Nipocalimab / 5whj

A4DAB180_5whj_H_L | Source PDB: 5whj | Chains: H, L | Done
97.34
Yes
10 Å
Yes
Avg A4D Score
-0.7288
Max Score
1.9668
Min Score
-3.2515
Total Score
-311.95
Score CDR
-0.3067
Score non-CDR
-0.7809

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSEYAMGWVRQAPGKGLEWVSSIGSSGGQTKYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARLAIGDSYWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSALTQPASVSGSPGQSITISCTGTGSDVGSYNLVSWYQQHPGKAPKLMIYGDSQRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCASYAGSGIYVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.2515
Maximum Score 1.9668
Average Score -0.7288
Total Score -311.9471

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

Index Residue Chain A4D Score Classification
1 E H -2.1693 Soluble
2 V H -1.3454 Soluble
3 Q H -1.3471 Soluble
4 L H 0.0000 Buried
5 L H 0.9436 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3848 Soluble
8 G H -0.9236 Soluble
9 G H -0.5001 Soluble
11 G H -0.4208 Soluble
12 L H -0.0102 Soluble
13 V H -0.7122 Soluble
14 Q H -1.6899 Soluble
15 P H -1.9011 Soluble
16 G H -1.5800 Soluble
17 G H -1.1844 Soluble
18 S H -1.3195 Soluble
19 L H -1.0516 Soluble
20 R H -2.1009 Soluble
21 L H 0.0000 Buried
22 S H -0.3846 Soluble
23 C H 0.0000 Buried
24 A H -0.1400 Soluble
25 A H 0.0000 Buried
26 S H -0.9562 Soluble
27 G H -1.3278 Soluble
28 F H -0.7931 Soluble
29 T H -0.6703 Soluble
30 F H 0.0000 Buried
35 S H -1.3967 Soluble
36 E H -1.8467 Soluble
37 Y H -0.6221 Soluble
38 A H -0.5366 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 -0.7939 Soluble
45 A H -1.2075 Soluble
46 P H -0.9875 Soluble
47 G H -1.4963 Soluble
48 K H -2.2043 Soluble
49 G H -1.4154 Soluble
50 L H 0.0000 Buried
51 E H -0.8193 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 -1.0571 Soluble
58 S H -1.0912 Soluble
59 S H -1.1380 Soluble
62 G H -1.0146 Soluble
63 G H -1.1939 Soluble
64 Q H -1.6806 Soluble
65 T H -1.0433 Soluble
66 K H -1.2755 Soluble
67 Y H -1.1581 Soluble
68 A H -1.3605 Soluble
69 D H -2.5717 Soluble
70 S H -1.7832 Soluble
71 V H 0.0000 Buried
72 K H -2.7448 Soluble
74 G H -1.8264 Soluble
75 R H -1.6356 Soluble
76 F H 0.0000 Buried
77 T H -0.9493 Soluble
78 I H 0.0000 Buried
79 S H -0.4711 Soluble
80 R H -1.1019 Soluble
81 D H -1.6848 Soluble
82 N H -1.9450 Soluble
83 S H -1.6299 Soluble
84 K H -2.4401 Soluble
85 N H -1.9173 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.5290 Soluble
89 L H 0.0000 Buried
90 Q H -1.2681 Soluble
91 M H 0.0000 Buried
92 N H -1.6018 Soluble
93 S H -1.4495 Soluble
94 L H 0.0000 Buried
95 R H -2.9217 Soluble
96 A H -2.0050 Soluble
97 E H -2.4208 Soluble
98 D H 0.0000 Buried
99 T H -0.8469 Soluble
100 A H 0.0000 Buried
101 V H 0.1444 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 0.7281 Aggregation-prone
108 A H 1.0939 Aggregation-prone
109 I H 1.9668 Aggregation-prone
114 G H 0.3922 Aggregation-prone
115 D H -0.0254 Soluble
116 S H 0.1770 Aggregation-prone
117 Y H -0.0262 Soluble
118 W H -0.0599 Soluble
119 G H 0.0000 Buried
120 Q H -1.2840 Soluble
121 G H 0.0000 Buried
122 T H -0.0118 Soluble
123 M H 0.0482 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5354 Soluble
126 V H 0.0000 Buried
127 S H -1.0564 Soluble
128 S H -0.8638 Soluble
129 A H -0.4763 Soluble
130 S H -0.6575 Soluble
131 T H -0.8361 Soluble
132 K H -1.5121 Soluble
133 G H -1.7742 Soluble
134 P H -0.9372 Soluble
135 S H -0.4531 Soluble
136 V H 0.0000 Buried
137 F H -0.5131 Soluble
138 P H -1.1003 Soluble
139 L H 0.0000 Buried
140 A H -1.3240 Soluble
141 P H 0.0000 Buried
142 S H -1.0362 Soluble
143 S H -1.4457 Soluble
144 K H -2.3575 Soluble
145 S H -1.4766 Soluble
146 T H -1.0051 Soluble
147 S H -1.1314 Soluble
148 G H -1.0999 Soluble
149 G H -0.9994 Soluble
150 T H -0.7633 Soluble
151 A H 0.0000 Buried
152 A H -0.1078 Soluble
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.5139 Soluble
159 D H -0.8640 Soluble
160 Y H 0.0000 Buried
161 F H -0.4895 Soluble
162 P H 0.0000 Buried
163 E H -0.7768 Soluble
164 P H -1.0353 Soluble
165 V H 0.0000 Buried
166 T H -0.9269 Soluble
167 V H 0.0000 Buried
168 S H -0.5407 Soluble
169 W H 0.0000 Buried
170 N H -0.7912 Soluble
171 S H -0.6931 Soluble
172 G H -0.4738 Soluble
173 A H -0.1964 Soluble
174 L H 0.0413 Aggregation-prone
175 T H -0.1763 Soluble
176 S H -0.2730 Soluble
177 G H -0.3721 Soluble
178 V H 0.0889 Aggregation-prone
179 H H -0.2112 Soluble
180 T H -0.0733 Soluble
181 F H 0.0000 Buried
182 P H -0.2912 Soluble
183 A H -0.0129 Soluble
184 V H 0.0000 Buried
185 L H 0.9643 Aggregation-prone
186 Q H 0.1361 Aggregation-prone
187 S H -0.1721 Soluble
188 S H -0.2709 Soluble
189 G H -0.0308 Soluble
190 L H -0.1310 Soluble
191 Y H 0.1318 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.2237 Soluble
199 V H 0.0000 Buried
200 P H -0.6539 Soluble
201 S H 0.0000 Buried
202 S H -1.0976 Soluble
203 S H -0.9234 Soluble
204 L H 0.0000 Buried
205 G H -1.3128 Soluble
206 T H -0.8053 Soluble
207 Q H -1.2809 Soluble
208 T H -1.1556 Soluble
209 Y H 0.0000 Buried
210 I H -1.4213 Soluble
211 C H 0.0000 Buried
212 N H -1.7185 Soluble
213 V H 0.0000 Buried
214 N H -2.4922 Soluble
215 H H 0.0000 Buried
216 K H -2.9993 Soluble
217 P H -1.7784 Soluble
218 S H -1.9387 Soluble
219 N H -2.7074 Soluble
220 T H -2.2980 Soluble
221 K H -2.9396 Soluble
222 V H -1.9285 Soluble
223 D H -2.7299 Soluble
224 K H -2.3501 Soluble
225 R H -2.7181 Soluble
226 V H 0.0000 Buried
227 E H -2.9189 Soluble
228 P H -2.3102 Soluble
229 K H -2.5397 Soluble
2 S L -0.1834 Soluble
3 A L -0.1228 Soluble
4 L L 0.0000 Buried
5 T L -0.1748 Soluble
6 Q L 0.0000 Buried
7 P L -0.2273 Soluble
8 A L -0.3161 Soluble
9 S L -0.4724 Soluble
11 V L -0.2072 Soluble
12 S L -0.0927 Soluble
13 G L 0.0000 Buried
14 S L -0.6851 Soluble
15 P L -1.0865 Soluble
16 G L -1.4588 Soluble
17 Q L -1.7190 Soluble
18 S L -1.1425 Soluble
19 I L 0.0000 Buried
20 T L -0.1459 Soluble
21 I L 0.0000 Buried
22 S L -0.2435 Soluble
23 C L 0.0000 Buried
24 T L -0.5619 Soluble
25 G L -0.6281 Soluble
26 T L -0.7940 Soluble
27 G L -0.9898 Soluble
28 S L -0.5759 Soluble
29 D L 0.0000 Buried
30 V L 0.0000 Buried
31 G L -1.2187 Soluble
35 S L -0.5549 Soluble
36 Y L -0.1086 Soluble
37 N L -0.8696 Soluble
38 L L 0.4486 Aggregation-prone
39 V L 0.0000 Buried
40 S L -0.1154 Soluble
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 -1.6449 Soluble
46 P L -1.3982 Soluble
47 G L -1.6353 Soluble
48 K L -2.5396 Soluble
49 A L -1.5909 Soluble
50 P L 0.0000 Buried
51 K L -1.6266 Soluble
52 L L 0.0000 Buried
53 M L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3893 Soluble
56 G L -0.4453 Soluble
57 D L 0.0000 Buried
65 S L -1.2680 Soluble
66 Q L -1.7737 Soluble
67 R L -1.8877 Soluble
68 P L -1.0463 Soluble
69 S L -0.8399 Soluble
70 G L -0.8065 Soluble
71 V L -1.0662 Soluble
72 S L -1.1188 Soluble
74 N L -1.7915 Soluble
75 R L -1.3361 Soluble
76 F L 0.0000 Buried
77 S L -1.0707 Soluble
78 G L 0.0000 Buried
79 S L -0.8524 Soluble
80 K L -1.1225 Soluble
83 S L -0.9066 Soluble
84 G L -1.2000 Soluble
85 N L -1.3208 Soluble
86 T L -0.8856 Soluble
87 A L 0.0000 Buried
88 S L -0.3639 Soluble
89 L L 0.0000 Buried
90 T L -0.3090 Soluble
91 I L 0.0000 Buried
92 S L -1.1981 Soluble
93 G L -1.3460 Soluble
94 L L 0.0000 Buried
95 Q L -1.6950 Soluble
96 A L -1.3785 Soluble
97 E L -2.1926 Soluble
98 D L 0.0000 Buried
99 E L -1.2049 Soluble
100 A L 0.0000 Buried
101 D L -1.0919 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 0.6001 Aggregation-prone
108 A L 0.3849 Aggregation-prone
109 G L 0.1124 Aggregation-prone
113 S L -0.3627 Soluble
114 G L -0.2078 Soluble
115 I L 0.6033 Aggregation-prone
116 Y L 0.7230 Aggregation-prone
117 V L 0.4210 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 T L -0.4605 Soluble
121 G L -0.7116 Soluble
122 T L 0.0000 Buried
123 K L -1.0421 Soluble
124 V L 0.0000 Buried
125 T L -0.3598 Soluble
126 V L 0.0000 Buried
127 L L 0.3575 Aggregation-prone
128 G L -0.4839 Soluble
129 Q L -0.8473 Soluble
130 P L -1.3624 Soluble
131 K L -2.5488 Soluble
132 A L -1.9012 Soluble
133 N L -2.1129 Soluble
134 P L 0.0000 Buried
135 T L -0.6583 Soluble
136 V L 0.0000 Buried
137 T L -0.4617 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.1169 Soluble
141 P L 0.0000 Buried
142 S L -1.0133 Soluble
143 S L -1.4832 Soluble
144 E L -1.9440 Soluble
145 E L 0.0000 Buried
146 L L -2.2003 Soluble
147 Q L -2.2564 Soluble
148 A L -1.9136 Soluble
149 N L -2.7631 Soluble
150 K L -2.8382 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 -0.6405 Soluble
159 D L -1.4732 Soluble
160 F L 0.0000 Buried
161 Y L -1.3854 Soluble
162 P L -0.9694 Soluble
163 G L -0.5957 Soluble
164 A L -0.3993 Soluble
165 V L -0.2419 Soluble
166 T L -0.0274 Soluble
167 V L 0.0775 Aggregation-prone
168 A L -0.4946 Soluble
169 W L 0.0000 Buried
170 K L -1.0831 Soluble
171 A L 0.0000 Buried
172 D L -1.5989 Soluble
173 G L -1.2207 Soluble
174 S L -0.8036 Soluble
175 P L -0.9597 Soluble
176 V L -0.8254 Soluble
177 K L -1.6457 Soluble
178 A L -0.8214 Soluble
179 G L -0.6427 Soluble
180 V L -0.4565 Soluble
181 E L -0.3967 Soluble
182 T L -0.3634 Soluble
183 T L -0.7778 Soluble
184 K L -1.7087 Soluble
185 P L -0.9957 Soluble
186 S L -0.8931 Soluble
187 K L -1.1788 Soluble
188 Q L -1.3071 Soluble
189 S L -1.2083 Soluble
190 N L -1.7907 Soluble
191 N L -1.7615 Soluble
192 K L -1.7080 Soluble
193 Y L -0.9214 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 -0.6529 Soluble
201 L L 0.0000 Buried
202 T L -1.9780 Soluble
203 P L -2.6171 Soluble
204 E L -3.2515 Soluble
205 Q L -2.3915 Soluble
206 W L 0.0000 Buried
207 K L -3.1418 Soluble
208 S L -2.4068 Soluble
209 H L -2.3874 Soluble
210 R L -2.5459 Soluble
211 S L -1.5883 Soluble
212 Y L 0.0000 Buried
213 S L -1.0995 Soluble
214 C L 0.0000 Buried
215 Q L -1.1261 Soluble
216 V L 0.0000 Buried
217 T L -0.8784 Soluble
218 H L 0.0000 Buried
219 E L -2.4727 Soluble
220 G L -1.4497 Soluble
221 S L -1.3145 Soluble
222 T L -0.9676 Soluble
223 V L -1.0190 Soluble
224 E L -2.2241 Soluble
225 K L -1.8040 Soluble
226 T L -0.9981 Soluble
227 V L -0.3882 Soluble
228 A L -0.9117 Soluble
229 P L -1.1087 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 -0.7315 3.1488 CSV PDB
4.5 -0.7632 3.1177 CSV PDB
5.0 -0.7992 3.0851 CSV PDB
5.5 -0.8305 3.0521 CSV PDB
6.0 -0.8465 3.019 CSV PDB
6.5 -0.8391 2.986 CSV PDB
7.0 -0.8097 2.9535 CSV PDB
7.5 -0.7667 2.9225 CSV PDB
8.0 -0.717 2.8952 CSV PDB
8.5 -0.663 2.8755 CSV PDB
9.0 -0.6061 2.8646 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH