Domagrozumab / 5f3h

A4DAB088_5f3h_G_H | Source PDB: 5f3h | Chains: G, H | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.6282
Max Score
1.1919
Min Score
-3.8449
Total Score
-263.24
Score CDR
-0.1334
Score non-CDR
-0.6848

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSTISSGGSYTSYPDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKQDYAMNYWGQGTLVTVSSASTKGPSVFPLAPSAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCKASQDVSTAVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLNPEDFATYYCQQHYSTPWTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) G (Heavy), H (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 -3.8449
Maximum Score 1.1919
Average Score -0.6282
Total Score -263.235

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

Index Residue Chain A4D Score Classification
1 E G -1.7049 Soluble
2 V G -0.5564 Soluble
3 Q G -0.5809 Soluble
4 L G 0.0000 Buried
5 L G 0.8817 Aggregation-prone
6 E G 0.1496 Aggregation-prone
7 S G -0.3269 Soluble
8 G G -0.7114 Soluble
9 G G -0.6124 Soluble
11 G G 0.0372 Aggregation-prone
12 L G 0.0200 Aggregation-prone
13 V G -0.5831 Soluble
14 Q G -1.5758 Soluble
15 P G -1.7329 Soluble
16 G G -1.4330 Soluble
17 G G -1.1449 Soluble
18 S G -1.0942 Soluble
19 L G -1.1171 Soluble
20 R G -2.0543 Soluble
21 L G 0.0000 Buried
22 S G -0.4572 Soluble
23 C G 0.0000 Buried
24 A G 0.0349 Aggregation-prone
25 A G 0.0000 Buried
26 S G -0.1774 Soluble
27 G G -0.3580 Soluble
28 F G 1.1904 Aggregation-prone
29 T G 0.5723 Aggregation-prone
30 F G 0.0000 Buried
35 S G -0.7512 Soluble
36 S G -0.1685 Soluble
37 Y G -0.1446 Soluble
38 A G -0.4001 Soluble
39 M G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G 0.0000 Buried
45 A G -1.0237 Soluble
46 P G -0.9495 Soluble
47 G G -1.4360 Soluble
48 K G -2.2014 Soluble
49 G G -1.3851 Soluble
50 L G 0.0000 Buried
51 E G -0.8721 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 S G 0.0000 Buried
55 T G 0.0000 Buried
56 I G 0.0000 Buried
57 S G 0.0883 Aggregation-prone
58 S G -0.3507 Soluble
59 G G -0.6686 Soluble
62 G G -0.3702 Soluble
63 S G 0.1612 Aggregation-prone
64 Y G 1.0413 Aggregation-prone
65 T G 0.5301 Aggregation-prone
66 S G -0.1393 Soluble
67 Y G -0.9001 Soluble
68 P G 0.0000 Buried
69 D G -2.4862 Soluble
70 S G -1.7529 Soluble
71 V G 0.0000 Buried
72 K G -2.5414 Soluble
74 G G -1.6522 Soluble
75 R G 0.0000 Buried
76 F G 0.0000 Buried
77 T G -0.7854 Soluble
78 I G 0.0000 Buried
79 S G -0.3222 Soluble
80 R G -1.2153 Soluble
81 D G -1.9644 Soluble
82 N G -1.9527 Soluble
83 S G -1.6803 Soluble
84 K G -2.4572 Soluble
85 N G -1.5450 Soluble
86 T G 0.0000 Buried
87 L G 0.0000 Buried
88 Y G -0.6160 Soluble
89 L G 0.0000 Buried
90 Q G -1.1303 Soluble
91 M G 0.0000 Buried
92 N G -1.3046 Soluble
93 S G -1.1932 Soluble
94 L G 0.0000 Buried
95 R G -2.2613 Soluble
96 A G -1.7096 Soluble
97 E G -2.2328 Soluble
98 D G 0.0000 Buried
99 T G -0.5699 Soluble
100 A G 0.0000 Buried
101 V G 0.2073 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 K G 0.0000 Buried
107 Q G 0.0000 Buried
108 D G -1.0832 Soluble
109 Y G 0.6951 Aggregation-prone
114 A G 0.0000 Buried
115 M G 0.0000 Buried
116 N G 0.0000 Buried
117 Y G 0.0113 Aggregation-prone
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.4013 Soluble
121 G G -0.5193 Soluble
122 T G 0.0000 Buried
123 L G 0.5701 Aggregation-prone
124 V G 0.0000 Buried
125 T G 0.0000 Buried
126 V G 0.0000 Buried
127 S G -0.9979 Soluble
128 S G -0.7281 Soluble
129 A G -0.5206 Soluble
130 S G -0.6571 Soluble
131 T G -0.6824 Soluble
132 K G -1.3736 Soluble
133 G G -1.4861 Soluble
134 P G 0.0000 Buried
135 S G -0.2644 Soluble
136 V G 0.0000 Buried
137 F G 0.0000 Buried
138 P G -1.0419 Soluble
139 L G 0.0000 Buried
140 A G -0.7933 Soluble
141 P G 0.0000 Buried
142 S G -0.3953 Soluble
143 A G -0.1002 Soluble
144 A G 0.0000 Buried
145 L G 0.0000 Buried
146 G G 0.0000 Buried
147 C G 0.0000 Buried
148 L G 0.0000 Buried
149 V G 0.0000 Buried
150 K G 0.0000 Buried
151 D G -0.5236 Soluble
152 Y G 0.0000 Buried
153 F G 0.0000 Buried
154 P G 0.0000 Buried
155 E G -0.5860 Soluble
156 P G -0.8260 Soluble
157 V G -0.9459 Soluble
158 T G -0.8227 Soluble
159 V G -0.4799 Soluble
160 S G -0.4946 Soluble
161 W G 0.0000 Buried
162 N G -0.7665 Soluble
163 S G -0.6961 Soluble
164 G G -0.5403 Soluble
165 A G -0.2593 Soluble
166 L G -0.0040 Soluble
167 T G -0.1610 Soluble
168 S G -0.1565 Soluble
169 G G -0.1563 Soluble
170 V G 0.2070 Aggregation-prone
171 H G -0.2601 Soluble
172 T G 0.0379 Aggregation-prone
173 F G 0.0000 Buried
174 P G -0.2571 Soluble
175 A G 0.1777 Aggregation-prone
176 V G 0.4082 Aggregation-prone
177 L G 0.8052 Aggregation-prone
178 Q G 0.0816 Aggregation-prone
179 S G -0.2150 Soluble
180 S G -0.2574 Soluble
181 G G -0.0698 Soluble
182 L G -0.0249 Soluble
183 Y G 0.2068 Aggregation-prone
184 S G 0.0000 Buried
185 L G 0.0000 Buried
186 S G 0.0000 Buried
187 S G 0.0000 Buried
188 V G 0.0000 Buried
189 V G 0.0000 Buried
190 T G -0.1067 Soluble
191 V G 0.0000 Buried
192 P G -0.3843 Soluble
193 S G -0.4579 Soluble
194 S G -0.5606 Soluble
195 S G -0.6401 Soluble
196 L G -0.9147 Soluble
197 G G -1.1579 Soluble
198 T G -0.7597 Soluble
199 Q G -1.3123 Soluble
200 T G -1.2060 Soluble
201 Y G 0.0000 Buried
202 I G -1.2424 Soluble
203 C G 0.0000 Buried
204 N G -1.5689 Soluble
205 V G 0.0000 Buried
206 N G -2.5201 Soluble
207 H G 0.0000 Buried
208 K G -2.8565 Soluble
209 P G -1.6362 Soluble
210 S G -1.9413 Soluble
211 N G -2.6270 Soluble
212 T G -2.1898 Soluble
213 K G -2.8852 Soluble
214 V G -1.5443 Soluble
215 D G -2.5383 Soluble
216 K G -1.8516 Soluble
217 K G -2.4241 Soluble
218 V G 0.0000 Buried
219 E G -2.4903 Soluble
220 P G -1.2121 Soluble
1 D H -2.1509 Soluble
2 I H -1.6080 Soluble
3 Q H -1.9695 Soluble
4 M H 0.0000 Buried
5 T H -1.0275 Soluble
6 Q H -0.9047 Soluble
7 S H -0.6574 Soluble
8 P H -0.4465 Soluble
9 S H -0.5672 Soluble
10 S H -0.4109 Soluble
11 L H -0.0689 Soluble
12 S H -0.5368 Soluble
13 A H 0.0000 Buried
14 S H -0.4198 Soluble
15 V H 0.4185 Aggregation-prone
16 G H -0.7191 Soluble
17 D H -1.6549 Soluble
18 R H -2.2916 Soluble
19 V H 0.0000 Buried
20 T H -0.6400 Soluble
21 I H 0.0000 Buried
22 T H -0.8899 Soluble
23 C H 0.0000 Buried
24 K H -2.3286 Soluble
25 A H 0.0000 Buried
26 S H -1.8333 Soluble
27 Q H -2.4495 Soluble
28 D H -2.3975 Soluble
29 V H 0.0000 Buried
36 S H -0.8810 Soluble
37 T H -0.1110 Soluble
38 A H 0.0000 Buried
39 V H 0.0000 Buried
40 A H 0.0000 Buried
41 W H 0.0000 Buried
42 Y H 0.0000 Buried
43 Q H 0.0000 Buried
44 Q H 0.0000 Buried
45 K H -1.6121 Soluble
46 P H -1.5438 Soluble
47 G H -1.8195 Soluble
48 K H -2.5336 Soluble
49 A H 0.0000 Buried
50 P H 0.0000 Buried
51 K H -1.2704 Soluble
52 L H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H 0.7102 Aggregation-prone
56 S H 0.0000 Buried
57 A H 0.0000 Buried
65 S H 0.1419 Aggregation-prone
66 Y H 0.8976 Aggregation-prone
67 R H -0.2471 Soluble
68 Y H 0.0661 Aggregation-prone
69 T H -0.1469 Soluble
70 G H -0.5250 Soluble
71 V H -0.5113 Soluble
72 P H -0.5291 Soluble
74 S H -0.6609 Soluble
75 R H -0.8032 Soluble
76 F H 0.0000 Buried
77 S H -0.3894 Soluble
78 G H 0.0000 Buried
79 S H -0.5274 Soluble
80 G H -1.0953 Soluble
83 S H -1.1734 Soluble
84 G H -1.7480 Soluble
85 T H -2.2007 Soluble
86 D H -2.6039 Soluble
87 F H 0.0000 Buried
88 T H -0.8525 Soluble
89 L H 0.0000 Buried
90 T H -0.5800 Soluble
91 I H 0.0000 Buried
92 S H -1.3467 Soluble
93 S H -1.1290 Soluble
94 L H 0.0000 Buried
95 N H -0.8880 Soluble
96 P H -0.8868 Soluble
97 E H -1.9013 Soluble
98 D H 0.0000 Buried
99 F H -0.3137 Soluble
100 A H 0.0000 Buried
101 T H -0.3892 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 Q H 0.0000 Buried
106 Q H 0.0000 Buried
107 H H 0.0000 Buried
108 Y H 1.1919 Aggregation-prone
109 S H 0.2794 Aggregation-prone
114 T H -0.2546 Soluble
115 P H -0.6449 Soluble
116 W H -0.1154 Soluble
117 T H -0.4907 Soluble
118 F H -0.2910 Soluble
119 G H 0.0000 Buried
120 G H -1.0068 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 K H -0.5610 Soluble
124 V H 0.0000 Buried
125 E H 0.0000 Buried
126 I H -0.3294 Soluble
127 K H -1.2173 Soluble
128 R H -1.0200 Soluble
129 T H 0.1396 Aggregation-prone
130 V H 1.1163 Aggregation-prone
131 A H 0.4299 Aggregation-prone
132 A H 0.0137 Aggregation-prone
133 P H 0.0000 Buried
134 S H 0.0014 Aggregation-prone
135 V H 0.0000 Buried
136 F H 0.2611 Aggregation-prone
137 I H 0.1399 Aggregation-prone
138 F H 0.0000 Buried
139 P H -0.7519 Soluble
140 P H 0.0000 Buried
141 S H -1.4987 Soluble
142 D H -2.7406 Soluble
143 E H -2.5505 Soluble
144 Q H 0.0000 Buried
145 L H -1.9201 Soluble
146 K H -2.6578 Soluble
147 S H -1.5925 Soluble
148 G H -1.1486 Soluble
149 T H -0.9225 Soluble
150 A H 0.0000 Buried
151 S H 0.0000 Buried
152 V H 0.0000 Buried
153 V H 0.0000 Buried
154 C H 0.0000 Buried
155 L H 0.0000 Buried
156 L H 0.0000 Buried
157 N H 0.0000 Buried
158 N H -0.7554 Soluble
159 F H 0.0000 Buried
160 Y H 0.0000 Buried
161 P H -1.2223 Soluble
162 R H -2.0678 Soluble
163 E H -2.7624 Soluble
164 A H -2.0978 Soluble
165 K H -2.3839 Soluble
166 V H -1.1199 Soluble
167 Q H -0.6562 Soluble
168 W H 0.0000 Buried
169 K H -0.6354 Soluble
170 V H 0.0000 Buried
171 D H -2.1955 Soluble
172 N H -1.6155 Soluble
173 A H -0.2908 Soluble
174 L H 0.7563 Aggregation-prone
175 Q H -0.0322 Soluble
176 S H -0.3493 Soluble
177 G H -0.8233 Soluble
178 N H -0.7402 Soluble
179 S H -0.9153 Soluble
180 Q H -1.0331 Soluble
181 E H -1.4334 Soluble
182 S H -0.6168 Soluble
183 V H -0.4322 Soluble
184 T H -0.9949 Soluble
185 E H -2.1744 Soluble
186 Q H -1.7083 Soluble
187 D H -1.9035 Soluble
188 S H -1.7222 Soluble
189 K H -2.2962 Soluble
190 D H -1.8065 Soluble
191 S H -1.7026 Soluble
192 T H 0.0000 Buried
193 Y H 0.0000 Buried
194 S H 0.0000 Buried
195 L H 0.0000 Buried
196 S H 0.0000 Buried
197 S H 0.0000 Buried
198 T H -0.4517 Soluble
199 L H 0.0000 Buried
200 T H -0.4267 Soluble
201 L H -0.6929 Soluble
202 S H -1.2621 Soluble
203 K H -2.0947 Soluble
204 A H -1.9437 Soluble
205 D H -2.6447 Soluble
206 Y H 0.0000 Buried
207 E H -3.8449 Soluble
208 K H -3.8319 Soluble
209 H H -3.3748 Soluble
210 K H -3.5733 Soluble
211 V H -1.8583 Soluble
212 Y H 0.0000 Buried
213 A H -0.9823 Soluble
214 C H 0.0000 Buried
215 E H -1.0298 Soluble
216 V H 0.0000 Buried
217 T H -1.2701 Soluble
218 H H 0.0000 Buried
219 Q H -1.2615 Soluble
220 G H -0.2737 Soluble
221 L H -0.2128 Soluble
222 S H -0.4894 Soluble
223 S H -0.4427 Soluble
224 P H -0.5794 Soluble
225 V H -0.0823 Soluble
226 T H -0.5722 Soluble
227 K H -0.8261 Soluble
228 S H -0.7792 Soluble
229 F H -1.1191 Soluble
230 N H -2.4926 Soluble
231 R H -3.1760 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
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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 -0.6128 3.5426 CSV PDB
4.5 -0.6571 3.4796 CSV PDB
5.0 -0.7085 3.4001 CSV PDB
5.5 -0.7574 3.3171 CSV PDB
6.0 -0.7934 3.2436 CSV PDB
6.5 -0.8079 3.1918 CSV PDB
7.0 -0.801 3.1649 CSV PDB
7.5 -0.7801 3.1541 CSV PDB
8.0 -0.7515 3.1504 CSV PDB
8.5 -0.7168 3.1491 CSV PDB
9.0 -0.6749 3.1487 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH