
117 T T 0.0449 Aggregation-prone
118 F T 0.0000 Buried
119 G T 0.0000 Buried
120 Q T -1.3587 Soluble
121 G T 0.0000 Buried
122 T T 0.0000 Buried
123 K T -2.2518 Soluble
124 V T 0.0000 Buried
125 E T -1.2945 Soluble
126 I T 0.0000 Buried
127 K T -1.9795 Soluble
128 R T -1.2140 Soluble
129 T T -0.1652 Soluble
130 V T 0.4629 Aggregation-prone
131 A T 0.0668 Aggregation-prone
132 A T -0.0347 Soluble
133 P T 0.0000 Buried
134 S T -0.0476 Soluble
135 V T 0.1793 Aggregation-prone
136 F T 0.3861 Aggregation-prone
137 I T 0.2311 Aggregation-prone
138 F T 0.0000 Buried
139 P T -0.6824 Soluble
140 P T -0.9103 Soluble
141 S T -1.7101 Soluble
142 D T -3.0041 Soluble
143 E T -3.1143 Soluble
144 Q T 0.0000 Buried
145 L T -2.1346 Soluble
146 K T -2.8536 Soluble
147 S T -1.7842 Soluble
148 G T -1.2556 Soluble
149 T T -1.0018 Soluble
150 A T 0.0000 Buried
151 S T 0.0000 Buried
152 V T 0.0000 Buried
153 V T 0.0000 Buried
154 C T 0.0000 Buried
155 L T 0.0000 Buried
156 L T 0.0000 Buried
157 N T 0.0000 Buried
158 N T -0.8059 Soluble
159 F T 0.0000 Buried
160 Y T 0.0000 Buried
161 P T -1.6658 Soluble
162 R T -2.8090 Soluble
163 E T -3.0887 Soluble
164 A T -2.1780 Soluble
165 K T -2.1356 Soluble
166 V T -0.9018 Soluble
167 Q T -0.4660 Soluble
168 W T 0.0000 Buried
169 K T -0.4737 Soluble
170 V T 0.0000 Buried
171 D T -1.9573 Soluble
172 N T -1.4850 Soluble
173 A T -0.2287 Soluble
174 L T 0.7339 Aggregation-prone
175 Q T -0.4270 Soluble
176 S T -0.6904 Soluble
177 G T -1.3700 Soluble
178 N T -1.7586 Soluble
179 S T -1.5947 Soluble
180 Q T -1.6510 Soluble
181 E T -1.9890 Soluble
182 S T -0.9064 Soluble
183 V T -0.8886 Soluble
184 T T -1.2409 Soluble
185 E T -2.3592 Soluble
186 Q T -2.0456 Soluble
187 D T -2.1691 Soluble
188 S T -1.9934 Soluble
189 K T -2.2769 Soluble
190 D T -1.7524 Soluble
191 S T -1.9569 Soluble
192 T T 0.0000 Buried
193 Y T 0.0000 Buried
194 S T 0.0000 Buried
195 L T 0.0000 Buried
196 S T 0.0000 Buried
197 S T 0.0000 Buried
198 T T -0.7934 Soluble
199 L T 0.0000 Buried
200 T T -0.6531 Soluble
201 L T -0.7513 Soluble
202 S T -0.9546 Soluble
203 K T -1.9253 Soluble
204 A T -1.6963 Soluble
205 D T -2.2807 Soluble
206 Y T 0.0000 Buried
207 E T -3.4185 Soluble
208 K T -3.4537 Soluble
209 H T -3.0836 Soluble
210 K T -3.2793 Soluble
211 V T -1.6290 Soluble
212 Y T 0.0000 Buried
213 A T 0.0000 Buried
214 C T 0.0000 Buried
215 E T -0.5928 Soluble
216 V T 0.0000 Buried
217 T T -1.1117 Soluble
218 H T 0.0000 Buried
219 Q T -1.6512 Soluble
220 G T -0.3257 Soluble
221 L T -0.1780 Soluble
222 S T -0.4269 Soluble
223 S T -0.4161 Soluble
224 P T -0.5228 Soluble
225 V T -0.0107 Soluble
226 T T -0.3968 Soluble
227 K T -0.5755 Soluble
228 S T -0.6494 Soluble
229 F T -0.9596 Soluble
230 N T -2.1645 Soluble
231 R T -2.2765 Soluble
232 G T -1.3784 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 -0.695 3.0805 CSV PDB
4.5 -0.7451 3.0344 CSV PDB
5.0 -0.8022 2.9768 CSV PDB
5.5 -0.8555 2.9142 CSV PDB
6.0 -0.8928 2.8498 CSV PDB
6.5 -0.9046 2.7848 CSV PDB
7.0 -0.8913 2.7198 CSV PDB
7.5 -0.8609 2.6552 CSV PDB
8.0 -0.8206 2.5921 CSV PDB
8.5 -0.7722 2.5334 CSV PDB
9.0 -0.7154 2.4849 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH