Daratumumab / 7duo

A4DAB081_7duo_H_L | Source PDB: 7duo | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6697
Max Score
2.2667
Min Score
-3.7513
Total Score
-283.3
Score CDR
-0.1706
Score non-CDR
-0.7351

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVSAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7513
Maximum Score 2.2667
Average Score -0.6697
Total Score -283.3028

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

Index Residue Chain A4D Score Classification
1 E H -1.8185 Soluble
2 V H -0.6117 Soluble
3 Q H -0.4038 Soluble
4 L H 0.0000 Buried
5 L H 1.1500 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4361 Soluble
8 G H -1.0766 Soluble
9 G H -0.8003 Soluble
11 G H -0.5664 Soluble
12 L H -0.0404 Soluble
13 V H 0.0000 Buried
14 Q H -1.6637 Soluble
15 P H -1.8325 Soluble
16 G H -1.5907 Soluble
17 G H 0.0000 Buried
18 S H -1.4902 Soluble
19 L H -1.1377 Soluble
20 R H -2.1937 Soluble
21 L H 0.0000 Buried
22 S H -0.4032 Soluble
23 C H 0.0000 Buried
24 A H -0.0045 Soluble
25 V H 0.0000 Buried
26 S H -0.4670 Soluble
27 G H -0.8767 Soluble
28 F H -0.4174 Soluble
29 T H -0.5357 Soluble
30 F H 0.0000 Buried
35 N H -1.6424 Soluble
36 S H -0.1066 Soluble
37 F H 0.5027 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 -0.8799 Soluble
45 A H -1.1834 Soluble
46 P H -0.9610 Soluble
47 G H -1.4680 Soluble
48 K H -2.4616 Soluble
49 G H -1.7371 Soluble
50 L H 0.0000 Buried
51 E H -1.4488 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 S H -0.0895 Soluble
58 G H -0.4486 Soluble
59 S H -0.9017 Soluble
62 G H -0.9079 Soluble
63 G H -0.7180 Soluble
64 G H -0.2210 Soluble
65 T H 0.1800 Aggregation-prone
66 Y H 0.2891 Aggregation-prone
67 Y H -0.4256 Soluble
68 A H 0.0000 Buried
69 D H -2.3503 Soluble
70 S H -1.7756 Soluble
71 V H 0.0000 Buried
72 K H -2.4641 Soluble
74 G H -1.8002 Soluble
75 R H -1.8163 Soluble
76 F H 0.0000 Buried
77 T H -0.8869 Soluble
78 I H 0.0000 Buried
79 S H -0.4323 Soluble
80 R H -1.1177 Soluble
81 D H -1.5953 Soluble
82 N H -1.9222 Soluble
83 S H -1.6655 Soluble
84 K H -2.2955 Soluble
85 N H -1.8143 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.5616 Soluble
89 L H 0.0000 Buried
90 Q H -1.4909 Soluble
91 M H 0.0000 Buried
92 N H -2.1019 Soluble
93 S H -1.5560 Soluble
94 L H 0.0000 Buried
95 R H -2.6159 Soluble
96 A H -1.8424 Soluble
97 E H -2.3160 Soluble
98 D H 0.0000 Buried
99 T H -0.7462 Soluble
100 A H 0.0000 Buried
101 V H 0.2578 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 0.3269 Aggregation-prone
109 I H 1.1911 Aggregation-prone
110 L H 2.2667 Aggregation-prone
111 W H 2.1991 Aggregation-prone
111A F H 1.3797 Aggregation-prone
112A G H 0.4460 Aggregation-prone
112 E H -0.2327 Soluble
113 P H 0.0000 Buried
114 V H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3626 Soluble
117 Y H 0.1456 Aggregation-prone
118 W H -0.0664 Soluble
119 G H 0.0000 Buried
120 Q H -0.8545 Soluble
121 G H -0.3748 Soluble
122 T H 0.0000 Buried
123 L H 0.1501 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4789 Soluble
126 V H 0.0000 Buried
127 S H -0.7962 Soluble
128 S H -0.7120 Soluble
129 A H -0.4731 Soluble
130 S H -0.5921 Soluble
131 T H -0.6196 Soluble
132 K H -1.0843 Soluble
133 G H -1.3404 Soluble
134 P H -0.6008 Soluble
135 S H -0.2949 Soluble
136 V H 0.0000 Buried
137 F H -0.5355 Soluble
138 T H -0.2837 Soluble
139 A H -0.1397 Soluble
140 A H 0.0711 Aggregation-prone
141 L H 0.0000 Buried
142 G H -0.2748 Soluble
143 C H 0.0000 Buried
144 L H 0.0000 Buried
145 V H 0.0000 Buried
146 K H 0.0000 Buried
147 D H -0.3248 Soluble
148 Y H 0.0000 Buried
149 F H 0.0000 Buried
150 P H 0.0000 Buried
151 E H -0.5946 Soluble
152 P H -0.6694 Soluble
153 V H -0.4393 Soluble
154 T H -0.5684 Soluble
155 V H -0.2999 Soluble
156 S H -0.2862 Soluble
157 W H 0.0000 Buried
158 N H -0.7187 Soluble
159 S H -0.5488 Soluble
160 G H -0.4298 Soluble
161 A H -0.1863 Soluble
162 L H 0.0525 Aggregation-prone
163 T H -0.1197 Soluble
164 S H -0.1893 Soluble
165 G H -0.2282 Soluble
166 V H 0.1276 Aggregation-prone
167 H H -0.2254 Soluble
168 T H 0.0430 Aggregation-prone
169 F H 0.0000 Buried
170 P H -0.1792 Soluble
171 A H 0.2629 Aggregation-prone
172 V H 0.4472 Aggregation-prone
173 L H 1.3738 Aggregation-prone
174 Q H 0.3228 Aggregation-prone
175 S H -0.0293 Soluble
176 S H -0.1980 Soluble
177 G H 0.0629 Aggregation-prone
178 L H 0.1900 Aggregation-prone
179 Y H 0.5541 Aggregation-prone
180 S H 0.0000 Buried
181 L H 0.0000 Buried
182 S H 0.0000 Buried
183 S H 0.0000 Buried
184 V H 0.0000 Buried
185 V H 0.0000 Buried
186 T H -0.1550 Soluble
187 V H 0.0000 Buried
188 P H -0.4050 Soluble
189 S H -0.4469 Soluble
190 S H -0.5576 Soluble
191 S H -0.6248 Soluble
192 L H -0.7740 Soluble
193 G H -1.0154 Soluble
194 T H -0.8421 Soluble
195 Q H -1.4758 Soluble
196 T H -1.2409 Soluble
197 Y H 0.0000 Buried
198 I H -1.2232 Soluble
199 C H 0.0000 Buried
200 N H -1.2658 Soluble
201 V H 0.0000 Buried
202 N H -1.9399 Soluble
203 H H 0.0000 Buried
204 K H -2.8242 Soluble
205 P H -1.6313 Soluble
206 S H -1.8495 Soluble
207 N H -2.5099 Soluble
208 T H -2.1885 Soluble
209 K H -2.5684 Soluble
210 V H -1.4912 Soluble
211 D H -1.8493 Soluble
212 K H -1.7100 Soluble
213 R H -2.4503 Soluble
214 V H -1.5845 Soluble
215 E H -2.4290 Soluble
216 P H -1.2572 Soluble
1 E L -1.5707 Soluble
2 I L -0.2918 Soluble
3 V L 0.8269 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6025 Soluble
6 Q L 0.0000 Buried
7 S L -0.7242 Soluble
8 P L -0.2645 Soluble
9 A L -0.4145 Soluble
10 T L -0.3583 Soluble
11 L L -0.1855 Soluble
12 S L -0.4318 Soluble
13 L L -1.0434 Soluble
14 S L -1.5232 Soluble
15 P L -2.0171 Soluble
16 G L -1.9863 Soluble
17 E L -2.5990 Soluble
18 R L -2.8539 Soluble
19 A L 0.0000 Buried
20 T L -0.6472 Soluble
21 L L 0.0000 Buried
22 S L -0.7466 Soluble
23 C L 0.0000 Buried
24 R L -2.0532 Soluble
25 A L -1.0932 Soluble
26 S L -0.9008 Soluble
27 Q L -1.6230 Soluble
28 S L -1.2443 Soluble
29 V L 0.0000 Buried
36 S L -0.6337 Soluble
37 S L -0.3576 Soluble
38 Y L 0.0809 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 -1.4232 Soluble
46 P L -1.1308 Soluble
47 G L -1.4314 Soluble
48 Q L -1.9884 Soluble
49 A L -1.2647 Soluble
50 P L 0.0000 Buried
51 R L -1.6355 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.6778 Soluble
56 D L -0.7062 Soluble
57 A L 0.0000 Buried
65 S L -1.2308 Soluble
66 N L -1.9052 Soluble
67 R L -1.6305 Soluble
68 A L -1.0598 Soluble
69 T L -0.6365 Soluble
70 G L -0.5451 Soluble
71 I L -0.5394 Soluble
72 P L -0.3956 Soluble
74 A L -0.4093 Soluble
75 R L -0.7590 Soluble
76 F L 0.0000 Buried
77 S L -0.7272 Soluble
78 G L 0.0000 Buried
79 S L -0.8384 Soluble
80 G L -1.0987 Soluble
83 S L -1.0388 Soluble
84 G L -1.1345 Soluble
85 T L -1.6591 Soluble
86 D L -1.9978 Soluble
87 F L 0.0000 Buried
88 T L -0.6817 Soluble
89 L L 0.0000 Buried
90 T L -0.6546 Soluble
91 I L 0.0000 Buried
92 S L -1.6327 Soluble
93 S L -1.9145 Soluble
94 L L 0.0000 Buried
95 E L -2.7778 Soluble
96 P L -2.4693 Soluble
97 E L -2.4274 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.5566 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 -0.7234 Soluble
109 N L -1.4641 Soluble
114 W L -0.7132 Soluble
115 P L -0.9227 Soluble
116 P L 0.0000 Buried
117 T L 0.0000 Buried
118 F L -0.0294 Soluble
119 G L 0.0000 Buried
120 Q L -1.5408 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1220 Soluble
124 V L 0.0000 Buried
125 E L -0.9779 Soluble
126 I L 0.0000 Buried
127 K L -1.3049 Soluble
128 R L -0.9836 Soluble
129 T L 0.0022 Aggregation-prone
130 V L 0.4783 Aggregation-prone
131 A L 0.0073 Aggregation-prone
132 A L -0.1077 Soluble
133 P L 0.0000 Buried
134 S L -0.1368 Soluble
135 V L 0.0000 Buried
136 F L 0.1963 Aggregation-prone
137 I L 0.2972 Aggregation-prone
138 F L 0.3589 Aggregation-prone
139 P L -0.3092 Soluble
140 P L -0.6267 Soluble
141 S L -1.3632 Soluble
142 D L -2.6938 Soluble
143 E L -2.4553 Soluble
144 Q L 0.0000 Buried
145 L L -2.0029 Soluble
146 K L -2.7234 Soluble
147 S L -1.6708 Soluble
148 G L -1.1304 Soluble
149 T L -0.9884 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 -0.9813 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5440 Soluble
162 R L -2.6631 Soluble
163 E L -3.1401 Soluble
164 A L -2.2854 Soluble
165 K L -2.6729 Soluble
166 V L -1.3320 Soluble
167 Q L -0.9030 Soluble
168 W L 0.0000 Buried
169 K L -0.6495 Soluble
170 V L 0.0000 Buried
171 D L -1.6237 Soluble
172 N L -1.3183 Soluble
173 A L -0.4712 Soluble
174 L L 0.1679 Aggregation-prone
175 Q L -0.4205 Soluble
176 S L -0.5673 Soluble
177 G L -0.9202 Soluble
178 N L -0.8124 Soluble
179 S L -1.2677 Soluble
180 Q L -1.6364 Soluble
181 E L -2.2206 Soluble
182 S L -0.8961 Soluble
183 V L -0.3359 Soluble
184 T L -0.6457 Soluble
185 E L -1.4501 Soluble
186 Q L 0.0000 Buried
187 D L -2.0713 Soluble
188 S L -2.3696 Soluble
189 K L -2.9479 Soluble
190 D L -2.5548 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 -0.6646 Soluble
199 L L 0.0000 Buried
200 T L -0.3248 Soluble
201 L L -0.8014 Soluble
202 S L -1.1913 Soluble
203 K L -2.1121 Soluble
204 A L -2.0428 Soluble
205 D L -3.0784 Soluble
206 Y L 0.0000 Buried
207 E L -3.5758 Soluble
208 K L -3.7513 Soluble
209 H L -3.0630 Soluble
210 K L -3.0639 Soluble
211 V L -1.4543 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7825 Soluble
216 V L 0.0000 Buried
217 T L -1.2302 Soluble
218 H L 0.0000 Buried
219 Q L -1.7772 Soluble
220 G L -0.4416 Soluble
221 L L -0.2190 Soluble
222 S L -0.4555 Soluble
223 S L -0.4015 Soluble
224 P L -0.4845 Soluble
225 V L 0.1095 Aggregation-prone
226 T L -0.4344 Soluble
227 K L -0.6248 Soluble
228 S L -0.4566 Soluble
229 F L -0.7688 Soluble
230 N L -1.7918 Soluble
231 R L -2.5797 Soluble
232 G L -2.1386 Soluble
233 E L -2.4773 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 -0.6336 4.9303 CSV PDB
4.5 -0.6726 4.9247 CSV PDB
5.0 -0.7209 4.9178 CSV PDB
5.5 -0.7696 4.9117 CSV PDB
6.0 -0.8079 4.9095 CSV PDB
6.5 -0.8265 4.9136 CSV PDB
7.0 -0.823 4.9236 CSV PDB
7.5 -0.8034 4.9372 CSV PDB
8.0 -0.7749 4.9523 CSV PDB
8.5 -0.7405 4.9679 CSV PDB
9.0 -0.7006 4.9835 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH