Fresolimumab / 3eo0

A4DAB120_3eo0_D_C | Source PDB: 3eo0 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.65
Max Score
2.4238
Min Score
-3.405
Total Score
-282.73
Score CDR
0.1974
Score non-CDR
-0.7551

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEPETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.405
Maximum Score 2.4238
Average Score -0.65
Total Score -282.7299

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

Index Residue Chain A4D Score Classification
1 Q D -1.2528 Soluble
2 V D -0.3462 Soluble
3 Q D -0.8133 Soluble
4 L D 0.0000 Buried
5 V D 0.1080 Aggregation-prone
6 Q D 0.0000 Buried
7 S D -0.5341 Soluble
8 G D -0.5010 Soluble
9 A D 0.0093 Aggregation-prone
11 E D -0.2622 Soluble
12 V D 0.2046 Aggregation-prone
13 K D -1.2876 Soluble
14 K D -2.3502 Soluble
15 P D -2.0186 Soluble
16 G D -1.6641 Soluble
17 S D -1.2627 Soluble
18 S D -1.3251 Soluble
19 V D 0.0000 Buried
20 K D -2.0967 Soluble
21 V D 0.0000 Buried
22 S D -0.5544 Soluble
23 C D 0.0000 Buried
24 K D -0.8652 Soluble
25 A D -0.6121 Soluble
26 S D -0.5039 Soluble
27 G D -0.5348 Soluble
28 Y D 0.3921 Aggregation-prone
29 T D 0.7933 Aggregation-prone
30 F D 1.7748 Aggregation-prone
35 S D 0.6663 Aggregation-prone
36 S D 0.7196 Aggregation-prone
37 N D 0.8288 Aggregation-prone
38 V D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.5665 Soluble
45 A D -0.9787 Soluble
46 P D -0.7653 Soluble
47 G D -1.2551 Soluble
48 Q D -1.8593 Soluble
49 G D -1.3017 Soluble
50 L D 0.0000 Buried
51 E D -0.7488 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 G D 0.0000 Buried
56 V D 0.0000 Buried
57 I D 1.3420 Aggregation-prone
58 P D 0.5928 Aggregation-prone
59 I D 2.1009 Aggregation-prone
62 V D 2.4238 Aggregation-prone
63 D D 0.5586 Aggregation-prone
64 I D 2.0123 Aggregation-prone
65 A D 0.4745 Aggregation-prone
66 N D -0.7904 Soluble
67 Y D -1.4685 Soluble
68 A D 0.0000 Buried
69 Q D -3.0954 Soluble
70 R D -2.9726 Soluble
71 F D 0.0000 Buried
72 K D -3.0361 Soluble
74 G D -1.8202 Soluble
75 R D -1.5474 Soluble
76 V D 0.0000 Buried
77 T D -1.0406 Soluble
78 I D 0.0000 Buried
79 T D -0.4121 Soluble
80 A D -0.4277 Soluble
81 D D -1.8146 Soluble
82 E D -1.8108 Soluble
83 S D -1.1540 Soluble
84 T D -1.1774 Soluble
85 S D -1.1781 Soluble
86 T D 0.0000 Buried
87 T D 0.0000 Buried
88 Y D -0.5760 Soluble
89 M D 0.0000 Buried
90 E D -1.5931 Soluble
91 L D 0.0000 Buried
92 S D -1.1116 Soluble
93 S D -1.1525 Soluble
94 L D 0.0000 Buried
95 R D -2.8572 Soluble
96 S D -2.2036 Soluble
97 E D -2.4344 Soluble
98 D D 0.0000 Buried
99 T D -0.7227 Soluble
100 A D 0.0000 Buried
101 V D 0.3455 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 S D 0.0000 Buried
107 T D 0.0000 Buried
108 L D 0.9290 Aggregation-prone
109 G D 0.7964 Aggregation-prone
110 L D 1.8222 Aggregation-prone
111 V D 1.0965 Aggregation-prone
112 L D 0.6342 Aggregation-prone
113 D D 0.0000 Buried
114 A D 0.0000 Buried
115 M D 0.0000 Buried
116 D D -0.1010 Soluble
117 Y D 0.4000 Aggregation-prone
118 W D -0.1038 Soluble
119 G D 0.0000 Buried
120 Q D -1.2083 Soluble
121 G D -0.5346 Soluble
122 T D 0.0000 Buried
123 L D 0.5046 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D 0.0000 Buried
128 S D -0.8983 Soluble
129 A D -0.7252 Soluble
130 S D -0.5687 Soluble
131 T D -1.0163 Soluble
132 K D -1.8956 Soluble
133 G D -1.7057 Soluble
134 P D 0.0000 Buried
135 S D -0.5518 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.2965 Soluble
139 L D 0.0000 Buried
140 A D -0.4984 Soluble
141 P D -0.6020 Soluble
142 C D -0.7440 Soluble
143 S D -1.1868 Soluble
144 R D -2.1392 Soluble
145 S D -1.3990 Soluble
146 T D -0.8785 Soluble
147 S D -0.8360 Soluble
148 E D -1.1417 Soluble
149 S D -0.8441 Soluble
150 T D -0.6945 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.7882 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D -0.8057 Soluble
163 E D -0.8471 Soluble
164 P D -0.8412 Soluble
165 V D -0.7060 Soluble
166 T D -0.5166 Soluble
167 V D -0.2893 Soluble
168 S D -0.4020 Soluble
169 W D 0.0000 Buried
170 N D -1.0590 Soluble
171 S D -0.7977 Soluble
172 G D -0.5817 Soluble
173 A D -0.2780 Soluble
174 L D -0.0864 Soluble
175 T D -0.1917 Soluble
176 S D -0.1947 Soluble
177 G D -0.2270 Soluble
178 V D 0.1226 Aggregation-prone
179 H D -0.3452 Soluble
180 T D 0.0163 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.4401 Soluble
183 A D -0.0949 Soluble
184 V D -0.1382 Soluble
185 L D 0.1408 Aggregation-prone
186 Q D -0.2875 Soluble
187 S D -0.2792 Soluble
188 S D -0.3739 Soluble
189 G D -0.4106 Soluble
190 L D -0.3683 Soluble
191 Y D 0.0000 Buried
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1517 Soluble
199 V D 0.0000 Buried
200 P D -0.4471 Soluble
201 S D -0.7962 Soluble
202 S D -0.6362 Soluble
203 S D 0.0000 Buried
204 L D -0.9253 Soluble
205 G D -1.2914 Soluble
206 T D -1.1312 Soluble
207 K D -1.8827 Soluble
208 T D -1.6716 Soluble
209 Y D 0.0000 Buried
210 T D 0.0000 Buried
211 C D 0.0000 Buried
212 N D 0.0000 Buried
213 V D 0.0000 Buried
214 D D -1.7116 Soluble
215 H D 0.0000 Buried
216 K D -2.7256 Soluble
217 P D -1.8133 Soluble
218 S D -2.0238 Soluble
219 N D -2.6102 Soluble
220 T D -2.1004 Soluble
221 K D -2.5157 Soluble
222 V D -1.3486 Soluble
223 D D -2.5830 Soluble
224 K D -2.1713 Soluble
225 R D -2.9019 Soluble
226 V D 0.0000 Buried
227 E D -2.4692 Soluble
228 P D -1.0821 Soluble
1 E C -2.0037 Soluble
2 T C 0.0000 Buried
3 V C 0.6271 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.7803 Soluble
6 Q C 0.0000 Buried
7 S C -0.9149 Soluble
8 P C -0.5216 Soluble
9 G C -0.8796 Soluble
10 T C -0.5118 Soluble
11 L C -0.1941 Soluble
12 S C -0.4750 Soluble
13 L C -0.7316 Soluble
14 S C -1.2869 Soluble
15 P C -1.7639 Soluble
16 G C -2.1072 Soluble
17 E C -2.5425 Soluble
18 R C -3.0810 Soluble
19 A C 0.0000 Buried
20 T C -0.6138 Soluble
21 L C 0.0000 Buried
22 S C -0.9539 Soluble
23 C C 0.0000 Buried
24 R C -2.3649 Soluble
25 A C 0.0000 Buried
26 S C -1.0491 Soluble
27 Q C -1.7416 Soluble
28 S C -1.3114 Soluble
29 L C 0.0000 Buried
30 G C -0.6081 Soluble
36 S C -0.5392 Soluble
37 S C 0.0980 Aggregation-prone
38 Y C 0.6229 Aggregation-prone
39 L C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -1.4114 Soluble
46 P C -1.4422 Soluble
47 G C -1.4386 Soluble
48 Q C -2.0502 Soluble
49 A C -1.2081 Soluble
50 P C 0.0000 Buried
51 R C -1.0792 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.2614 Aggregation-prone
56 G C 0.0615 Aggregation-prone
57 A C 0.0000 Buried
65 S C -0.5520 Soluble
66 S C -0.6822 Soluble
67 R C -1.5239 Soluble
68 A C 0.0000 Buried
69 P C -0.7645 Soluble
70 G C -0.9002 Soluble
71 I C -0.9790 Soluble
72 P C -1.2569 Soluble
74 D C -2.3609 Soluble
75 R C -2.0822 Soluble
76 F C 0.0000 Buried
77 S C -0.9459 Soluble
78 G C -0.5244 Soluble
79 S C -0.7176 Soluble
80 G C -1.1256 Soluble
83 S C -1.0407 Soluble
84 G C -1.2805 Soluble
85 T C -1.8110 Soluble
86 D C -2.2379 Soluble
87 F C 0.0000 Buried
88 T C -0.7888 Soluble
89 L C 0.0000 Buried
90 T C -0.8250 Soluble
91 I C 0.0000 Buried
92 S C -2.3549 Soluble
93 R C -3.4050 Soluble
94 L C 0.0000 Buried
95 E C -2.4191 Soluble
96 P C -1.5270 Soluble
97 E C -2.2288 Soluble
98 D C 0.0000 Buried
99 F C -0.5668 Soluble
100 A C 0.0000 Buried
101 V C -0.2048 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 Y C 0.0000 Buried
108 A C -0.7314 Soluble
109 D C -1.9707 Soluble
114 S C -1.6018 Soluble
115 P C -1.6153 Soluble
116 I C 0.0000 Buried
117 T C -0.3570 Soluble
118 F C 0.0763 Aggregation-prone
119 G C 0.0000 Buried
120 Q C -1.3739 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 R C -0.6566 Soluble
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 I C -0.5793 Soluble
127 K C -1.1795 Soluble
128 R C -1.0015 Soluble
129 T C -0.0517 Soluble
130 V C 0.6413 Aggregation-prone
131 A C 0.1864 Aggregation-prone
132 A C 0.0059 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1520 Soluble
135 V C 0.0000 Buried
136 F C -0.2283 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C 0.0000 Buried
140 P C 0.0000 Buried
141 S C -1.6295 Soluble
142 D C -3.0145 Soluble
143 E C -3.2617 Soluble
144 Q C 0.0000 Buried
145 L C -2.3450 Soluble
146 K C -2.9233 Soluble
147 S C -1.7992 Soluble
148 G C -1.3236 Soluble
149 T C -0.9599 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.6845 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.1097 Soluble
162 R C -1.8738 Soluble
163 E C -2.6717 Soluble
164 A C -2.0313 Soluble
165 K C -2.1622 Soluble
166 V C -0.9993 Soluble
167 Q C -0.5539 Soluble
168 W C 0.0000 Buried
169 K C -0.5872 Soluble
170 V C 0.0000 Buried
171 D C -1.6935 Soluble
172 N C -1.4612 Soluble
173 A C -0.3861 Soluble
174 L C 0.3804 Aggregation-prone
175 Q C -0.3102 Soluble
176 S C -0.5707 Soluble
177 G C -0.9501 Soluble
178 N C -0.8730 Soluble
179 S C -1.3027 Soluble
180 Q C -1.9075 Soluble
181 E C -1.8593 Soluble
182 S C -1.0483 Soluble
183 V C -0.6412 Soluble
184 T C -1.1180 Soluble
185 E C -2.2314 Soluble
186 Q C -1.8331 Soluble
187 D C -2.1299 Soluble
188 S C -1.8241 Soluble
189 K C -2.3213 Soluble
190 D C -1.7906 Soluble
191 S C -1.7572 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.7563 Soluble
199 L C 0.0000 Buried
200 T C -0.4455 Soluble
201 L C -0.5178 Soluble
202 S C -1.0423 Soluble
203 K C -1.8449 Soluble
204 A C -1.5932 Soluble
205 D C -2.1555 Soluble
206 Y C 0.0000 Buried
207 E C -3.0602 Soluble
208 K C -3.2610 Soluble
209 H C -2.4900 Soluble
210 K C -2.3729 Soluble
211 V C -0.7973 Soluble
212 Y C 0.0000 Buried
213 A C -0.5198 Soluble
214 C C 0.0000 Buried
215 E C -0.5622 Soluble
216 V C 0.0000 Buried
217 T C -1.1822 Soluble
218 H C 0.0000 Buried
219 Q C -1.4047 Soluble
220 G C -0.3362 Soluble
221 L C -0.1921 Soluble
222 S C -0.4541 Soluble
223 S C -0.4206 Soluble
224 P C -0.4996 Soluble
225 V C 0.1070 Aggregation-prone
226 T C -0.2998 Soluble
227 K C -0.4325 Soluble
228 S C -0.3963 Soluble
229 F C 0.0000 Buried
230 N C -1.3530 Soluble
231 R C -1.8331 Soluble
232 G C -1.7579 Soluble
233 E C -2.0890 Soluble
234 C C -0.8201 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 -0.632 3.9434 CSV PDB
4.5 -0.6795 3.9434 CSV PDB
5.0 -0.7363 3.9434 CSV PDB
5.5 -0.7922 3.9434 CSV PDB
6.0 -0.8359 3.9434 CSV PDB
6.5 -0.8586 3.9434 CSV PDB
7.0 -0.8587 3.9434 CSV PDB
7.5 -0.8428 3.9434 CSV PDB
8.0 -0.8175 3.9434 CSV PDB
8.5 -0.7854 3.9434 CSV PDB
9.0 -0.7468 3.9433 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH