Fresolimumab / 3eo1

A4DAB120_3eo1_B_A | Source PDB: 3eo1 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6521
Max Score
2.5661
Min Score
-3.7216
Total Score
-281.06
Score CDR
0.1432
Score non-CDR
-0.7518

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.7216
Maximum Score 2.5661
Average Score -0.6521
Total Score -281.0576

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

Index Residue Chain A4D Score Classification
1 Q B -1.3409 Soluble
2 V B -0.7091 Soluble
3 Q B -1.5569 Soluble
4 L B 0.0000 Buried
5 V B -0.4430 Soluble
6 Q B 0.0000 Buried
7 S B -0.8494 Soluble
8 G B -0.6964 Soluble
9 A B -0.3283 Soluble
11 E B -0.8908 Soluble
12 V B -0.3310 Soluble
13 K B -1.4752 Soluble
14 K B -2.3716 Soluble
15 P B -2.2310 Soluble
16 G B -1.6937 Soluble
17 S B -1.3323 Soluble
18 S B -1.4641 Soluble
19 V B 0.0000 Buried
20 K B -2.0730 Soluble
21 V B 0.0000 Buried
22 S B -0.7609 Soluble
23 C B 0.0000 Buried
24 K B -1.6266 Soluble
25 A B -1.0738 Soluble
26 S B -0.6104 Soluble
27 G B -0.4009 Soluble
28 Y B 1.0744 Aggregation-prone
29 T B 0.1189 Aggregation-prone
30 F B 0.0000 Buried
35 S B 0.2623 Aggregation-prone
36 S B 0.0593 Aggregation-prone
37 N B 0.4625 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 -0.4981 Soluble
45 A B -0.9559 Soluble
46 P B -1.0238 Soluble
47 G B -1.2244 Soluble
48 Q B -1.8634 Soluble
49 G B -1.3692 Soluble
50 L B 0.0000 Buried
51 E B -0.8012 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 1.5467 Aggregation-prone
58 P B 0.0000 Buried
59 I B 2.1308 Aggregation-prone
62 V B 2.5661 Aggregation-prone
63 D B 0.7521 Aggregation-prone
64 I B 1.8133 Aggregation-prone
65 A B 0.4539 Aggregation-prone
66 N B -0.9251 Soluble
67 Y B -1.6387 Soluble
68 A B 0.0000 Buried
69 Q B -3.1412 Soluble
70 R B -3.0529 Soluble
71 F B 0.0000 Buried
72 K B -3.1037 Soluble
74 G B -1.9465 Soluble
75 R B -1.4412 Soluble
76 V B 0.0000 Buried
77 T B -0.9266 Soluble
78 I B 0.0000 Buried
79 T B -0.1884 Soluble
80 A B -0.3223 Soluble
81 D B -1.5304 Soluble
82 E B -1.6544 Soluble
83 S B -1.2804 Soluble
84 T B -1.2095 Soluble
85 S B -1.4433 Soluble
86 T B -1.2490 Soluble
87 T B 0.0000 Buried
88 Y B -0.6808 Soluble
89 M B 0.0000 Buried
90 E B -1.4052 Soluble
91 L B 0.0000 Buried
92 S B -1.2133 Soluble
93 S B -1.2804 Soluble
94 L B 0.0000 Buried
95 R B -3.1113 Soluble
96 S B -2.4196 Soluble
97 E B -2.5945 Soluble
98 D B 0.0000 Buried
99 T B -1.0319 Soluble
100 A B 0.0000 Buried
101 V B 0.3286 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 0.9764 Aggregation-prone
109 G B 0.7953 Aggregation-prone
110 L B 2.1553 Aggregation-prone
111 V B 1.9194 Aggregation-prone
112 L B 1.1258 Aggregation-prone
113 D B 0.0000 Buried
114 A B 0.0000 Buried
115 M B 0.0000 Buried
116 D B -0.1617 Soluble
117 Y B -0.0384 Soluble
118 W B -0.1942 Soluble
119 G B 0.0000 Buried
120 Q B -1.3605 Soluble
121 G B -0.6156 Soluble
122 T B 0.0000 Buried
123 L B 0.0722 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -1.2157 Soluble
128 S B -0.9125 Soluble
129 A B -0.8288 Soluble
130 S B -0.9031 Soluble
131 T B -1.0172 Soluble
132 K B -1.9226 Soluble
133 G B -1.3247 Soluble
134 P B -0.8833 Soluble
135 S B -0.5528 Soluble
136 V B 0.0000 Buried
137 F B -0.8753 Soluble
138 P B -1.5155 Soluble
139 L B 0.0000 Buried
140 A B 0.0000 Buried
141 P B 0.0000 Buried
142 C B 0.2972 Aggregation-prone
143 S B -1.1598 Soluble
144 E B -2.0187 Soluble
145 S B -1.2888 Soluble
146 T B -0.9090 Soluble
147 A B -0.3526 Soluble
148 A B 0.0000 Buried
149 L B -0.1563 Soluble
150 G B 0.0000 Buried
151 C B 0.0000 Buried
152 L B 0.0000 Buried
153 V B 0.0000 Buried
154 K B 0.0000 Buried
155 D B -0.6141 Soluble
156 Y B 0.0000 Buried
157 F B 0.0000 Buried
158 P B 0.0000 Buried
159 E B -0.5412 Soluble
160 P B -0.8074 Soluble
161 V B -0.6991 Soluble
162 T B -0.6891 Soluble
163 V B 0.0000 Buried
164 S B -0.6002 Soluble
165 W B 0.0000 Buried
166 N B -0.7533 Soluble
167 S B -0.6278 Soluble
168 G B -0.5851 Soluble
169 A B -0.1484 Soluble
170 L B 0.2093 Aggregation-prone
171 T B -0.0224 Soluble
172 S B -0.2560 Soluble
173 G B -0.0435 Soluble
174 V B 0.2481 Aggregation-prone
175 H B 0.0000 Buried
176 T B 0.0051 Aggregation-prone
177 F B 0.0000 Buried
178 P B -0.0747 Soluble
179 A B 0.2632 Aggregation-prone
180 V B 0.5642 Aggregation-prone
181 L B 0.9330 Aggregation-prone
182 Q B 0.1250 Aggregation-prone
183 S B -0.1381 Soluble
184 S B -0.2835 Soluble
185 G B -0.0971 Soluble
186 L B -0.1856 Soluble
187 Y B 0.0000 Buried
188 S B 0.0613 Aggregation-prone
189 L B 0.0000 Buried
190 S B 0.0000 Buried
191 S B 0.0000 Buried
192 V B 0.0000 Buried
193 V B 0.0000 Buried
194 T B 0.0499 Aggregation-prone
195 V B 0.0347 Aggregation-prone
196 P B -0.4100 Soluble
197 S B -0.4600 Soluble
198 S B -0.1132 Soluble
199 S B 0.1185 Aggregation-prone
200 L B 0.5683 Aggregation-prone
201 G B -0.3367 Soluble
202 T B -0.6297 Soluble
203 K B -1.8280 Soluble
204 T B -1.1182 Soluble
205 Y B -1.3525 Soluble
206 T B -1.3493 Soluble
207 C B 0.0000 Buried
208 N B -1.5233 Soluble
209 V B 0.0000 Buried
210 D B -2.3035 Soluble
211 H B 0.0000 Buried
212 K B -2.6387 Soluble
213 P B -1.6954 Soluble
214 S B -1.9120 Soluble
215 N B -2.2405 Soluble
216 T B -2.2505 Soluble
217 K B -2.6305 Soluble
218 V B -1.4059 Soluble
219 D B -1.9407 Soluble
220 K B -1.8685 Soluble
221 R B -2.8894 Soluble
222 V B 0.0000 Buried
223 E B -1.9902 Soluble
224 S B -0.9000 Soluble
1 E A -1.8747 Soluble
2 T A 0.0000 Buried
3 V A 0.6192 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.8111 Soluble
6 Q A 0.0000 Buried
7 S A -0.8303 Soluble
8 P A -0.4708 Soluble
9 G A -0.8696 Soluble
10 T A -0.4234 Soluble
11 L A -0.1778 Soluble
12 S A -0.4051 Soluble
13 L A -0.8395 Soluble
14 S A -1.3573 Soluble
15 P A -1.8003 Soluble
16 G A -2.2383 Soluble
17 E A -2.7775 Soluble
18 R A -3.1116 Soluble
19 A A 0.0000 Buried
20 T A -0.6453 Soluble
21 L A 0.0000 Buried
22 S A -0.8920 Soluble
23 C A 0.0000 Buried
24 R A -2.2795 Soluble
25 A A 0.0000 Buried
26 S A -0.8868 Soluble
27 Q A -1.3775 Soluble
28 S A -1.3171 Soluble
29 L A 0.0000 Buried
30 G A -0.4397 Soluble
36 S A -0.4758 Soluble
37 S A -0.0977 Soluble
38 Y A 0.2861 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 -1.8268 Soluble
46 P A -1.3417 Soluble
47 G A -1.4923 Soluble
48 Q A -2.0768 Soluble
49 A A -1.2600 Soluble
50 P A 0.0000 Buried
51 R A -1.1727 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.2337 Aggregation-prone
56 G A 0.0000 Buried
57 A A -0.3166 Soluble
65 S A -0.6216 Soluble
66 S A -0.6335 Soluble
67 R A -1.4240 Soluble
68 A A 0.0000 Buried
69 P A -0.7424 Soluble
70 G A -0.8833 Soluble
71 I A -0.9597 Soluble
72 P A -1.2283 Soluble
74 D A -2.3481 Soluble
75 R A -1.9123 Soluble
76 F A 0.0000 Buried
77 S A -0.9027 Soluble
78 G A 0.0000 Buried
79 S A -0.6509 Soluble
80 G A -0.9860 Soluble
83 S A -0.8956 Soluble
84 G A -1.1743 Soluble
85 T A -1.7982 Soluble
86 D A -2.2538 Soluble
87 F A 0.0000 Buried
88 T A -0.7660 Soluble
89 L A 0.0000 Buried
90 T A -0.8327 Soluble
91 I A 0.0000 Buried
92 S A -2.5688 Soluble
93 R A -3.3630 Soluble
94 L A 0.0000 Buried
95 E A -1.8615 Soluble
96 P A -1.5730 Soluble
97 E A -2.2158 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 A A 0.0000 Buried
101 V A -0.1089 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 -0.8489 Soluble
109 D A -2.1093 Soluble
114 S A -1.4555 Soluble
115 P A -1.5561 Soluble
116 I A 0.0000 Buried
117 T A -0.4105 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.3978 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 R A -0.6242 Soluble
124 L A 0.0000 Buried
125 E A 0.0000 Buried
126 I A -0.4994 Soluble
127 K A -0.9924 Soluble
128 R A -0.5498 Soluble
129 T A 0.3914 Aggregation-prone
130 V A 1.1687 Aggregation-prone
131 A A 0.5128 Aggregation-prone
132 A A 0.1556 Aggregation-prone
133 P A 0.0000 Buried
134 S A -0.1310 Soluble
135 V A 0.0000 Buried
136 F A -0.0057 Soluble
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.7283 Soluble
140 P A 0.0000 Buried
141 S A 0.0000 Buried
142 D A -3.2510 Soluble
143 E A -3.1148 Soluble
144 Q A 0.0000 Buried
145 L A -2.0467 Soluble
146 K A -2.8425 Soluble
147 S A -1.8686 Soluble
148 G A -1.0426 Soluble
149 T A -0.6696 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 -0.2186 Soluble
158 N A -0.3943 Soluble
159 F A 0.0000 Buried
160 Y A -0.6887 Soluble
161 P A -1.2619 Soluble
162 R A -2.1222 Soluble
163 E A -2.9981 Soluble
164 A A -2.2993 Soluble
165 K A -2.5032 Soluble
166 V A -1.1769 Soluble
167 Q A -0.7984 Soluble
168 W A 0.0000 Buried
169 K A -0.5655 Soluble
170 V A -0.8868 Soluble
171 D A -1.2596 Soluble
172 N A -1.2816 Soluble
173 A A -0.0748 Soluble
174 L A 0.8367 Aggregation-prone
175 Q A -0.0431 Soluble
176 S A -0.3625 Soluble
177 G A -0.9055 Soluble
178 N A -1.0344 Soluble
179 S A -1.0892 Soluble
180 Q A -1.0899 Soluble
181 E A -1.0715 Soluble
182 S A -0.3754 Soluble
183 V A -0.2860 Soluble
184 T A -0.7245 Soluble
185 E A -1.3776 Soluble
186 Q A -1.3593 Soluble
187 D A -1.7242 Soluble
188 S A -1.6688 Soluble
189 K A -2.2582 Soluble
190 D A -1.6752 Soluble
191 S A -1.3770 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 -0.5772 Soluble
199 L A 0.0000 Buried
200 T A -0.3061 Soluble
201 L A 0.0000 Buried
202 S A -1.0213 Soluble
203 K A -2.0347 Soluble
204 A A -1.8365 Soluble
205 D A -2.8343 Soluble
206 Y A 0.0000 Buried
207 E A -3.7216 Soluble
208 K A -3.6184 Soluble
209 H A -2.8205 Soluble
210 K A -3.1145 Soluble
211 V A -1.3723 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -1.0662 Soluble
216 V A 0.0000 Buried
217 T A -1.1688 Soluble
218 H A -1.6189 Soluble
219 Q A -1.5309 Soluble
220 G A -0.0696 Soluble
221 L A 0.8416 Aggregation-prone
222 S A 0.1068 Aggregation-prone
223 S A -0.0729 Soluble
224 P A -0.2149 Soluble
225 V A -0.1038 Soluble
226 T A -0.7937 Soluble
227 K A -1.3628 Soluble
228 S A -0.8726 Soluble
229 F A -1.0679 Soluble
230 N A -2.2765 Soluble
231 R A -2.6724 Soluble
232 G A -1.9300 Soluble
233 E A -2.1650 Soluble
234 C A -0.4238 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 -0.7088 3.9751 CSV PDB
4.5 -0.7546 3.812 CSV PDB
5.0 -0.8094 3.6175 CSV PDB
5.5 -0.8622 3.4103 CSV PDB
6.0 -0.9011 3.1986 CSV PDB
6.5 -0.9165 2.9858 CSV PDB
7.0 -0.9082 2.7731 CSV PDB
7.5 -0.8841 2.6955 CSV PDB
8.0 -0.8519 2.6955 CSV PDB
8.5 -0.8144 2.6955 CSV PDB
9.0 -0.7714 2.6955 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH