Domagrozumab / 5f3h

A4DAB088_5f3h_C_D | Source PDB: 5f3h | Chains: C, D | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.6384
Max Score
1.1073
Min Score
-3.7487
Total Score
-269.38
Score CDR
-0.2071
Score non-CDR
-0.6873

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSTISSGGSYTSYPDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKQDYAMNYWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCKASQDVSTAVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLNPEDFATYYCQQHYSTPWTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) C (Heavy), D (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 -3.7487
Maximum Score 1.1073
Average Score -0.6384
Total Score -269.3844

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

Index Residue Chain A4D Score Classification
1 E C -1.9451 Soluble
2 V C -0.8236 Soluble
3 Q C -0.6888 Soluble
4 L C 0.0000 Buried
5 L C 0.8196 Aggregation-prone
6 E C 0.0392 Aggregation-prone
7 S C -0.4534 Soluble
8 G C -1.0453 Soluble
9 G C -0.5658 Soluble
11 G C -0.0415 Soluble
12 L C -0.0229 Soluble
13 V C 0.0000 Buried
14 Q C -1.6346 Soluble
15 P C -1.7351 Soluble
16 G C -1.4155 Soluble
17 G C -1.1401 Soluble
18 S C -1.0514 Soluble
19 L C -1.0496 Soluble
20 R C -1.8505 Soluble
21 L C 0.0000 Buried
22 S C -0.4813 Soluble
23 C C 0.0000 Buried
24 A C -0.0877 Soluble
25 A C 0.0000 Buried
26 S C -0.6943 Soluble
27 G C -1.1045 Soluble
28 F C -0.3811 Soluble
29 T C -0.1756 Soluble
30 F C 0.0000 Buried
35 S C -0.8772 Soluble
36 S C -0.2839 Soluble
37 Y C -0.2186 Soluble
38 A C -0.2744 Soluble
39 M C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7481 Soluble
45 A C -1.1533 Soluble
46 P C -0.9474 Soluble
47 G C -1.4700 Soluble
48 K C -2.2932 Soluble
49 G C -1.4542 Soluble
50 L C 0.0000 Buried
51 E C -0.9325 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 T C 0.0000 Buried
56 I C 0.0000 Buried
57 S C 0.1186 Aggregation-prone
58 S C -0.2711 Soluble
59 G C -0.5943 Soluble
62 G C -0.3148 Soluble
63 S C 0.1611 Aggregation-prone
64 Y C 1.0391 Aggregation-prone
65 T C 0.5279 Aggregation-prone
66 S C -0.1426 Soluble
67 Y C -0.8900 Soluble
68 P C 0.0000 Buried
69 D C -2.4860 Soluble
70 S C -1.7517 Soluble
71 V C 0.0000 Buried
72 K C -2.5416 Soluble
74 G C -1.6454 Soluble
75 R C 0.0000 Buried
76 F C 0.0000 Buried
77 T C -0.7549 Soluble
78 I C 0.0000 Buried
79 S C -0.2669 Soluble
80 R C -1.1132 Soluble
81 D C -1.6657 Soluble
82 N C -1.7052 Soluble
83 S C -1.5971 Soluble
84 K C -2.4111 Soluble
85 N C -1.8178 Soluble
86 T C -1.0880 Soluble
87 L C 0.0000 Buried
88 Y C -0.5794 Soluble
89 L C 0.0000 Buried
90 Q C -1.0279 Soluble
91 M C 0.0000 Buried
92 N C -1.2493 Soluble
93 S C -1.1350 Soluble
94 L C 0.0000 Buried
95 R C -2.3237 Soluble
96 A C -1.7590 Soluble
97 E C -2.2549 Soluble
98 D C 0.0000 Buried
99 T C -0.6686 Soluble
100 A C 0.0000 Buried
101 V C 0.2887 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 K C 0.0000 Buried
107 Q C 0.0000 Buried
108 D C -0.9588 Soluble
109 Y C 0.6693 Aggregation-prone
114 A C 0.0000 Buried
115 M C 0.0000 Buried
116 N C 0.0000 Buried
117 Y C 0.2565 Aggregation-prone
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.3622 Soluble
121 G C -0.5533 Soluble
122 T C -0.0871 Soluble
123 L C 0.2271 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -1.0301 Soluble
128 S C -0.7420 Soluble
129 A C -0.5293 Soluble
130 S C -0.6624 Soluble
131 T C -0.6888 Soluble
132 K C -1.3861 Soluble
133 G C -1.4080 Soluble
134 P C 0.0000 Buried
135 S C -0.2861 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1375 Soluble
139 L C 0.0000 Buried
140 A C -0.8147 Soluble
141 P C 0.0000 Buried
142 S C -0.4407 Soluble
143 G C -0.8263 Soluble
144 G C -0.8473 Soluble
145 T C -0.5794 Soluble
146 A C -0.3183 Soluble
147 A C 0.0000 Buried
148 L C 0.0000 Buried
149 G C 0.0000 Buried
150 C C 0.0000 Buried
151 L C 0.0000 Buried
152 V C 0.0000 Buried
153 K C 0.0000 Buried
154 D C -0.5078 Soluble
155 Y C 0.0000 Buried
156 F C 0.0000 Buried
157 P C 0.0000 Buried
158 E C -0.5389 Soluble
159 P C -0.7529 Soluble
160 V C -0.7094 Soluble
161 T C -0.5683 Soluble
162 V C -0.3288 Soluble
163 S C -0.3991 Soluble
164 W C 0.0000 Buried
165 N C -0.8174 Soluble
166 S C -0.7041 Soluble
167 G C -0.5408 Soluble
168 A C -0.2451 Soluble
169 L C -0.0061 Soluble
170 T C -0.1414 Soluble
171 S C -0.1459 Soluble
172 G C -0.1305 Soluble
173 V C 0.2527 Aggregation-prone
174 H C 0.0000 Buried
175 T C -0.1068 Soluble
176 F C 0.0000 Buried
177 P C -0.3238 Soluble
178 A C 0.1795 Aggregation-prone
179 V C 0.4728 Aggregation-prone
180 L C 0.8391 Aggregation-prone
181 Q C 0.1264 Aggregation-prone
182 S C -0.2132 Soluble
183 S C -0.2452 Soluble
184 G C -0.0456 Soluble
185 L C 0.0336 Aggregation-prone
186 Y C 0.2437 Aggregation-prone
187 S C 0.0000 Buried
188 L C 0.0000 Buried
189 S C 0.0000 Buried
190 S C 0.0000 Buried
191 V C 0.0000 Buried
192 V C 0.0000 Buried
193 T C -0.1102 Soluble
194 V C 0.0000 Buried
195 P C -0.5448 Soluble
196 S C -0.6150 Soluble
197 S C -0.6314 Soluble
198 S C -0.5473 Soluble
199 L C -0.8051 Soluble
200 G C -1.0799 Soluble
201 T C -0.6905 Soluble
202 Q C -1.1893 Soluble
203 T C -1.1826 Soluble
204 Y C 0.0000 Buried
205 I C -1.4999 Soluble
206 C C 0.0000 Buried
207 N C -1.5342 Soluble
208 V C 0.0000 Buried
209 N C -1.8594 Soluble
210 H C 0.0000 Buried
211 K C -2.6768 Soluble
212 P C -1.5621 Soluble
213 S C -1.8534 Soluble
214 N C -2.5148 Soluble
215 T C -2.0491 Soluble
216 K C -2.6642 Soluble
217 V C -1.5884 Soluble
218 D C -2.6747 Soluble
219 K C -2.2152 Soluble
220 K C -2.6997 Soluble
221 V C 0.0000 Buried
222 E C -2.5400 Soluble
223 P C -1.2049 Soluble
1 D D -2.2098 Soluble
2 I D 0.0000 Buried
3 Q D -2.0218 Soluble
4 M D 0.0000 Buried
5 T D -0.9617 Soluble
6 Q D -0.8312 Soluble
7 S D -0.5680 Soluble
8 P D -0.4566 Soluble
9 S D -0.5973 Soluble
10 S D -0.4866 Soluble
11 L D -0.1496 Soluble
12 S D -0.6415 Soluble
13 A D 0.0000 Buried
14 S D -0.4492 Soluble
15 V D 0.4528 Aggregation-prone
16 G D -0.7126 Soluble
17 D D -1.6143 Soluble
18 R D -2.2801 Soluble
19 V D 0.0000 Buried
20 T D -0.5280 Soluble
21 I D 0.0000 Buried
22 T D -0.7455 Soluble
23 C D 0.0000 Buried
24 K D -2.2248 Soluble
25 A D -1.9845 Soluble
26 S D -1.8365 Soluble
27 Q D -2.2607 Soluble
28 D D -2.5214 Soluble
29 V D 0.0000 Buried
36 S D -1.0239 Soluble
37 T D -0.4447 Soluble
38 A D 0.1779 Aggregation-prone
39 V D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.5716 Soluble
46 P D -1.5380 Soluble
47 G D -1.6264 Soluble
48 K D -2.4951 Soluble
49 A D -1.5795 Soluble
50 P D 0.0000 Buried
51 K D -1.3301 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.6472 Aggregation-prone
56 S D 0.0000 Buried
57 A D 0.0000 Buried
65 S D 0.1595 Aggregation-prone
66 Y D 0.9053 Aggregation-prone
67 R D -0.2583 Soluble
68 Y D -0.0380 Soluble
69 T D -0.2163 Soluble
70 G D -0.6098 Soluble
71 V D 0.0000 Buried
72 P D -0.5854 Soluble
74 S D -0.6817 Soluble
75 R D -0.8386 Soluble
76 F D 0.0000 Buried
77 S D -0.3771 Soluble
78 G D 0.0000 Buried
79 S D -0.5049 Soluble
80 G D -1.0563 Soluble
83 S D -1.2234 Soluble
84 G D -1.8105 Soluble
85 T D -2.1179 Soluble
86 D D -2.4831 Soluble
87 F D 0.0000 Buried
88 T D -0.7257 Soluble
89 L D 0.0000 Buried
90 T D -0.5668 Soluble
91 I D 0.0000 Buried
92 S D -1.3488 Soluble
93 S D -1.1539 Soluble
94 L D 0.0000 Buried
95 N D -0.7978 Soluble
96 P D -0.7362 Soluble
97 E D -1.5690 Soluble
98 D D 0.0000 Buried
99 F D -0.2840 Soluble
100 A D 0.0000 Buried
101 T D -0.4658 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.4977 Aggregation-prone
108 Y D 0.7178 Aggregation-prone
109 S D 0.1373 Aggregation-prone
114 T D -0.2862 Soluble
115 P D -0.6367 Soluble
116 W D -0.1866 Soluble
117 T D -0.5549 Soluble
118 F D -0.3468 Soluble
119 G D 0.0000 Buried
120 G D -0.9959 Soluble
121 G D -0.7854 Soluble
122 T D 0.0000 Buried
123 K D -0.6634 Soluble
124 V D 0.0000 Buried
125 E D -0.8412 Soluble
126 I D -0.4104 Soluble
127 K D -1.3102 Soluble
128 R D -0.9997 Soluble
129 T D 0.1387 Aggregation-prone
130 V D 1.1073 Aggregation-prone
131 A D 0.4339 Aggregation-prone
132 A D 0.0061 Aggregation-prone
133 P D 0.0000 Buried
134 S D -0.0551 Soluble
135 V D 0.0000 Buried
136 F D 0.1670 Aggregation-prone
137 I D 0.1037 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.7676 Soluble
140 P D 0.0000 Buried
141 S D -1.5343 Soluble
142 D D -2.7781 Soluble
143 E D -2.6216 Soluble
144 Q D 0.0000 Buried
145 L D -2.1339 Soluble
146 K D -2.6983 Soluble
147 S D -1.6144 Soluble
148 G D -1.1890 Soluble
149 T D -0.9869 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.6057 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.2684 Soluble
162 R D -2.0913 Soluble
163 E D -2.7346 Soluble
164 A D -2.0045 Soluble
165 K D -2.0366 Soluble
166 V D -1.0053 Soluble
167 Q D -0.5821 Soluble
168 W D 0.0000 Buried
169 K D -0.6190 Soluble
170 V D 0.0000 Buried
171 D D -2.1395 Soluble
172 N D -1.5915 Soluble
173 A D -0.3024 Soluble
174 L D 0.7314 Aggregation-prone
175 Q D -0.1277 Soluble
176 S D -0.4043 Soluble
177 G D -0.8714 Soluble
178 N D -0.8056 Soluble
179 S D -0.9587 Soluble
180 Q D -1.0507 Soluble
181 E D -1.3022 Soluble
182 S D -0.6375 Soluble
183 V D -0.4015 Soluble
184 T D 0.0000 Buried
185 E D -2.1291 Soluble
186 Q D -1.6462 Soluble
187 D D -1.7221 Soluble
188 S D -1.6036 Soluble
189 K D -2.1222 Soluble
190 D D -1.4492 Soluble
191 S D -1.5432 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.4672 Soluble
199 L D 0.0000 Buried
200 T D -0.4716 Soluble
201 L D -0.7281 Soluble
202 S D -1.3143 Soluble
203 K D -2.2326 Soluble
204 A D -1.9602 Soluble
205 D D -2.6350 Soluble
206 Y D 0.0000 Buried
207 E D -3.6605 Soluble
208 K D -3.7487 Soluble
209 H D -3.1721 Soluble
210 K D -3.5299 Soluble
211 V D -1.8586 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.9056 Soluble
216 V D 0.0000 Buried
217 T D -1.1572 Soluble
218 H D 0.0000 Buried
219 Q D -1.2720 Soluble
220 G D -0.3032 Soluble
221 L D -0.2205 Soluble
222 S D -0.4914 Soluble
223 S D -0.4344 Soluble
224 P D -0.5154 Soluble
225 V D -0.0313 Soluble
226 T D -0.5239 Soluble
227 K D -0.7812 Soluble
228 S D -0.8090 Soluble
229 F D -1.1184 Soluble
230 N D -2.5056 Soluble
231 R D -3.1639 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 -0.6436 1.7748 CSV PDB
4.5 -0.686 1.7241 CSV PDB
5.0 -0.7346 1.6452 CSV PDB
5.5 -0.7807 1.5506 CSV PDB
6.0 -0.814 1.4554 CSV PDB
6.5 -0.8261 1.3962 CSV PDB
7.0 -0.8165 1.4468 CSV PDB
7.5 -0.7924 1.5291 CSV PDB
8.0 -0.7598 1.6219 CSV PDB
8.5 -0.7204 1.7181 CSV PDB
9.0 -0.6736 1.813 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH