Denrakibart / 5wk3

A4DAB084_5wk3_S_R | Source PDB: 5wk3 | Chains: S, R | Done
96.15
Yes
10 Å
Yes
Avg A4D Score
-0.702
Max Score
0.952
Min Score
-3.8767
Total Score
-307.48
Score CDR
-0.3082
Score non-CDR
-0.7574

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) S (Heavy), R (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 -3.8767
Maximum Score 0.952
Average Score -0.702
Total Score -307.4839

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

Index Residue Chain A4D Score Classification
1 E S -2.1985 Soluble
2 V S -1.4504 Soluble
3 Q S -1.6625 Soluble
4 L S 0.0000 Buried
5 V S -0.0318 Soluble
6 Q S 0.0000 Buried
7 S S -0.5334 Soluble
8 G S -0.4637 Soluble
9 A S 0.0839 Aggregation-prone
11 E S -0.1640 Soluble
12 V S 0.4128 Aggregation-prone
13 K S -0.9173 Soluble
14 K S -1.5980 Soluble
15 P S -1.8892 Soluble
16 G S -1.8018 Soluble
17 E S -1.9390 Soluble
18 S S -1.6923 Soluble
19 L S 0.0000 Buried
20 K S -1.9978 Soluble
21 I S 0.0000 Buried
22 S S -0.6191 Soluble
23 C S 0.0000 Buried
24 K S -1.0070 Soluble
25 G S 0.0000 Buried
26 S S -1.2184 Soluble
27 G S -1.3846 Soluble
28 Y S -0.6553 Soluble
29 S S -0.4447 Soluble
30 F S 0.0000 Buried
35 T S -0.9765 Soluble
36 S S -0.2077 Soluble
37 Y S 0.0836 Aggregation-prone
38 W S 0.0244 Aggregation-prone
39 I S 0.0000 Buried
40 G S 0.0000 Buried
41 W S 0.0000 Buried
42 V S 0.0000 Buried
43 R S -0.7329 Soluble
44 Q S -0.8507 Soluble
45 M S -0.8263 Soluble
46 P S -0.8991 Soluble
47 G S -1.3841 Soluble
48 K S -2.2532 Soluble
49 G S -1.4854 Soluble
50 L S 0.0000 Buried
51 E S -1.0476 Soluble
52 W S 0.0000 Buried
53 M S 0.0000 Buried
54 G S 0.0000 Buried
55 I S 0.0000 Buried
56 I S 0.0000 Buried
57 D S -1.0405 Soluble
58 P S 0.0000 Buried
59 S S -1.6187 Soluble
62 D S -2.3891 Soluble
63 S S -1.8506 Soluble
64 D S -1.4927 Soluble
65 T S -0.9823 Soluble
66 R S -1.0567 Soluble
67 Y S -0.8187 Soluble
68 S S 0.0000 Buried
69 P S -1.0314 Soluble
70 S S -0.9604 Soluble
71 F S 0.0000 Buried
72 Q S -2.0022 Soluble
74 G S -1.6686 Soluble
75 Q S -1.9605 Soluble
76 V S 0.0000 Buried
77 T S -0.9212 Soluble
78 I S 0.0000 Buried
79 S S -0.7585 Soluble
80 A S -1.1178 Soluble
81 D S -1.2804 Soluble
82 K S -1.9598 Soluble
83 S S -0.3274 Soluble
84 I S 0.8805 Aggregation-prone
85 S S -0.4557 Soluble
86 T S 0.0000 Buried
87 A S 0.0000 Buried
88 Y S -0.6845 Soluble
89 L S 0.0000 Buried
90 Q S -1.4307 Soluble
91 W S 0.0000 Buried
92 S S -1.1823 Soluble
93 S S -1.5819 Soluble
94 L S 0.0000 Buried
95 K S -2.3323 Soluble
96 A S -1.2429 Soluble
97 S S -0.8470 Soluble
98 D S -0.8685 Soluble
99 T S -0.3209 Soluble
100 A S 0.0000 Buried
101 M S 0.0273 Aggregation-prone
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 A S 0.0000 Buried
106 R S 0.0000 Buried
107 V S 0.0000 Buried
108 G S 0.0000 Buried
109 P S -0.4249 Soluble
110 A S -0.5740 Soluble
111 D S -0.6917 Soluble
112A V S 0.7624 Aggregation-prone
112 W S 0.4377 Aggregation-prone
113 D S -0.0420 Soluble
114 S S 0.0000 Buried
115 F S 0.0000 Buried
116 D S -0.2286 Soluble
117 Y S -0.1187 Soluble
118 W S -0.2306 Soluble
119 G S 0.0000 Buried
120 Q S -1.1114 Soluble
121 G S -0.4330 Soluble
122 T S 0.0000 Buried
123 L S 0.5856 Aggregation-prone
124 V S 0.0000 Buried
125 T S 0.0000 Buried
126 V S 0.0000 Buried
127 S S -0.7605 Soluble
128 S S -0.8888 Soluble
129 A S -0.4858 Soluble
130 S S -0.6120 Soluble
131 T S -0.7437 Soluble
132 K S -1.4601 Soluble
133 G S -1.5685 Soluble
134 P S 0.0000 Buried
135 S S -0.4740 Soluble
136 V S 0.0000 Buried
137 F S 0.0000 Buried
138 P S -1.0930 Soluble
139 L S 0.0000 Buried
140 A S -0.6866 Soluble
141 P S 0.0000 Buried
142 S S -0.8466 Soluble
143 S S -1.2529 Soluble
144 K S -1.9801 Soluble
145 S S -1.3062 Soluble
146 T S -0.9352 Soluble
147 S S -0.7763 Soluble
148 G S -0.7723 Soluble
149 G S -0.7204 Soluble
150 T S -0.5167 Soluble
151 A S 0.0000 Buried
152 A S 0.0000 Buried
153 L S 0.0000 Buried
154 G S 0.0000 Buried
155 C S 0.0000 Buried
156 L S 0.0000 Buried
157 V S 0.0000 Buried
158 K S 0.0000 Buried
159 D S -0.6067 Soluble
160 Y S 0.0000 Buried
161 F S 0.0000 Buried
162 P S 0.0000 Buried
163 E S -1.0944 Soluble
164 P S -1.1806 Soluble
165 V S -0.9774 Soluble
166 T S -0.7776 Soluble
167 V S -0.4912 Soluble
168 S S -0.3936 Soluble
169 W S 0.0000 Buried
170 N S -0.7116 Soluble
171 S S -0.6299 Soluble
172 G S -0.4797 Soluble
173 A S -0.2258 Soluble
174 L S 0.0302 Aggregation-prone
175 T S -0.1541 Soluble
176 S S -0.1862 Soluble
177 G S -0.2397 Soluble
178 V S 0.1263 Aggregation-prone
179 H S -0.3195 Soluble
180 T S 0.0116 Aggregation-prone
181 F S 0.0000 Buried
182 P S -0.4544 Soluble
183 A S -0.0886 Soluble
184 V S 0.1399 Aggregation-prone
185 L S 0.6977 Aggregation-prone
186 Q S 0.0724 Aggregation-prone
187 S S -0.1321 Soluble
188 S S -0.2648 Soluble
189 G S -0.0884 Soluble
190 L S -0.2170 Soluble
191 Y S 0.0000 Buried
192 S S 0.0000 Buried
193 L S 0.0000 Buried
194 S S 0.0000 Buried
195 S S 0.0000 Buried
196 V S 0.0000 Buried
197 V S 0.0000 Buried
198 T S -0.1294 Soluble
199 V S 0.0000 Buried
200 P S -0.5633 Soluble
201 S S -0.5156 Soluble
202 S S -0.5713 Soluble
203 S S -0.6523 Soluble
204 L S -0.8619 Soluble
205 G S -1.0202 Soluble
206 T S -0.7816 Soluble
207 Q S -1.4050 Soluble
208 T S -1.1425 Soluble
209 Y S 0.0000 Buried
210 I S -1.0202 Soluble
211 C S 0.0000 Buried
212 N S -1.4322 Soluble
213 V S 0.0000 Buried
214 N S -2.2738 Soluble
215 H S 0.0000 Buried
216 K S -2.8902 Soluble
217 P S -1.6957 Soluble
218 S S -1.9381 Soluble
219 N S -2.6543 Soluble
220 T S -2.2115 Soluble
221 K S -2.7701 Soluble
222 V S -1.5949 Soluble
223 D S -2.3131 Soluble
224 K S -1.7771 Soluble
225 K S -2.2946 Soluble
226 V S 0.0000 Buried
227 E S -2.4282 Soluble
228 P S -1.2381 Soluble
1 D R -1.4130 Soluble
2 I R 0.0000 Buried
3 V R 0.9099 Aggregation-prone
4 M R 0.0000 Buried
5 T R -0.5886 Soluble
6 Q R 0.0000 Buried
7 S R -1.1552 Soluble
8 P R -1.3793 Soluble
9 D R -2.4415 Soluble
10 S R -1.5805 Soluble
11 L R -0.7594 Soluble
12 A R -0.4417 Soluble
13 V R -0.9448 Soluble
14 S R -0.9157 Soluble
15 L R -0.0565 Soluble
16 G R -1.0988 Soluble
17 E R -2.6603 Soluble
18 R R -2.7449 Soluble
19 A R 0.0000 Buried
20 T R -0.6370 Soluble
21 I R 0.0000 Buried
22 N R -1.4796 Soluble
23 C R 0.0000 Buried
24 K R -1.5432 Soluble
25 S R 0.0000 Buried
26 S R -0.7366 Soluble
27 Q R -1.3164 Soluble
28 S R -0.8344 Soluble
29 V R 0.0000 Buried
30 L R 0.1837 Aggregation-prone
31 L R 0.0000 Buried
32 S R -0.3510 Soluble
33 P R -0.2142 Soluble
34 W R 0.0651 Aggregation-prone
35 N R -0.9181 Soluble
36 S R -0.5284 Soluble
37 N R -0.1111 Soluble
38 Q R 0.0000 Buried
39 L R 0.0000 Buried
40 A R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R 0.0000 Buried
44 Q R 0.0000 Buried
45 K R -1.6528 Soluble
46 P R -1.2272 Soluble
47 G R -1.3145 Soluble
48 Q R -1.8571 Soluble
49 P R -1.2641 Soluble
50 P R 0.0000 Buried
51 K R -1.1633 Soluble
52 L R 0.0000 Buried
53 L R 0.0000 Buried
54 I R 0.0000 Buried
55 Y R 0.0042 Aggregation-prone
56 G R -0.2711 Soluble
57 A R 0.0000 Buried
65 S R -0.6006 Soluble
66 T R -0.5976 Soluble
67 R R -1.4632 Soluble
68 E R -1.1285 Soluble
69 S R -0.8720 Soluble
70 G R -1.0643 Soluble
71 V R 0.0000 Buried
72 P R -1.3937 Soluble
74 D R -2.1998 Soluble
75 R R -1.5300 Soluble
76 F R 0.0000 Buried
77 S R -0.9096 Soluble
78 G R -0.5246 Soluble
79 S R -0.8604 Soluble
80 G R -1.2345 Soluble
83 S R -0.9687 Soluble
84 G R -0.9112 Soluble
85 T R -1.5322 Soluble
86 D R -2.5329 Soluble
87 F R 0.0000 Buried
88 T R -0.9949 Soluble
89 L R 0.0000 Buried
90 T R -0.6736 Soluble
91 I R 0.0000 Buried
92 S R -1.7066 Soluble
93 S R -1.5220 Soluble
94 L R 0.0000 Buried
95 Q R -1.0933 Soluble
96 A R -0.9155 Soluble
97 E R -1.9584 Soluble
98 D R 0.0000 Buried
99 V R -0.7857 Soluble
100 A R 0.0000 Buried
101 V R -0.9403 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 Q R 0.0000 Buried
106 Q R 0.0000 Buried
107 Y R 0.0000 Buried
108 Y R 0.9520 Aggregation-prone
109 L R 0.8095 Aggregation-prone
114 I R 0.4257 Aggregation-prone
115 P R -0.1890 Soluble
116 S R 0.0000 Buried
117 T R 0.0675 Aggregation-prone
118 F R 0.0000 Buried
119 G R 0.0000 Buried
120 Q R -1.4935 Soluble
121 G R 0.0000 Buried
122 T R 0.0000 Buried
123 K R -2.0027 Soluble
124 V R 0.0000 Buried
125 E R -0.8176 Soluble
126 I R -0.6094 Soluble
127 K R -1.1707 Soluble
128 R R -0.7449 Soluble
129 T R -0.0451 Soluble
130 V R 0.4132 Aggregation-prone
131 A R -0.0213 Soluble
132 A R -0.1125 Soluble
133 P R 0.0000 Buried
134 S R -0.1689 Soluble
135 V R 0.0000 Buried
136 F R 0.1174 Aggregation-prone
137 I R 0.0774 Aggregation-prone
138 F R 0.0000 Buried
139 P R -0.7659 Soluble
140 P R 0.0000 Buried
141 S R -1.6096 Soluble
142 D R -2.8685 Soluble
143 E R -2.8183 Soluble
144 Q R 0.0000 Buried
145 L R -2.0118 Soluble
146 K R -2.7403 Soluble
147 S R -1.6649 Soluble
148 G R -1.3422 Soluble
149 T R -0.8710 Soluble
150 A R 0.0000 Buried
151 S R 0.0000 Buried
152 V R 0.0000 Buried
153 V R 0.0000 Buried
154 C R 0.0000 Buried
155 L R 0.0000 Buried
156 L R 0.0000 Buried
157 N R 0.0000 Buried
158 N R -0.9841 Soluble
159 F R 0.0000 Buried
160 Y R 0.0000 Buried
161 P R -1.7616 Soluble
162 R R -3.1490 Soluble
163 E R -3.2627 Soluble
164 A R -2.3267 Soluble
165 K R -2.3416 Soluble
166 V R -0.9276 Soluble
167 Q R -0.4637 Soluble
168 W R 0.0000 Buried
169 K R -0.5316 Soluble
170 V R 0.0000 Buried
171 D R -1.9667 Soluble
172 N R -1.3308 Soluble
173 A R -0.2587 Soluble
174 L R 0.7509 Aggregation-prone
175 Q R -0.3468 Soluble
176 S R -0.6916 Soluble
177 G R -1.3537 Soluble
178 N R -1.7379 Soluble
179 S R -1.5097 Soluble
180 Q R -1.5149 Soluble
181 E R -1.7448 Soluble
182 S R -0.7605 Soluble
183 V R -0.8092 Soluble
184 T R -1.2010 Soluble
185 E R -2.2908 Soluble
186 Q R -1.9296 Soluble
187 D R -1.9029 Soluble
188 S R -1.8480 Soluble
189 K R -2.2452 Soluble
190 D R -1.7513 Soluble
191 S R -1.7286 Soluble
192 T R 0.0000 Buried
193 Y R 0.0000 Buried
194 S R 0.0000 Buried
195 L R 0.0000 Buried
196 S R 0.0000 Buried
197 S R 0.0000 Buried
198 T R -0.7394 Soluble
199 L R 0.0000 Buried
200 T R -0.6969 Soluble
201 L R -0.9205 Soluble
202 S R -1.1507 Soluble
203 K R -2.1130 Soluble
204 A R -2.0463 Soluble
205 D R -2.8772 Soluble
206 Y R 0.0000 Buried
207 E R -3.8636 Soluble
208 K R -3.8767 Soluble
209 H R -3.4683 Soluble
210 K R -3.4857 Soluble
211 V R -1.8696 Soluble
212 Y R 0.0000 Buried
213 A R 0.0000 Buried
214 C R 0.0000 Buried
215 E R -0.7297 Soluble
216 V R 0.0000 Buried
217 T R -1.1493 Soluble
218 H R 0.0000 Buried
219 Q R -1.7209 Soluble
220 G R -0.3886 Soluble
221 L R -0.2087 Soluble
222 S R -0.4372 Soluble
223 S R -0.3857 Soluble
224 P R -0.4643 Soluble
225 V R 0.1221 Aggregation-prone
226 T R -0.3609 Soluble
227 K R -0.5927 Soluble
228 S R -0.7363 Soluble
229 F R -1.3228 Soluble
230 N R -2.5194 Soluble
231 R R -3.2410 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 -0.6898 3.0531 CSV PDB
4.5 -0.7375 3.0427 CSV PDB
5.0 -0.7934 3.0178 CSV PDB
5.5 -0.8472 2.9731 CSV PDB
6.0 -0.8863 2.9127 CSV PDB
6.5 -0.9005 2.8445 CSV PDB
7.0 -0.8896 2.7733 CSV PDB
7.5 -0.8627 2.7013 CSV PDB
8.0 -0.827 2.629 CSV PDB
8.5 -0.7844 2.5569 CSV PDB
9.0 -0.7343 2.486 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH