Denrakibart / 5wk3

A4DAB084_5wk3_W_V | Source PDB: 5wk3 | Chains: W, V | Done
96.15
Yes
10 Å
Yes
Avg A4D Score
-0.6709
Max Score
1.4608
Min Score
-3.8649
Total Score
-293.18
Score CDR
-0.2949
Score non-CDR
-0.7239

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) W (Heavy), V (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 -3.8649
Maximum Score 1.4608
Average Score -0.6709
Total Score -293.1819

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

Index Residue Chain A4D Score Classification
1 E W -2.1195 Soluble
2 V W -1.3242 Soluble
3 Q W -1.4697 Soluble
4 L W 0.0000 Buried
5 V W 0.1362 Aggregation-prone
6 Q W 0.0000 Buried
7 S W -0.4441 Soluble
8 G W -0.4349 Soluble
9 A W -0.0406 Soluble
11 E W -0.2024 Soluble
12 V W 0.1250 Aggregation-prone
13 K W -1.1639 Soluble
14 K W -1.8160 Soluble
15 P W -1.9363 Soluble
16 G W -1.8415 Soluble
17 E W -1.9106 Soluble
18 S W -1.6330 Soluble
19 L W 0.0000 Buried
20 K W -1.6754 Soluble
21 I W 0.0000 Buried
22 S W -0.5076 Soluble
23 C W 0.0000 Buried
24 K W -0.7864 Soluble
25 G W 0.0000 Buried
26 S W -0.7761 Soluble
27 G W -1.2833 Soluble
28 Y W -0.6080 Soluble
29 S W -0.2291 Soluble
30 F W 0.0000 Buried
35 T W -0.9630 Soluble
36 S W -0.2012 Soluble
37 Y W 0.0895 Aggregation-prone
38 W W 0.0156 Aggregation-prone
39 I W 0.0000 Buried
40 G W 0.0000 Buried
41 W W 0.0000 Buried
42 V W 0.0000 Buried
43 R W -0.7415 Soluble
44 Q W -0.8824 Soluble
45 M W -0.8447 Soluble
46 P W -0.9343 Soluble
47 G W -1.4246 Soluble
48 K W -2.3412 Soluble
49 G W -1.6388 Soluble
50 L W 0.0000 Buried
51 E W -1.1835 Soluble
52 W W 0.0000 Buried
53 M W 0.0000 Buried
54 G W 0.0000 Buried
55 I W 0.0000 Buried
56 I W 0.0000 Buried
57 D W -1.2197 Soluble
58 P W 0.0000 Buried
59 S W -1.6485 Soluble
62 D W -2.4034 Soluble
63 S W -1.8735 Soluble
64 D W -1.5070 Soluble
65 T W -0.9795 Soluble
66 R W -1.0469 Soluble
67 Y W -0.7357 Soluble
68 S W 0.0000 Buried
69 P W -0.9520 Soluble
70 S W -0.8855 Soluble
71 F W 0.0000 Buried
72 Q W -1.8401 Soluble
74 G W -1.4417 Soluble
75 Q W -1.4974 Soluble
76 V W 0.0000 Buried
77 T W -0.8528 Soluble
78 I W 0.0000 Buried
79 S W -0.7298 Soluble
80 A W -1.1145 Soluble
81 D W -1.2737 Soluble
82 K W -1.9616 Soluble
83 S W -0.3351 Soluble
84 I W 0.8892 Aggregation-prone
85 S W -0.3744 Soluble
86 T W 0.0000 Buried
87 A W 0.0000 Buried
88 Y W -0.5810 Soluble
89 L W 0.0000 Buried
90 Q W -1.2157 Soluble
91 W W 0.0000 Buried
92 S W -1.0640 Soluble
93 S W -1.5336 Soluble
94 L W 0.0000 Buried
95 K W -2.3149 Soluble
96 A W -1.1947 Soluble
97 S W -0.6961 Soluble
98 D W 0.0000 Buried
99 T W -0.2510 Soluble
100 A W 0.0000 Buried
101 M W 0.0680 Aggregation-prone
102 Y W 0.0000 Buried
103 Y W 0.0000 Buried
104 C W 0.0000 Buried
105 A W 0.0000 Buried
106 R W 0.0000 Buried
107 V W 0.0000 Buried
108 G W -0.3663 Soluble
109 P W -0.4551 Soluble
110 A W -0.6035 Soluble
111 D W -0.7269 Soluble
112A V W 0.5812 Aggregation-prone
112 W W 0.3690 Aggregation-prone
113 D W -0.1010 Soluble
114 S W 0.0000 Buried
115 F W 0.0000 Buried
116 D W -0.2833 Soluble
117 Y W -0.1616 Soluble
118 W W -0.2459 Soluble
119 G W 0.0000 Buried
120 Q W -1.0186 Soluble
121 G W -0.4660 Soluble
122 T W 0.0000 Buried
123 L W 0.4379 Aggregation-prone
124 V W 0.0000 Buried
125 T W 0.0000 Buried
126 V W 0.0000 Buried
127 S W -0.8342 Soluble
128 S W -0.8597 Soluble
129 A W -0.5869 Soluble
130 S W -0.7077 Soluble
131 T W -0.8306 Soluble
132 K W -1.6861 Soluble
133 G W -1.5965 Soluble
134 P W 0.0000 Buried
135 S W -0.4852 Soluble
136 V W 0.0000 Buried
137 F W 0.0000 Buried
138 P W -1.1128 Soluble
139 L W 0.0000 Buried
140 A W -0.8552 Soluble
141 P W 0.0000 Buried
142 S W -1.0440 Soluble
143 S W -1.2407 Soluble
144 K W -1.9943 Soluble
145 S W -1.3264 Soluble
146 T W -1.0092 Soluble
147 S W -0.8164 Soluble
148 G W -0.8155 Soluble
149 G W -0.8034 Soluble
150 T W -0.5776 Soluble
151 A W 0.0000 Buried
152 A W 0.0000 Buried
153 L W 0.0000 Buried
154 G W 0.0000 Buried
155 C W 0.0000 Buried
156 L W 0.0000 Buried
157 V W 0.0000 Buried
158 K W 0.0000 Buried
159 D W -0.5995 Soluble
160 Y W 0.0000 Buried
161 F W 0.0000 Buried
162 P W 0.0000 Buried
163 E W -0.6459 Soluble
164 P W -0.9135 Soluble
165 V W -0.7251 Soluble
166 T W -0.5524 Soluble
167 V W -0.2044 Soluble
168 S W -0.3960 Soluble
169 W W 0.0000 Buried
170 N W -0.7816 Soluble
171 S W -0.6935 Soluble
172 G W -0.5299 Soluble
173 A W -0.2477 Soluble
174 L W -0.0192 Soluble
175 T W -0.1725 Soluble
176 S W -0.1904 Soluble
177 G W -0.2117 Soluble
178 V W 0.1348 Aggregation-prone
179 H W -0.2258 Soluble
180 T W 0.0060 Aggregation-prone
181 F W 0.0000 Buried
182 P W -0.3522 Soluble
183 A W -0.0212 Soluble
184 V W 0.3493 Aggregation-prone
185 L W 1.0696 Aggregation-prone
186 Q W 0.2364 Aggregation-prone
187 S W -0.0609 Soluble
188 S W -0.2116 Soluble
189 G W -0.0032 Soluble
190 L W -0.0841 Soluble
191 Y W 0.2252 Aggregation-prone
192 S W 0.1379 Aggregation-prone
193 L W 0.0000 Buried
194 S W 0.0000 Buried
195 S W 0.0000 Buried
196 V W 0.0000 Buried
197 V W 0.0000 Buried
198 T W -0.1238 Soluble
199 V W 0.0000 Buried
200 P W -0.5916 Soluble
201 S W -0.5306 Soluble
202 S W -0.5807 Soluble
203 S W -0.6587 Soluble
204 L W -0.8560 Soluble
205 G W -0.9965 Soluble
206 T W -0.7822 Soluble
207 Q W -1.3704 Soluble
208 T W -1.1500 Soluble
209 Y W 0.0000 Buried
210 I W -1.3717 Soluble
211 C W 0.0000 Buried
212 N W -1.4716 Soluble
213 V W 0.0000 Buried
214 N W -1.8380 Soluble
215 H W 0.0000 Buried
216 K W -2.7725 Soluble
217 P W -1.7035 Soluble
218 S W -1.9672 Soluble
219 N W -2.6446 Soluble
220 T W -2.1301 Soluble
221 K W -2.6950 Soluble
222 V W -1.6586 Soluble
223 D W -2.5828 Soluble
224 K W -2.2514 Soluble
225 K W -2.4200 Soluble
226 V W 0.0000 Buried
227 E W -2.4572 Soluble
228 P W -1.2321 Soluble
2 I V 1.1165 Aggregation-prone
3 V V 1.4608 Aggregation-prone
4 M V 0.0000 Buried
5 T V -0.4631 Soluble
6 Q V 0.0000 Buried
7 S V -1.2473 Soluble
8 P V -1.2772 Soluble
9 D V -2.3196 Soluble
10 S V -1.3439 Soluble
11 L V -0.6947 Soluble
12 A V -0.3557 Soluble
13 V V -0.6872 Soluble
14 S V -0.5829 Soluble
15 L V 0.3577 Aggregation-prone
16 G V -0.6169 Soluble
17 E V -1.6295 Soluble
18 R V -2.2478 Soluble
19 A V 0.0000 Buried
20 T V -0.6143 Soluble
21 I V 0.0000 Buried
22 N V -1.3497 Soluble
23 C V 0.0000 Buried
24 K V -1.6282 Soluble
25 S V 0.0000 Buried
26 S V -0.4371 Soluble
27 Q V -1.1576 Soluble
28 S V -0.8861 Soluble
29 V V 0.0000 Buried
30 L V 0.1919 Aggregation-prone
31 L V 0.0000 Buried
32 S V -0.4126 Soluble
33 P V -0.2383 Soluble
34 W V 0.0679 Aggregation-prone
35 N V -0.9284 Soluble
36 S V -0.5334 Soluble
37 N V -0.1542 Soluble
38 Q V 0.0000 Buried
39 L V 0.0000 Buried
40 A V 0.0000 Buried
41 W V 0.0000 Buried
42 Y V 0.0000 Buried
43 Q V 0.0000 Buried
44 Q V 0.0000 Buried
45 K V -1.5900 Soluble
46 P V -1.1765 Soluble
47 G V -1.3728 Soluble
48 Q V -1.9894 Soluble
49 P V -1.3504 Soluble
50 P V 0.0000 Buried
51 K V -1.4071 Soluble
52 L V 0.0000 Buried
53 L V 0.0000 Buried
54 I V 0.0000 Buried
55 Y V -0.1570 Soluble
56 G V -0.4125 Soluble
57 A V 0.0000 Buried
65 S V -0.6379 Soluble
66 T V -0.6266 Soluble
67 R V -1.4195 Soluble
68 E V -1.1286 Soluble
69 S V -0.8363 Soluble
70 G V -1.0398 Soluble
71 V V 0.0000 Buried
72 P V -1.3864 Soluble
74 D V -2.2037 Soluble
75 R V -1.5486 Soluble
76 F V 0.0000 Buried
77 S V -0.8859 Soluble
78 G V 0.0000 Buried
79 S V -0.8635 Soluble
80 G V -1.3087 Soluble
83 S V -1.0274 Soluble
84 G V -1.0095 Soluble
85 T V -1.6375 Soluble
86 D V -2.5826 Soluble
87 F V 0.0000 Buried
88 T V -0.9560 Soluble
89 L V 0.0000 Buried
90 T V -0.6669 Soluble
91 I V 0.0000 Buried
92 S V -1.6476 Soluble
93 S V -1.3054 Soluble
94 L V 0.0000 Buried
95 Q V -1.0050 Soluble
96 A V -1.0548 Soluble
97 E V -1.8766 Soluble
98 D V 0.0000 Buried
99 V V -0.8567 Soluble
100 A V 0.0000 Buried
101 V V -0.6299 Soluble
102 Y V 0.0000 Buried
103 Y V 0.0000 Buried
104 C V 0.0000 Buried
105 Q V 0.0000 Buried
106 Q V 0.0000 Buried
107 Y V 0.0000 Buried
108 Y V 1.0691 Aggregation-prone
109 L V 1.2598 Aggregation-prone
114 I V 0.7999 Aggregation-prone
115 P V 0.2338 Aggregation-prone
116 S V 0.0000 Buried
117 T V 0.3736 Aggregation-prone
118 F V 0.0000 Buried
119 G V 0.0000 Buried
120 Q V -1.7626 Soluble
121 G V -1.4195 Soluble
122 T V 0.0000 Buried
123 K V -1.3235 Soluble
124 V V 0.0000 Buried
125 E V -0.7635 Soluble
126 I V 0.0000 Buried
127 K V -1.0348 Soluble
128 R V -0.7904 Soluble
129 T V -0.0680 Soluble
130 V V 0.4561 Aggregation-prone
131 A V 0.0393 Aggregation-prone
132 A V -0.0472 Soluble
133 P V 0.0000 Buried
134 S V -0.0712 Soluble
135 V V 0.0499 Aggregation-prone
136 F V 0.1068 Aggregation-prone
137 I V -0.0075 Soluble
138 F V 0.0000 Buried
139 P V -0.8412 Soluble
140 P V -0.9715 Soluble
141 S V -1.5673 Soluble
142 D V -2.8219 Soluble
143 E V -2.7369 Soluble
144 Q V 0.0000 Buried
145 L V -1.9724 Soluble
146 K V -2.6897 Soluble
147 S V -1.6481 Soluble
148 G V -1.1831 Soluble
149 T V -0.9073 Soluble
150 A V 0.0000 Buried
151 S V 0.0000 Buried
152 V V 0.0000 Buried
153 V V 0.0000 Buried
154 C V 0.0000 Buried
155 L V 0.0000 Buried
156 L V 0.0000 Buried
157 N V 0.0000 Buried
158 N V -0.7785 Soluble
159 F V 0.0000 Buried
160 Y V 0.0000 Buried
161 P V -1.6232 Soluble
162 R V -2.7928 Soluble
163 E V -3.1674 Soluble
164 A V -2.2826 Soluble
165 K V -2.3783 Soluble
166 V V -1.0077 Soluble
167 Q V -0.6161 Soluble
168 W V 0.0000 Buried
169 K V -0.5827 Soluble
170 V V 0.0000 Buried
171 D V -1.7175 Soluble
172 N V -1.3496 Soluble
173 A V -0.3145 Soluble
174 L V 0.7093 Aggregation-prone
175 Q V -0.3593 Soluble
176 S V -0.7769 Soluble
177 G V -1.3610 Soluble
178 N V -1.7578 Soluble
179 S V -1.5998 Soluble
180 Q V -1.6273 Soluble
181 E V -1.9715 Soluble
182 S V -0.9064 Soluble
183 V V -0.6789 Soluble
184 T V -0.7649 Soluble
185 E V -1.3620 Soluble
186 Q V -1.5056 Soluble
187 D V -1.7699 Soluble
188 S V -1.8607 Soluble
189 K V -2.2877 Soluble
190 D V -1.8165 Soluble
191 S V -1.6736 Soluble
192 T V 0.0000 Buried
193 Y V 0.0000 Buried
194 S V 0.0000 Buried
195 L V 0.0000 Buried
196 S V 0.0000 Buried
197 S V 0.0000 Buried
198 T V -0.8179 Soluble
199 L V 0.0000 Buried
200 T V -0.6346 Soluble
201 L V -0.7452 Soluble
202 S V -1.0804 Soluble
203 K V -1.9019 Soluble
204 A V -1.7303 Soluble
205 D V -2.2374 Soluble
206 Y V 0.0000 Buried
207 E V -3.8649 Soluble
208 K V -3.4965 Soluble
209 H V -3.3242 Soluble
210 K V -3.4653 Soluble
211 V V -1.8058 Soluble
212 Y V 0.0000 Buried
213 A V 0.0000 Buried
214 C V 0.0000 Buried
215 E V -0.8580 Soluble
216 V V 0.0000 Buried
217 T V -1.2195 Soluble
218 H V 0.0000 Buried
219 Q V -1.7101 Soluble
220 G V -0.3644 Soluble
221 L V -0.2066 Soluble
222 S V -0.4475 Soluble
223 S V -0.4410 Soluble
224 P V -0.5714 Soluble
225 V V -0.0322 Soluble
226 T V -0.5410 Soluble
227 K V -0.8608 Soluble
228 S V -1.0920 Soluble
229 F V -1.4261 Soluble
230 N V -2.3943 Soluble
231 R V -3.1834 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
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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 -0.6688 2.9893 CSV PDB
4.5 -0.714 2.9445 CSV PDB
5.0 -0.7657 2.8858 CSV PDB
5.5 -0.8142 2.8206 CSV PDB
6.0 -0.8482 2.753 CSV PDB
6.5 -0.8586 2.6847 CSV PDB
7.0 -0.8451 2.6162 CSV PDB
7.5 -0.8157 2.5481 CSV PDB
8.0 -0.7771 2.4812 CSV PDB
8.5 -0.731 2.4179 CSV PDB
9.0 -0.6771 2.3638 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH