Domagrozumab / 5f3h

A4DAB088_5f3h_A_B | Source PDB: 5f3h | Chains: A, B | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.6155
Max Score
1.3058
Min Score
-3.7861
Total Score
-257.88
Score CDR
-0.1337
Score non-CDR
-0.6706

Calculation Parameters

Chain Sequence(s) LLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSTISSGGSYTSYPDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKQDYAMNYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPIQMTQSPSSLSASVGDRVTITCKASQDVSTAVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLNPEDFATYYCQQHYSTPWTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) A (Heavy), B (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 -3.7861
Maximum Score 1.3058
Average Score -0.6155
Total Score -257.8788

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

Index Residue Chain A4D Score Classification
4 L A 0.7933 Aggregation-prone
5 L A 1.3058 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.2105 Soluble
8 G A -0.8685 Soluble
9 G A -0.3896 Soluble
11 G A 0.0093 Aggregation-prone
12 L A 0.0221 Aggregation-prone
13 V A -0.5610 Soluble
14 Q A -1.5354 Soluble
15 P A -1.6579 Soluble
16 G A -1.3959 Soluble
17 G A -1.1140 Soluble
18 S A -1.0398 Soluble
19 L A -0.9728 Soluble
20 R A -1.7404 Soluble
21 L A 0.0000 Buried
22 S A -0.3909 Soluble
23 C A 0.0000 Buried
24 A A 0.1811 Aggregation-prone
25 A A 0.0000 Buried
26 S A -0.1935 Soluble
27 G A -0.3692 Soluble
28 F A 0.0072 Aggregation-prone
29 T A -0.2002 Soluble
30 F A 0.0000 Buried
35 S A -0.8627 Soluble
36 S A -0.2975 Soluble
37 Y A -0.3674 Soluble
38 A A -0.3834 Soluble
39 M A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7563 Soluble
45 A A -1.0833 Soluble
46 P A -0.9623 Soluble
47 G A -1.6633 Soluble
48 K A -2.3255 Soluble
49 G A -1.4177 Soluble
50 L A 0.0000 Buried
51 E A -0.9064 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 S A 0.0000 Buried
55 T A 0.0000 Buried
56 I A 0.0000 Buried
57 S A 0.1094 Aggregation-prone
58 S A -0.3004 Soluble
59 G A -0.5965 Soluble
62 G A -0.2929 Soluble
63 S A 0.1603 Aggregation-prone
64 Y A 1.0406 Aggregation-prone
65 T A 0.5256 Aggregation-prone
66 S A -0.1478 Soluble
67 Y A -0.9010 Soluble
68 P A 0.0000 Buried
69 D A -2.4969 Soluble
70 S A -1.7483 Soluble
71 V A 0.0000 Buried
72 K A -2.5895 Soluble
74 G A -1.7384 Soluble
75 R A -1.5828 Soluble
76 F A 0.0000 Buried
77 T A -0.8093 Soluble
78 I A 0.0000 Buried
79 S A -0.3260 Soluble
80 R A -1.1669 Soluble
81 D A -1.7334 Soluble
82 N A -1.7013 Soluble
83 S A -1.5977 Soluble
84 K A -2.4185 Soluble
85 N A -1.8108 Soluble
86 T A -1.0678 Soluble
87 L A 0.0000 Buried
88 Y A 0.0000 Buried
89 L A 0.0000 Buried
90 Q A -1.0489 Soluble
91 M A 0.0000 Buried
92 N A -1.3265 Soluble
93 S A -1.2471 Soluble
94 L A 0.0000 Buried
95 R A -2.3010 Soluble
96 A A -1.7168 Soluble
97 E A -2.2372 Soluble
98 D A 0.0000 Buried
99 T A -0.6386 Soluble
100 A A 0.0000 Buried
101 V A 0.3153 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 K A -0.0910 Soluble
107 Q A 0.0000 Buried
108 D A -1.0097 Soluble
109 Y A 0.6138 Aggregation-prone
114 A A 0.0000 Buried
115 M A 0.0000 Buried
116 N A 0.0000 Buried
117 Y A 0.2810 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.1523 Soluble
121 G A 0.0000 Buried
122 T A 0.0920 Aggregation-prone
123 L A 0.3357 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.9694 Soluble
128 S A -0.6976 Soluble
129 A A -0.5039 Soluble
130 S A -0.6416 Soluble
131 T A -0.6663 Soluble
132 K A -1.3351 Soluble
133 G A -1.4310 Soluble
134 P A -0.6738 Soluble
135 S A -0.4829 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1094 Soluble
139 L A 0.0000 Buried
140 A A -0.7977 Soluble
141 P A 0.0000 Buried
142 S A -0.3979 Soluble
143 G A -0.6448 Soluble
144 T A -0.4883 Soluble
145 A A 0.0000 Buried
146 A A 0.0000 Buried
147 L A 0.0000 Buried
148 G A 0.0000 Buried
149 C A 0.0000 Buried
150 L A 0.0000 Buried
151 V A 0.0000 Buried
152 K A -0.3017 Soluble
153 D A -0.5407 Soluble
154 Y A 0.0000 Buried
155 F A 0.0000 Buried
156 P A 0.0000 Buried
157 E A -0.5291 Soluble
158 P A -0.7541 Soluble
159 V A -0.7503 Soluble
160 T A -0.6014 Soluble
161 V A -0.3108 Soluble
162 S A -0.3497 Soluble
163 W A 0.0000 Buried
164 N A -0.7293 Soluble
165 S A -0.6450 Soluble
166 G A -0.5067 Soluble
167 A A -0.2456 Soluble
168 L A 0.0203 Aggregation-prone
169 T A -0.1337 Soluble
170 S A -0.1328 Soluble
171 G A -0.1164 Soluble
172 V A 0.2621 Aggregation-prone
173 H A 0.0000 Buried
174 T A 0.0877 Aggregation-prone
175 F A 0.0000 Buried
176 P A -0.2980 Soluble
177 A A 0.1766 Aggregation-prone
178 V A 0.4048 Aggregation-prone
179 L A 0.8501 Aggregation-prone
180 Q A 0.1429 Aggregation-prone
181 S A -0.1882 Soluble
182 S A -0.2207 Soluble
183 G A -0.0107 Soluble
184 L A 0.0152 Aggregation-prone
185 Y A 0.2399 Aggregation-prone
186 S A 0.0000 Buried
187 L A 0.0000 Buried
188 S A 0.0000 Buried
189 S A 0.0000 Buried
190 V A 0.0000 Buried
191 V A 0.0000 Buried
192 T A -0.1072 Soluble
193 V A 0.0000 Buried
194 P A -0.5148 Soluble
195 S A -0.5593 Soluble
196 S A -0.6413 Soluble
197 S A -0.7004 Soluble
198 L A -0.9539 Soluble
199 G A -1.1527 Soluble
200 T A -1.0314 Soluble
201 Q A -1.4609 Soluble
202 T A -1.2646 Soluble
203 Y A 0.0000 Buried
204 I A -1.2740 Soluble
205 C A 0.0000 Buried
206 N A 0.0000 Buried
207 V A 0.0000 Buried
208 N A -1.9701 Soluble
209 H A 0.0000 Buried
210 K A -2.7069 Soluble
211 P A -1.5456 Soluble
212 S A -1.8547 Soluble
213 N A -2.5296 Soluble
214 T A -2.0643 Soluble
215 K A -2.6655 Soluble
216 V A -1.4475 Soluble
217 D A -2.4952 Soluble
218 K A -1.9730 Soluble
219 K A -2.4894 Soluble
220 V A 0.0000 Buried
221 E A -2.5369 Soluble
222 P A -1.2117 Soluble
2 I B 0.0982 Aggregation-prone
3 Q B -1.1194 Soluble
4 M B 0.0000 Buried
5 T B -1.2462 Soluble
6 Q B -0.8802 Soluble
7 S B -0.5560 Soluble
8 P B -0.4776 Soluble
9 S B -0.5727 Soluble
10 S B -0.3328 Soluble
11 L B 0.0578 Aggregation-prone
12 S B -0.4478 Soluble
13 A B 0.0000 Buried
14 S B -0.3325 Soluble
15 V B 0.3913 Aggregation-prone
16 G B -0.6989 Soluble
17 D B -1.6820 Soluble
18 R B -2.3090 Soluble
19 V B 0.0000 Buried
20 T B -0.5922 Soluble
21 I B 0.0000 Buried
22 T B -0.8272 Soluble
23 C B 0.0000 Buried
24 K B -2.5142 Soluble
25 A B 0.0000 Buried
26 S B -1.5073 Soluble
27 Q B -1.8613 Soluble
28 D B -2.4488 Soluble
29 V B 0.0000 Buried
36 S B -0.9245 Soluble
37 T B -0.2065 Soluble
38 A B 0.0000 Buried
39 V B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.5669 Soluble
46 P B -1.5082 Soluble
47 G B -1.6491 Soluble
48 K B -2.6241 Soluble
49 A B -1.6483 Soluble
50 P B 0.0000 Buried
51 K B -1.6420 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.6355 Aggregation-prone
56 S B 0.6019 Aggregation-prone
57 A B 0.0000 Buried
65 S B 0.1113 Aggregation-prone
66 Y B 0.7912 Aggregation-prone
67 R B -0.4547 Soluble
68 Y B -0.0831 Soluble
69 T B -0.1900 Soluble
70 G B -0.5405 Soluble
71 V B -0.6056 Soluble
72 P B -0.5064 Soluble
74 S B -0.6772 Soluble
75 R B -0.8055 Soluble
76 F B 0.0000 Buried
77 S B -0.4197 Soluble
78 G B 0.0000 Buried
79 S B -0.5184 Soluble
80 G B -0.9669 Soluble
83 S B -1.1933 Soluble
84 G B -1.7965 Soluble
85 T B -2.2417 Soluble
86 D B -2.6774 Soluble
87 F B 0.0000 Buried
88 T B -0.8056 Soluble
89 L B 0.0000 Buried
90 T B -0.5695 Soluble
91 I B 0.0000 Buried
92 S B -1.3373 Soluble
93 S B -1.1067 Soluble
94 L B 0.0000 Buried
95 N B -0.8398 Soluble
96 P B -0.8824 Soluble
97 E B -1.8875 Soluble
98 D B 0.0000 Buried
99 F B -0.3083 Soluble
100 A B 0.0000 Buried
101 T B 0.0000 Buried
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 H B 0.0000 Buried
108 Y B 0.6760 Aggregation-prone
109 S B 0.4029 Aggregation-prone
114 T B 0.0579 Aggregation-prone
115 P B -0.2477 Soluble
116 W B 0.1906 Aggregation-prone
117 T B -0.0678 Soluble
118 F B -0.2165 Soluble
119 G B 0.0000 Buried
120 G B -1.0643 Soluble
121 G B -0.8107 Soluble
122 T B 0.0000 Buried
123 K B -0.6190 Soluble
124 V B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.1980 Soluble
127 K B -0.9227 Soluble
128 R B -0.8488 Soluble
129 T B 0.0461 Aggregation-prone
130 V B 0.8885 Aggregation-prone
131 A B 0.2326 Aggregation-prone
132 A B -0.0319 Soluble
133 P B 0.0000 Buried
134 S B 0.0452 Aggregation-prone
135 V B 0.1733 Aggregation-prone
136 F B 0.2119 Aggregation-prone
137 I B 0.1169 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4910 Soluble
140 P B 0.0000 Buried
141 S B -1.6503 Soluble
142 D B -2.9712 Soluble
143 E B -2.9886 Soluble
144 Q B 0.0000 Buried
145 L B -2.3845 Soluble
146 K B -2.8694 Soluble
147 S B -1.7545 Soluble
148 G B -1.7106 Soluble
149 T B -1.1268 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.6889 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.2335 Soluble
162 R B -2.0890 Soluble
163 E B -2.7328 Soluble
164 A B -2.0768 Soluble
165 K B -2.2156 Soluble
166 V B -1.0261 Soluble
167 Q B -0.5954 Soluble
168 W B 0.0000 Buried
169 K B -0.5811 Soluble
170 V B 0.0000 Buried
171 D B -1.9776 Soluble
172 N B -1.5593 Soluble
173 A B -0.2865 Soluble
174 L B 0.7328 Aggregation-prone
175 Q B -0.0766 Soluble
176 S B -0.3676 Soluble
177 G B -0.8294 Soluble
178 N B -0.7150 Soluble
179 S B -0.9561 Soluble
180 Q B -1.1155 Soluble
181 E B -1.3080 Soluble
182 S B 0.0000 Buried
183 V B -0.3041 Soluble
184 T B -0.9275 Soluble
185 E B -2.1082 Soluble
186 Q B -1.6976 Soluble
187 D B -1.9232 Soluble
188 S B -1.7228 Soluble
189 K B -2.2471 Soluble
190 D B -1.6822 Soluble
191 S B -1.6029 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.4757 Soluble
199 L B 0.0000 Buried
200 T B -0.4577 Soluble
201 L B -0.7761 Soluble
202 S B -1.4732 Soluble
203 K B -2.5587 Soluble
204 A B -2.1625 Soluble
205 D B -2.7838 Soluble
206 Y B 0.0000 Buried
207 E B -3.7861 Soluble
208 K B -3.7465 Soluble
209 H B -2.8271 Soluble
210 K B -2.9893 Soluble
211 V B -1.3516 Soluble
212 Y B 0.0000 Buried
213 A B -0.7526 Soluble
214 C B 0.0000 Buried
215 E B -0.7546 Soluble
216 V B 0.0000 Buried
217 T B -1.1953 Soluble
218 H B 0.0000 Buried
219 Q B -1.4038 Soluble
220 G B -0.3724 Soluble
221 L B -0.2559 Soluble
222 S B -0.4929 Soluble
223 S B -0.4385 Soluble
224 P B -0.5075 Soluble
225 V B 0.0404 Aggregation-prone
226 T B -0.4297 Soluble
227 K B -0.7097 Soluble
228 S B -0.4443 Soluble
229 F B -0.7775 Soluble
230 N B -1.6845 Soluble
231 R B -2.3161 Soluble
232 G B -2.0425 Soluble
233 E B -2.3805 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.6104 1.8627 CSV PDB
4.5 -0.6535 1.8041 CSV PDB
5.0 -0.7021 1.7206 CSV PDB
5.5 -0.7474 1.6263 CSV PDB
6.0 -0.7791 1.573 CSV PDB
6.5 -0.7889 1.573 CSV PDB
7.0 -0.7764 1.573 CSV PDB
7.5 -0.749 1.573 CSV PDB
8.0 -0.7131 1.6008 CSV PDB
8.5 -0.6703 1.7445 CSV PDB
9.0 -0.6202 1.9049 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH