Daratumumab / 7dun

A4DAB081_7dun_H_L | Source PDB: 7dun | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6903
Max Score
1.8374
Min Score
-3.7171
Total Score
-296.12
Score CDR
-0.1783
Score non-CDR
-0.7563

Calculation Parameters

Chain Sequence(s) EVQLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7171
Maximum Score 1.8374
Average Score -0.6903
Total Score -296.1219

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

Index Residue Chain A4D Score Classification
1 E H -2.0939 Soluble
2 V H -1.1572 Soluble
3 Q H -1.5631 Soluble
4 L H -0.6169 Soluble
6 E H -0.7869 Soluble
7 S H -0.8864 Soluble
8 G H -0.9345 Soluble
9 G H -0.4844 Soluble
11 G H -0.3272 Soluble
12 L H -0.1202 Soluble
13 V H 0.0000 Buried
14 Q H -1.7631 Soluble
15 P H -1.9872 Soluble
16 G H -1.6415 Soluble
17 G H -1.3019 Soluble
18 S H -1.2455 Soluble
19 L H -1.2569 Soluble
20 R H -2.1110 Soluble
21 L H 0.0000 Buried
22 S H -0.6629 Soluble
23 C H 0.0000 Buried
24 A H -0.7178 Soluble
25 V H 0.0000 Buried
26 S H -0.9686 Soluble
27 G H -1.0955 Soluble
28 F H -0.5607 Soluble
29 T H -0.4730 Soluble
30 F H 0.0000 Buried
35 N H -1.6264 Soluble
36 S H -0.1773 Soluble
37 F H 0.3771 Aggregation-prone
38 A H 0.0000 Buried
39 M H 0.0000 Buried
40 S 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 -0.7868 Soluble
45 A H -1.1669 Soluble
46 P H -0.9621 Soluble
47 G H -1.4721 Soluble
48 K H -2.3970 Soluble
49 G H -1.6262 Soluble
50 L H 0.0000 Buried
51 E H -1.0214 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0597 Aggregation-prone
58 G H -0.3791 Soluble
59 S H -0.7970 Soluble
62 G H -0.8478 Soluble
63 G H -0.6539 Soluble
64 G H -0.2201 Soluble
65 T H 0.2109 Aggregation-prone
66 Y H 0.4022 Aggregation-prone
67 Y H -0.4430 Soluble
68 A H 0.0000 Buried
69 D H -2.3647 Soluble
70 S H -1.7745 Soluble
71 V H 0.0000 Buried
72 K H -2.4829 Soluble
74 G H -1.7620 Soluble
75 R H -1.3660 Soluble
76 F H 0.0000 Buried
77 T H -0.7355 Soluble
78 I H 0.0000 Buried
79 S H -0.4261 Soluble
80 R H -1.1244 Soluble
81 D H -1.6383 Soluble
82 N H -1.9066 Soluble
83 S H -1.6807 Soluble
84 K H -2.3359 Soluble
85 N H -1.9045 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.4788 Soluble
89 L H 0.0000 Buried
90 Q H -1.2634 Soluble
91 M H 0.0000 Buried
92 N H -1.5585 Soluble
93 S H -1.4678 Soluble
94 L H 0.0000 Buried
95 R H -2.9064 Soluble
96 A H -1.9967 Soluble
97 E H -2.4369 Soluble
98 D H 0.0000 Buried
99 T H -0.8411 Soluble
100 A H 0.0000 Buried
101 V H 0.2241 Aggregation-prone
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 K H 0.0000 Buried
107 D H 0.0000 Buried
108 K H 0.2164 Aggregation-prone
109 I H 0.9237 Aggregation-prone
110 L H 1.7457 Aggregation-prone
111 W H 1.8374 Aggregation-prone
111A F H 1.1352 Aggregation-prone
112A G H 0.4098 Aggregation-prone
112 E H -0.0661 Soluble
113 P H 0.0000 Buried
114 V H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.2088 Soluble
117 Y H 0.0813 Aggregation-prone
118 W H -0.3747 Soluble
119 G H 0.0000 Buried
120 Q H -1.6149 Soluble
121 G H -0.8135 Soluble
122 T H -0.2862 Soluble
123 L H 0.1447 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5736 Soluble
126 V H 0.0000 Buried
127 S H -0.9053 Soluble
128 S H -0.7365 Soluble
129 A H -0.4629 Soluble
130 S H -0.5635 Soluble
131 T H -0.7138 Soluble
132 K H -1.1021 Soluble
133 G H -1.2936 Soluble
134 P H -0.5872 Soluble
135 S H -0.4398 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -0.9432 Soluble
141 P H -0.8153 Soluble
142 S H -1.1713 Soluble
143 S H -0.7966 Soluble
144 S H -0.6003 Soluble
145 G H -0.8597 Soluble
146 G H -0.8962 Soluble
147 T H -0.5855 Soluble
148 A H -0.3453 Soluble
149 A H 0.0000 Buried
150 L H 0.0000 Buried
151 G H 0.0000 Buried
152 C H 0.0000 Buried
153 L H 0.0000 Buried
154 V H 0.0000 Buried
155 K H 0.0000 Buried
156 D H -0.3961 Soluble
157 Y H 0.0000 Buried
158 F H 0.0000 Buried
159 P H 0.0000 Buried
160 E H -0.7703 Soluble
161 P H -0.9274 Soluble
162 V H -0.8147 Soluble
163 T H -0.6449 Soluble
164 V H -0.3608 Soluble
165 S H -0.3474 Soluble
166 W H 0.0000 Buried
167 N H -0.6321 Soluble
168 S H -0.5981 Soluble
169 G H -0.4802 Soluble
170 A H -0.2247 Soluble
171 L H 0.0257 Aggregation-prone
172 T H -0.1603 Soluble
173 S H -0.1793 Soluble
174 G H -0.2252 Soluble
175 V H 0.1792 Aggregation-prone
176 H H -0.3139 Soluble
177 T H -0.1561 Soluble
178 F H 0.0000 Buried
179 P H -0.2817 Soluble
180 A H 0.2226 Aggregation-prone
181 V H 0.5419 Aggregation-prone
182 L H 1.1560 Aggregation-prone
183 Q H 0.2885 Aggregation-prone
184 S H -0.0783 Soluble
185 S H -0.2454 Soluble
186 G H -0.0286 Soluble
187 L H 0.0930 Aggregation-prone
188 Y H 0.3757 Aggregation-prone
189 S H 0.0000 Buried
190 L H 0.0000 Buried
191 S H 0.0000 Buried
192 S H 0.0000 Buried
193 V H 0.0000 Buried
194 V H 0.0000 Buried
195 T H -0.1243 Soluble
196 V H 0.0000 Buried
197 P H -0.6332 Soluble
198 S H -0.5720 Soluble
199 S H -0.5735 Soluble
200 S H -0.5344 Soluble
201 L H -0.6440 Soluble
202 G H -0.8698 Soluble
203 T H -0.6775 Soluble
204 Q H -1.1431 Soluble
205 T H -1.0635 Soluble
206 Y H 0.0000 Buried
207 I H -1.2273 Soluble
208 C H 0.0000 Buried
209 N H 0.0000 Buried
210 V H 0.0000 Buried
211 N H -2.0204 Soluble
212 H H 0.0000 Buried
213 K H -2.8147 Soluble
214 P H -1.5850 Soluble
215 S H -1.8191 Soluble
216 N H -2.5562 Soluble
217 T H -2.0944 Soluble
218 K H -2.7008 Soluble
219 V H -1.7202 Soluble
220 D H -2.4778 Soluble
221 K H -2.0954 Soluble
222 R H -2.6043 Soluble
223 V H 0.0000 Buried
224 E H -2.8633 Soluble
225 P H -2.0164 Soluble
226 K H -2.5910 Soluble
1 E L -1.7130 Soluble
2 I L 0.0000 Buried
3 V L 0.6572 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5778 Soluble
6 Q L 0.0000 Buried
7 S L -0.7811 Soluble
8 P L -0.3353 Soluble
9 A L -0.4931 Soluble
10 T L -0.4272 Soluble
11 L L -0.2326 Soluble
12 S L -0.4388 Soluble
13 L L -1.0059 Soluble
14 S L -1.5299 Soluble
15 P L -1.7856 Soluble
16 G L -1.7513 Soluble
17 E L -2.4154 Soluble
18 R L -2.5403 Soluble
19 A L 0.0000 Buried
20 T L -0.6547 Soluble
21 L L 0.0000 Buried
22 S L -0.6677 Soluble
23 C L 0.0000 Buried
24 R L -1.9474 Soluble
25 A L -1.0196 Soluble
26 S L -0.9299 Soluble
27 Q L -1.6304 Soluble
28 S L -1.2697 Soluble
29 V L 0.0000 Buried
36 S L -0.5039 Soluble
37 S L -0.2382 Soluble
38 Y L 0.1330 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
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 K L -1.4062 Soluble
46 P L -1.2173 Soluble
47 G L -1.4934 Soluble
48 Q L -1.9865 Soluble
49 A L -1.2166 Soluble
50 P L 0.0000 Buried
51 R L -1.1478 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.4736 Soluble
56 D L -0.4978 Soluble
57 A L 0.0000 Buried
65 S L -1.0037 Soluble
66 N L -1.4251 Soluble
67 R L -1.9777 Soluble
68 A L -1.2528 Soluble
69 T L -0.7907 Soluble
70 G L -0.7735 Soluble
71 I L 0.0000 Buried
72 P L -0.5780 Soluble
74 A L -0.5362 Soluble
75 R L -0.9808 Soluble
76 F L 0.0000 Buried
77 S L -0.8366 Soluble
78 G L -0.7818 Soluble
79 S L -0.6833 Soluble
80 G L -0.8852 Soluble
83 S L -0.7846 Soluble
84 G L -0.8952 Soluble
85 T L -1.2990 Soluble
87 F L 0.0000 Buried
88 T L -0.5778 Soluble
89 L L 0.0000 Buried
90 T L -0.6307 Soluble
91 I L 0.0000 Buried
92 S L -1.4191 Soluble
93 S L -1.7566 Soluble
94 L L 0.0000 Buried
95 E L -2.0469 Soluble
96 P L -2.2168 Soluble
97 E L -1.9979 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.5262 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 R L 0.0000 Buried
108 S L -0.6187 Soluble
109 N L -1.2826 Soluble
114 W L -0.6419 Soluble
115 P L -0.8287 Soluble
116 P L 0.0000 Buried
117 T L -0.2449 Soluble
118 F L 0.0264 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.4680 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1905 Soluble
124 V L 0.0000 Buried
125 E L -0.8741 Soluble
126 I L 0.0000 Buried
127 K L -1.4145 Soluble
128 R L -1.1142 Soluble
129 T L -0.0608 Soluble
130 V L 0.4925 Aggregation-prone
131 A L 0.0112 Aggregation-prone
132 A L -0.1204 Soluble
133 P L 0.0000 Buried
134 S L -0.1794 Soluble
135 V L 0.0000 Buried
136 F L -0.1018 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6904 Soluble
140 P L -0.8698 Soluble
141 S L 0.0000 Buried
142 D L -3.2364 Soluble
143 E L -3.2200 Soluble
144 Q L 0.0000 Buried
145 L L -2.3662 Soluble
146 K L -2.8748 Soluble
147 S L -1.7826 Soluble
148 G L -1.1520 Soluble
149 T L -0.8135 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -1.0553 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4640 Soluble
162 R L -2.4075 Soluble
163 E L -2.9003 Soluble
164 A L -2.0722 Soluble
165 K L -2.1884 Soluble
166 V L -1.0548 Soluble
167 Q L -0.7277 Soluble
168 W L 0.0000 Buried
169 K L -0.5734 Soluble
170 V L 0.0000 Buried
171 D L -1.9988 Soluble
172 N L -1.5074 Soluble
173 A L -0.2471 Soluble
174 L L 0.6985 Aggregation-prone
175 Q L -0.3310 Soluble
176 S L -0.6818 Soluble
177 G L -1.2819 Soluble
178 N L -1.5983 Soluble
179 S L -1.4784 Soluble
180 Q L -1.4693 Soluble
181 E L -1.6644 Soluble
182 S L -0.8017 Soluble
183 V L -0.4885 Soluble
184 T L -1.0083 Soluble
185 E L -2.1380 Soluble
186 Q L 0.0000 Buried
187 D L -2.1567 Soluble
188 S L -2.2488 Soluble
189 K L -2.8233 Soluble
190 D L -2.5016 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7597 Soluble
199 L L 0.0000 Buried
200 T L -0.6461 Soluble
201 L L -0.8252 Soluble
202 S L -1.2294 Soluble
203 K L -1.9971 Soluble
204 A L -1.9416 Soluble
205 D L -2.6474 Soluble
206 Y L 0.0000 Buried
207 E L -3.6153 Soluble
208 K L -3.7171 Soluble
209 H L -3.1713 Soluble
210 K L -3.3696 Soluble
211 V L -1.7903 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9928 Soluble
216 V L 0.0000 Buried
217 T L -1.1415 Soluble
218 H L 0.0000 Buried
219 Q L -1.6279 Soluble
220 G L -0.3752 Soluble
221 L L -0.1885 Soluble
222 S L -0.4310 Soluble
223 S L -0.3902 Soluble
224 P L -0.4627 Soluble
225 V L 0.0296 Aggregation-prone
226 T L -0.6159 Soluble
227 K L -1.0227 Soluble
228 S L -0.9999 Soluble
229 F L 0.0000 Buried
230 N L -2.3024 Soluble
231 R L -2.5530 Soluble
232 G L -1.5799 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.6967 4.4015 CSV PDB
4.5 -0.7363 4.3963 CSV PDB
5.0 -0.7825 4.3894 CSV PDB
5.5 -0.8263 4.3829 CSV PDB
6.0 -0.8572 4.3797 CSV PDB
6.5 -0.8671 4.3818 CSV PDB
7.0 -0.8559 4.3892 CSV PDB
7.5 -0.8307 4.3999 CSV PDB
8.0 -0.7978 4.4122 CSV PDB
8.5 -0.7594 4.425 CSV PDB
9.0 -0.7162 4.4378 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH