Fresolimumab / 3eo0

A4DAB120_3eo0_B_A | Source PDB: 3eo0 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6366
Max Score
2.3389
Min Score
-3.504
Total Score
-276.9
Score CDR
0.1794
Score non-CDR
-0.7378

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEPETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.504
Maximum Score 2.3389
Average Score -0.6366
Total Score -276.9039

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

Index Residue Chain A4D Score Classification
1 Q B -1.2319 Soluble
2 V B -0.3074 Soluble
3 Q B -0.7084 Soluble
4 L B 0.0000 Buried
5 V B 0.2734 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.5060 Soluble
8 G B -0.4973 Soluble
9 A B -0.0031 Soluble
11 E B -0.2855 Soluble
12 V B 0.1903 Aggregation-prone
13 K B -1.3445 Soluble
14 K B -2.4092 Soluble
15 P B -2.1267 Soluble
16 G B -1.7349 Soluble
17 S B -1.3315 Soluble
18 S B -1.4498 Soluble
19 V B 0.0000 Buried
20 K B -2.2058 Soluble
21 V B 0.0000 Buried
22 S B -0.5599 Soluble
23 C B 0.0000 Buried
24 K B -0.7126 Soluble
25 A B -0.6066 Soluble
26 S B -0.4469 Soluble
27 G B -0.5116 Soluble
28 Y B 0.3870 Aggregation-prone
29 T B 0.7718 Aggregation-prone
30 F B 1.6298 Aggregation-prone
35 S B 0.4095 Aggregation-prone
36 S B 0.3105 Aggregation-prone
37 N B 0.0699 Aggregation-prone
38 V B 0.0000 Buried
39 I B 0.0000 Buried
40 S B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.5256 Soluble
45 A B -0.8370 Soluble
46 P B -0.7460 Soluble
47 G B -1.2257 Soluble
48 Q B -1.8524 Soluble
49 G B -1.2780 Soluble
50 L B 0.0000 Buried
51 E B -0.6081 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 G B 0.0000 Buried
56 V B 0.0000 Buried
57 I B 1.1266 Aggregation-prone
58 P B 0.4647 Aggregation-prone
59 I B 1.9720 Aggregation-prone
62 V B 2.3389 Aggregation-prone
63 D B 0.5446 Aggregation-prone
64 I B 2.0159 Aggregation-prone
65 A B 0.5130 Aggregation-prone
66 N B -0.6822 Soluble
67 Y B -1.4518 Soluble
68 A B 0.0000 Buried
69 Q B -3.1207 Soluble
70 R B -3.0099 Soluble
71 F B 0.0000 Buried
72 K B -3.1243 Soluble
74 G B -1.9515 Soluble
75 R B -1.7989 Soluble
76 V B 0.0000 Buried
77 T B -1.1555 Soluble
78 I B 0.0000 Buried
79 T B -0.4379 Soluble
80 A B -0.3676 Soluble
81 D B -1.6626 Soluble
82 E B -1.6776 Soluble
83 S B -1.0730 Soluble
84 T B -1.0893 Soluble
85 S B -1.1029 Soluble
86 T B 0.0000 Buried
87 T B 0.0000 Buried
88 Y B -0.6427 Soluble
89 M B 0.0000 Buried
90 E B -1.8567 Soluble
91 L B 0.0000 Buried
92 S B -1.2955 Soluble
93 S B -1.2597 Soluble
94 L B 0.0000 Buried
95 R B -2.9624 Soluble
96 S B -2.0776 Soluble
97 E B -1.9859 Soluble
98 D B 0.0000 Buried
99 T B -0.6067 Soluble
100 A B 0.0000 Buried
101 V B 0.3647 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 S B 0.0000 Buried
107 T B 0.0000 Buried
108 L B 0.8164 Aggregation-prone
109 G B 0.5852 Aggregation-prone
110 L B 1.6551 Aggregation-prone
111 V B 0.9864 Aggregation-prone
112 L B 0.6152 Aggregation-prone
113 D B 0.0000 Buried
114 A B 0.0000 Buried
115 M B 0.0000 Buried
116 D B -0.1368 Soluble
117 Y B 0.4329 Aggregation-prone
118 W B -0.0612 Soluble
119 G B 0.0000 Buried
120 Q B -1.1640 Soluble
121 G B -0.5141 Soluble
122 T B 0.0000 Buried
123 L B 0.4783 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B 0.0000 Buried
128 S B -0.9074 Soluble
129 A B -0.5984 Soluble
130 S B -0.3776 Soluble
131 T B -0.6718 Soluble
132 K B -1.1679 Soluble
133 G B -1.3128 Soluble
134 P B 0.0000 Buried
135 S B -0.4284 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.3512 Soluble
139 L B 0.0000 Buried
140 A B -0.5677 Soluble
141 P B -0.4187 Soluble
142 C B -0.4910 Soluble
143 S B -0.7443 Soluble
144 R B -1.1602 Soluble
145 S B -0.9162 Soluble
146 T B -0.6568 Soluble
147 S B -0.6691 Soluble
148 E B -0.8742 Soluble
149 S B -0.6897 Soluble
150 T B -0.5238 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.5321 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B -0.6387 Soluble
163 E B -0.8046 Soluble
164 P B -0.8088 Soluble
165 V B -0.6736 Soluble
166 T B -0.4992 Soluble
167 V B -0.2784 Soluble
168 S B -0.4104 Soluble
169 W B 0.0000 Buried
170 N B -1.1200 Soluble
171 S B -0.8178 Soluble
172 G B -0.5967 Soluble
173 A B -0.2926 Soluble
174 L B -0.1052 Soluble
175 T B -0.2061 Soluble
176 S B -0.2071 Soluble
177 G B -0.2705 Soluble
178 V B 0.1018 Aggregation-prone
179 H B -0.3624 Soluble
180 T B 0.0125 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.4612 Soluble
183 A B -0.0461 Soluble
184 V B 0.1523 Aggregation-prone
185 L B 0.4261 Aggregation-prone
186 Q B -0.0204 Soluble
187 S B -0.2226 Soluble
188 S B -0.3287 Soluble
189 G B -0.3402 Soluble
190 L B -0.1534 Soluble
191 Y B 0.0000 Buried
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1651 Soluble
199 V B 0.0000 Buried
200 P B -0.4060 Soluble
201 S B -0.5857 Soluble
202 S B -0.6025 Soluble
203 S B 0.0000 Buried
204 L B -0.8947 Soluble
205 G B -1.2776 Soluble
206 T B -1.1249 Soluble
207 K B -1.8807 Soluble
208 T B -1.6715 Soluble
209 Y B 0.0000 Buried
210 T B 0.0000 Buried
211 C B 0.0000 Buried
212 N B 0.0000 Buried
213 V B 0.0000 Buried
214 D B -1.7067 Soluble
215 H B 0.0000 Buried
216 K B -2.7333 Soluble
217 P B -1.6946 Soluble
218 S B -1.8331 Soluble
219 N B -2.5535 Soluble
220 T B -1.9986 Soluble
221 K B -2.5032 Soluble
222 V B -1.3762 Soluble
223 D B -2.6819 Soluble
224 K B -2.3923 Soluble
225 R B -3.0171 Soluble
226 V B 0.0000 Buried
227 E B -2.4927 Soluble
228 P B -1.0699 Soluble
1 E A -1.9792 Soluble
2 T A 0.0000 Buried
3 V A 0.6176 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.7867 Soluble
6 Q A 0.0000 Buried
7 S A -0.9264 Soluble
8 P A -0.5259 Soluble
9 G A -0.8737 Soluble
10 T A -0.4913 Soluble
11 L A -0.1745 Soluble
12 S A -0.4527 Soluble
13 L A -0.7070 Soluble
14 S A -1.2625 Soluble
15 P A -1.7674 Soluble
16 G A -2.0781 Soluble
17 E A -2.4960 Soluble
18 R A -3.0718 Soluble
19 A A 0.0000 Buried
20 T A -0.5504 Soluble
21 L A 0.0000 Buried
22 S A -0.9296 Soluble
23 C A 0.0000 Buried
24 R A -2.3156 Soluble
25 A A 0.0000 Buried
26 S A -1.0425 Soluble
27 Q A -1.7284 Soluble
28 S A -1.2777 Soluble
29 L A 0.0000 Buried
30 G A -0.5652 Soluble
36 S A -0.5087 Soluble
37 S A 0.1146 Aggregation-prone
38 Y A 0.5593 Aggregation-prone
39 L A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.3964 Soluble
46 P A -1.4394 Soluble
47 G A -1.4313 Soluble
48 Q A -2.0447 Soluble
49 A A -1.1962 Soluble
50 P A 0.0000 Buried
51 R A -1.0869 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.2938 Aggregation-prone
56 G A 0.0849 Aggregation-prone
57 A A 0.0000 Buried
65 S A -0.4749 Soluble
66 S A -0.5452 Soluble
67 R A -1.3103 Soluble
68 A A 0.0000 Buried
69 P A -0.7642 Soluble
70 G A -0.9578 Soluble
71 I A 0.0000 Buried
72 P A -1.3502 Soluble
74 D A -2.2244 Soluble
75 R A -2.1738 Soluble
76 F A 0.0000 Buried
77 S A -0.9170 Soluble
78 G A 0.0000 Buried
79 S A -0.6776 Soluble
80 G A -1.0740 Soluble
83 S A -0.9844 Soluble
84 G A -1.1431 Soluble
85 T A -1.7533 Soluble
86 D A -2.1207 Soluble
87 F A 0.0000 Buried
88 T A -0.7490 Soluble
89 L A 0.0000 Buried
90 T A -0.8329 Soluble
91 I A 0.0000 Buried
92 S A -2.3882 Soluble
93 R A -3.2378 Soluble
94 L A 0.0000 Buried
95 E A -2.5193 Soluble
96 P A -1.5755 Soluble
97 E A -2.2655 Soluble
98 D A 0.0000 Buried
99 F A -0.5699 Soluble
100 A A 0.0000 Buried
101 V A -0.1591 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 Y A 0.0000 Buried
108 A A -0.7408 Soluble
109 D A -1.9614 Soluble
114 S A -1.5681 Soluble
115 P A 0.0000 Buried
116 I A 0.0000 Buried
117 T A -0.3208 Soluble
118 F A 0.0978 Aggregation-prone
119 G A 0.0000 Buried
120 Q A -1.3753 Soluble
121 G A -0.9761 Soluble
122 T A 0.0000 Buried
123 R A -0.6029 Soluble
124 L A 0.0000 Buried
125 E A 0.0000 Buried
126 I A -0.5336 Soluble
127 K A -1.1317 Soluble
128 R A -0.9806 Soluble
129 T A -0.0668 Soluble
130 V A 0.5985 Aggregation-prone
131 A A 0.1293 Aggregation-prone
132 A A -0.0732 Soluble
133 P A 0.0000 Buried
134 S A -0.1910 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.2455 Soluble
140 P A 0.0000 Buried
141 S A -1.6834 Soluble
142 D A -3.0361 Soluble
143 E A -3.2652 Soluble
144 Q A 0.0000 Buried
145 L A -2.3535 Soluble
146 K A -2.9173 Soluble
147 S A -1.7856 Soluble
148 G A -1.3940 Soluble
149 T A -1.0634 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.8209 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.1274 Soluble
162 R A -1.8812 Soluble
163 E A -2.6770 Soluble
164 A A -2.0930 Soluble
165 K A -2.2977 Soluble
166 V A 0.0000 Buried
167 Q A -0.7450 Soluble
168 W A 0.0000 Buried
169 K A -0.6247 Soluble
170 V A 0.0000 Buried
171 D A -1.6960 Soluble
172 N A -1.4708 Soluble
173 A A -0.3846 Soluble
174 L A 0.3764 Aggregation-prone
175 Q A -0.4449 Soluble
176 S A -0.7659 Soluble
177 G A -1.2905 Soluble
178 N A -1.6526 Soluble
179 S A -1.4835 Soluble
180 Q A -1.4057 Soluble
181 E A -1.8539 Soluble
182 S A -1.0265 Soluble
183 V A -0.7142 Soluble
184 T A -1.0740 Soluble
185 E A -2.1589 Soluble
186 Q A -1.7204 Soluble
187 D A -2.0231 Soluble
188 S A -1.7557 Soluble
189 K A -2.2711 Soluble
190 D A -1.7542 Soluble
191 S A -1.6995 Soluble
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A 0.0000 Buried
199 L A 0.0000 Buried
200 T A -0.6774 Soluble
201 L A -0.9213 Soluble
202 S A -1.1370 Soluble
203 K A -2.0843 Soluble
204 A A -1.9553 Soluble
205 D A -2.9045 Soluble
206 Y A 0.0000 Buried
207 E A -3.2764 Soluble
208 K A -3.5040 Soluble
209 H A -2.6339 Soluble
210 K A -2.3606 Soluble
211 V A -0.7887 Soluble
212 Y A 0.0000 Buried
213 A A -0.6187 Soluble
214 C A 0.0000 Buried
215 E A -0.5925 Soluble
216 V A 0.0000 Buried
217 T A -1.2147 Soluble
218 H A 0.0000 Buried
219 Q A -1.4203 Soluble
220 G A -0.3483 Soluble
221 L A -0.1666 Soluble
222 S A -0.4290 Soluble
223 S A -0.3827 Soluble
224 P A -0.4510 Soluble
225 V A 0.2508 Aggregation-prone
226 T A -0.2522 Soluble
227 K A -0.3813 Soluble
228 S A -0.4080 Soluble
229 F A 0.0000 Buried
230 N A -1.3251 Soluble
231 R A -1.8558 Soluble
232 G A -1.7775 Soluble
233 E A -2.1198 Soluble
234 C A -0.9241 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
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 -0.6004 3.952 CSV PDB
4.5 -0.6476 3.7854 CSV PDB
5.0 -0.7044 3.6388 CSV PDB
5.5 -0.7607 3.6388 CSV PDB
6.0 -0.8056 3.6388 CSV PDB
6.5 -0.8304 3.6388 CSV PDB
7.0 -0.8331 3.6388 CSV PDB
7.5 -0.8198 3.6388 CSV PDB
8.0 -0.7974 3.6388 CSV PDB
8.5 -0.7684 3.6388 CSV PDB
9.0 -0.7329 3.6387 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH