Nipocalimab / 5whk

A4DAB180_5whk_H_L | Source PDB: 5whk | Chains: H, L | Done
97.34
Yes
10 Å
Yes
Avg A4D Score
-0.6776
Max Score
1.9344
Min Score
-3.2041
Total Score
-285.96
Score CDR
-0.2681
Score non-CDR
-0.729

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSEYAMGWVRQAPGKGLEWVSSIGSSGGQTKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARLAIGDSYWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKQSALTQPASVSGSPGQSITISCTGTGSDVGSYNLVSWYQQHPGKAPKLMIYGDSQRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCASYAGSGIYVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.2041
Maximum Score 1.9344
Average Score -0.6776
Total Score -285.9597

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

Index Residue Chain A4D Score Classification
1 E H -2.0667 Soluble
2 V H -1.0857 Soluble
3 Q H -1.0384 Soluble
4 L H 0.0000 Buried
5 L H 0.7187 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4552 Soluble
8 G H -0.8522 Soluble
9 G H -0.6458 Soluble
11 G H -0.5994 Soluble
12 L H -0.3336 Soluble
13 V H 0.0000 Buried
14 Q H -1.6869 Soluble
15 P H -1.7703 Soluble
16 G H -1.4735 Soluble
17 G H -1.1460 Soluble
18 S H -1.3515 Soluble
19 L H -1.0564 Soluble
20 R H -2.0835 Soluble
21 L H 0.0000 Buried
22 S H -0.4614 Soluble
23 C H 0.0000 Buried
24 A H -0.1231 Soluble
25 A H 0.0000 Buried
26 S H -0.9789 Soluble
27 G H -1.2106 Soluble
28 F H -0.7174 Soluble
29 T H -0.6741 Soluble
30 F H 0.0000 Buried
35 S H -1.3461 Soluble
36 E H -1.8446 Soluble
37 Y H -0.6412 Soluble
38 A H -0.5257 Soluble
39 M 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 0.0000 Buried
44 Q H -0.7845 Soluble
45 A H -1.1776 Soluble
46 P H -0.9749 Soluble
47 G H -1.4896 Soluble
48 K H -2.1975 Soluble
49 G H -1.4030 Soluble
50 L H 0.0000 Buried
51 E H -0.8433 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 S H 0.0000 Buried
56 I H 0.0000 Buried
57 G H -1.1147 Soluble
58 S H -1.1034 Soluble
59 S H -1.2121 Soluble
62 G H -1.1070 Soluble
63 G H -1.2778 Soluble
64 Q H -1.7280 Soluble
65 T H -1.0204 Soluble
66 K H -1.0565 Soluble
67 Y H -1.1801 Soluble
68 A H 0.0000 Buried
69 D H -2.8778 Soluble
70 S H -1.9957 Soluble
71 V H 0.0000 Buried
72 K H -2.6396 Soluble
74 G H -1.7605 Soluble
75 R H -1.3489 Soluble
76 F H 0.0000 Buried
77 T H -0.9391 Soluble
78 I H 0.0000 Buried
79 S H -0.6244 Soluble
80 R H -1.0238 Soluble
81 D H -1.4862 Soluble
82 N H -1.8562 Soluble
83 S H -1.5657 Soluble
84 K H -2.3392 Soluble
85 N H -1.7024 Soluble
86 T H -0.9943 Soluble
87 L H 0.0000 Buried
88 Y H -0.5604 Soluble
89 L H 0.0000 Buried
90 Q H -1.3016 Soluble
91 M H 0.0000 Buried
92 N H -1.6617 Soluble
93 S H -1.3584 Soluble
94 L H 0.0000 Buried
95 R H -2.3256 Soluble
96 A H -1.7148 Soluble
97 E H -2.2245 Soluble
98 D H 0.0000 Buried
99 T H -0.7475 Soluble
100 A H 0.0000 Buried
101 V H 0.1682 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 L H 0.6767 Aggregation-prone
108 A H 1.0535 Aggregation-prone
109 I H 1.9344 Aggregation-prone
114 G H 0.4054 Aggregation-prone
115 D H -0.0792 Soluble
116 S H 0.1329 Aggregation-prone
117 Y H 0.0954 Aggregation-prone
118 W H -0.0401 Soluble
119 G H 0.0000 Buried
120 Q H -1.3060 Soluble
121 G H -0.5059 Soluble
122 T H -0.0931 Soluble
123 M H -0.0620 Soluble
124 V H 0.0000 Buried
125 T H -0.5129 Soluble
126 V H 0.0000 Buried
127 S H -0.9899 Soluble
128 S H -0.8614 Soluble
129 A H -0.4676 Soluble
130 S H -0.5840 Soluble
131 T H -0.6893 Soluble
132 K H -1.1135 Soluble
133 G H -1.3935 Soluble
134 P H 0.0000 Buried
135 S H -0.3194 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2626 Soluble
139 L H 0.0000 Buried
140 A H -1.3395 Soluble
141 P H 0.0000 Buried
142 S H -0.5667 Soluble
143 G H -0.6180 Soluble
144 T H -0.4779 Soluble
145 A H 0.0000 Buried
146 A H -0.0983 Soluble
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H -0.3009 Soluble
153 D H -0.3284 Soluble
154 Y H 0.0000 Buried
155 F H -0.1510 Soluble
156 P H 0.0000 Buried
157 E H -0.6010 Soluble
158 P H -0.8598 Soluble
159 V H -0.8046 Soluble
160 T H -0.7569 Soluble
161 V H -0.4189 Soluble
162 S H -0.3914 Soluble
163 W H 0.0000 Buried
164 N H -0.7063 Soluble
165 S H -0.5760 Soluble
166 G H -0.4529 Soluble
167 A H -0.2052 Soluble
168 L H 0.0059 Aggregation-prone
169 T H -0.1920 Soluble
170 S H -0.2741 Soluble
171 G H -0.3586 Soluble
172 V H 0.1058 Aggregation-prone
173 H H -0.1961 Soluble
174 T H -0.0382 Soluble
175 F H 0.0000 Buried
176 P H -0.2441 Soluble
177 A H 0.0934 Aggregation-prone
178 V H 0.0000 Buried
179 L H 1.2879 Aggregation-prone
180 Q H 0.2964 Aggregation-prone
181 S H -0.1248 Soluble
182 S H -0.1785 Soluble
183 G H 0.0575 Aggregation-prone
184 L H 0.2279 Aggregation-prone
185 Y H 0.4496 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.2360 Soluble
193 V H 0.0000 Buried
194 P H -0.5485 Soluble
195 S H -0.5136 Soluble
196 S H -0.5584 Soluble
197 S H -0.5302 Soluble
198 L H -0.7127 Soluble
199 G H -0.9118 Soluble
200 T H -0.6130 Soluble
201 Q H -1.0350 Soluble
202 T H -1.0787 Soluble
203 Y H 0.0000 Buried
204 I H -1.2893 Soluble
205 C H 0.0000 Buried
206 N H -1.4630 Soluble
207 V H 0.0000 Buried
208 N H -2.3289 Soluble
209 H H 0.0000 Buried
210 K H -2.8755 Soluble
211 P H -1.5675 Soluble
212 S H -1.8060 Soluble
213 N H -2.6570 Soluble
214 T H -2.1913 Soluble
215 K H -2.8064 Soluble
216 V H -1.6601 Soluble
217 D H -2.1891 Soluble
218 K H -2.1354 Soluble
219 R H -2.6436 Soluble
220 V H 0.0000 Buried
221 E H -2.9091 Soluble
222 P H -1.9698 Soluble
223 K H -2.3267 Soluble
1 Q L -1.6830 Soluble
2 S L -1.0958 Soluble
3 A L -0.4041 Soluble
4 L L 0.0000 Buried
5 T L -0.2356 Soluble
6 Q L 0.0000 Buried
7 P L -0.0951 Soluble
8 A L -0.0976 Soluble
11 V L 0.3697 Aggregation-prone
12 S L 0.1613 Aggregation-prone
13 G L 0.0000 Buried
14 S L -0.4724 Soluble
15 P L -0.8606 Soluble
16 G L -1.2338 Soluble
17 Q L -1.3825 Soluble
18 S L -0.9815 Soluble
19 I L 0.0000 Buried
20 T L -0.0887 Soluble
21 I L 0.0000 Buried
22 S L -0.2793 Soluble
23 C L 0.0000 Buried
24 T L -0.8009 Soluble
25 G L -0.9863 Soluble
26 T L 0.0000 Buried
27 G L -1.3899 Soluble
28 S L -0.8584 Soluble
29 D L -1.0539 Soluble
30 V L 0.7022 Aggregation-prone
31 G L 0.0015 Aggregation-prone
35 S L -0.0529 Soluble
36 Y L 0.7262 Aggregation-prone
37 N L 0.0000 Buried
38 L L 0.6843 Aggregation-prone
39 V L 0.0000 Buried
40 S L 0.0368 Aggregation-prone
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 H L -1.8064 Soluble
46 P L -1.4740 Soluble
47 G L -1.6711 Soluble
48 K L -2.5964 Soluble
49 A L -1.6633 Soluble
50 P L 0.0000 Buried
51 K L -1.9125 Soluble
52 L L 0.0000 Buried
53 M L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0926 Soluble
56 G L -0.1637 Soluble
57 D L -0.8702 Soluble
65 S L -0.9811 Soluble
66 Q L -1.4354 Soluble
67 R L -1.5173 Soluble
68 P L -0.9681 Soluble
69 S L -0.8785 Soluble
70 G L -0.7861 Soluble
71 V L -0.9806 Soluble
72 S L -1.0506 Soluble
74 N L -1.8115 Soluble
75 R L -1.2385 Soluble
76 F L 0.0000 Buried
77 S L -0.9008 Soluble
78 G L 0.0000 Buried
79 S L -0.8579 Soluble
80 K L -1.2450 Soluble
83 S L -1.1901 Soluble
84 G L -1.5006 Soluble
85 N L -1.9490 Soluble
86 T L -1.2462 Soluble
87 A L 0.0000 Buried
88 S L -0.4466 Soluble
89 L L 0.0000 Buried
90 T L -0.3058 Soluble
91 I L 0.0000 Buried
92 S L -1.0693 Soluble
93 G L -1.0288 Soluble
94 L L 0.0000 Buried
95 Q L -1.4134 Soluble
96 A L -1.2837 Soluble
97 E L -2.1951 Soluble
98 D L 0.0000 Buried
99 E L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -0.8935 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 Y L 0.9052 Aggregation-prone
108 A L 0.5459 Aggregation-prone
109 G L 0.2558 Aggregation-prone
113 S L -0.3439 Soluble
114 G L -0.1385 Soluble
115 I L 0.2924 Aggregation-prone
116 Y L 0.3365 Aggregation-prone
117 V L 0.1040 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 T L -0.5352 Soluble
121 G L -0.6528 Soluble
122 T L 0.0000 Buried
123 K L -0.5779 Soluble
124 V L 0.0000 Buried
125 T L -0.1280 Soluble
126 V L 0.0000 Buried
127 L L 0.5874 Aggregation-prone
128 G L -0.3683 Soluble
129 Q L -0.6745 Soluble
130 P L -1.3011 Soluble
131 K L -2.5695 Soluble
132 A L -1.9694 Soluble
133 N L -2.1372 Soluble
134 P L 0.0000 Buried
135 T L -0.6726 Soluble
136 V L 0.0000 Buried
137 T L -0.4091 Soluble
138 L L -0.3694 Soluble
139 F L 0.0000 Buried
140 P L -0.0368 Soluble
141 P L 0.0000 Buried
142 S L -1.0609 Soluble
143 S L -1.6234 Soluble
144 E L -2.1608 Soluble
145 E L 0.0000 Buried
146 L L -1.8832 Soluble
147 Q L -2.2536 Soluble
148 A L -1.8318 Soluble
149 N L -2.5505 Soluble
150 K L -2.3488 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 -0.6959 Soluble
159 D L -1.6195 Soluble
160 F L 0.0000 Buried
161 Y L -1.4993 Soluble
162 P L -1.1178 Soluble
163 G L -0.8829 Soluble
164 A L -0.4220 Soluble
165 V L -0.2542 Soluble
166 T L -0.0268 Soluble
167 V L 0.1265 Aggregation-prone
168 A L -0.4460 Soluble
169 W L 0.0000 Buried
170 K L -1.0827 Soluble
171 A L 0.0000 Buried
172 D L -1.5878 Soluble
173 G L -1.2187 Soluble
174 S L -0.9880 Soluble
175 P L -0.9732 Soluble
176 V L -0.9237 Soluble
177 K L -1.7068 Soluble
178 A L -0.8586 Soluble
179 G L -0.7049 Soluble
180 V L -0.5265 Soluble
181 E L -0.4803 Soluble
182 T L -0.3725 Soluble
183 T L -0.7535 Soluble
184 K L -1.7137 Soluble
185 P L -1.0346 Soluble
186 S L -0.9509 Soluble
187 K L -1.1240 Soluble
188 Q L -1.1741 Soluble
189 S L -1.3586 Soluble
190 N L -1.6626 Soluble
191 N L -1.5393 Soluble
192 K L -1.7146 Soluble
193 Y L -1.0984 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 -0.6011 Soluble
201 L L 0.0000 Buried
202 T L -1.8150 Soluble
203 P L -2.4312 Soluble
204 E L -3.1719 Soluble
205 Q L -2.4443 Soluble
206 W L 0.0000 Buried
207 K L -3.2041 Soluble
208 S L -2.4538 Soluble
209 H L -2.5104 Soluble
210 R L -2.6267 Soluble
211 S L -1.6254 Soluble
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -1.0416 Soluble
216 V L 0.0000 Buried
217 T L -0.8034 Soluble
218 H L 0.0000 Buried
219 E L -2.4772 Soluble
220 G L -1.4457 Soluble
221 S L -1.0866 Soluble
222 T L -0.8617 Soluble
223 V L -0.8617 Soluble
224 E L -2.1607 Soluble
225 K L -1.8607 Soluble
226 T L -1.0414 Soluble
227 V L -0.3374 Soluble
228 A L -0.9092 Soluble
229 P L -1.1642 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 -0.6493 3.0924 CSV PDB
4.5 -0.6821 3.0591 CSV PDB
5.0 -0.7202 3.0243 CSV PDB
5.5 -0.7546 2.989 CSV PDB
6.0 -0.7751 2.9537 CSV PDB
6.5 -0.7737 2.9184 CSV PDB
7.0 -0.7508 2.8837 CSV PDB
7.5 -0.7141 2.8506 CSV PDB
8.0 -0.6704 2.8216 CSV PDB
8.5 -0.6221 2.8007 CSV PDB
9.0 -0.5701 2.7893 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH