Fresolimumab / 3eo1

A4DAB120_3eo1_E_D | Source PDB: 3eo1 | Chains: E, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6698
Max Score
2.5381
Min Score
-3.3492
Total Score
-288.7
Score CDR
0.1834
Score non-CDR
-0.7768

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) E (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 -3.3492
Maximum Score 2.5381
Average Score -0.6698
Total Score -288.7008

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

Index Residue Chain A4D Score Classification
1 Q E -1.0247 Soluble
2 V E -0.0907 Soluble
3 Q E -1.2382 Soluble
4 L E 0.0000 Buried
5 V E -0.3868 Soluble
6 Q E 0.0000 Buried
7 S E -0.7969 Soluble
8 G E -0.8057 Soluble
9 A E -0.5627 Soluble
11 E E -1.4676 Soluble
12 V E -0.8995 Soluble
13 K E -1.8445 Soluble
14 K E -2.5245 Soluble
15 P E -2.1721 Soluble
16 G E -1.6626 Soluble
17 S E -1.3695 Soluble
18 S E -1.3596 Soluble
19 V E 0.0000 Buried
20 K E -2.1192 Soluble
21 V E 0.0000 Buried
22 S E -0.5724 Soluble
23 C E 0.0000 Buried
24 K E -0.9981 Soluble
25 A E 0.0000 Buried
26 S E -0.5608 Soluble
27 G E -0.0395 Soluble
28 Y E 1.1275 Aggregation-prone
29 T E 0.3421 Aggregation-prone
30 F E 0.0000 Buried
35 S E 0.3220 Aggregation-prone
36 S E -0.0022 Soluble
37 N E -0.0137 Soluble
38 V E 0.0000 Buried
39 I E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.5499 Soluble
45 A E -1.0360 Soluble
46 P E -1.0485 Soluble
47 G E -1.2562 Soluble
48 Q E -1.8477 Soluble
49 G E -1.2983 Soluble
50 L E 0.0000 Buried
51 E E -0.6571 Soluble
52 W E 0.0000 Buried
53 M E 0.0000 Buried
54 G E 0.0000 Buried
55 G E 0.0000 Buried
56 V E 0.0000 Buried
57 I E 1.3142 Aggregation-prone
58 P E 0.0000 Buried
59 I E 2.1760 Aggregation-prone
62 V E 2.5381 Aggregation-prone
63 D E 0.5772 Aggregation-prone
64 I E 1.8360 Aggregation-prone
65 A E 0.3699 Aggregation-prone
66 N E -1.0520 Soluble
67 Y E -1.2264 Soluble
68 A E 0.0000 Buried
69 Q E -3.1106 Soluble
70 R E -2.9825 Soluble
71 F E 0.0000 Buried
72 K E -3.0518 Soluble
74 G E -1.8227 Soluble
75 R E -1.3640 Soluble
76 V E 0.0000 Buried
77 T E -0.9164 Soluble
78 I E 0.0000 Buried
79 T E -0.1934 Soluble
80 A E -0.2076 Soluble
81 D E -1.3443 Soluble
82 E E -1.7936 Soluble
83 S E -1.2762 Soluble
84 T E -1.1353 Soluble
85 S E -1.2469 Soluble
86 T E 0.0000 Buried
87 T E 0.0000 Buried
88 Y E -0.4940 Soluble
89 M E 0.0000 Buried
90 E E -1.3547 Soluble
91 L E 0.0000 Buried
92 S E -1.1629 Soluble
93 S E -1.2415 Soluble
94 L E 0.0000 Buried
95 R E -2.8016 Soluble
96 S E -2.3511 Soluble
97 E E -2.5179 Soluble
98 D E 0.0000 Buried
99 T E -1.0862 Soluble
100 A E 0.0000 Buried
101 V E 0.3015 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 S E 0.0000 Buried
107 T E 0.0000 Buried
108 L E 0.9646 Aggregation-prone
109 G E 0.6798 Aggregation-prone
110 L E 1.8436 Aggregation-prone
111 V E 1.4462 Aggregation-prone
112 L E 0.8493 Aggregation-prone
113 D E 0.0000 Buried
114 A E 0.0000 Buried
115 M E 0.0000 Buried
116 D E -0.0505 Soluble
117 Y E -0.0308 Soluble
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.3972 Soluble
121 G E -0.6566 Soluble
122 T E 0.0000 Buried
123 L E -0.0379 Soluble
124 V E 0.0000 Buried
125 T E 0.0000 Buried
126 V E 0.0000 Buried
127 S E -1.4283 Soluble
128 S E -0.9262 Soluble
129 A E -0.7961 Soluble
130 S E -0.9276 Soluble
131 T E -0.9650 Soluble
132 K E -1.8023 Soluble
133 G E -1.2233 Soluble
134 P E -0.8928 Soluble
135 S E -0.5428 Soluble
136 V E 0.0000 Buried
137 F E -0.7179 Soluble
138 P E -1.1548 Soluble
139 L E 0.0000 Buried
140 A E -0.6152 Soluble
141 P E -0.1190 Soluble
142 C E 0.1335 Aggregation-prone
143 S E -1.0523 Soluble
144 E E -2.0506 Soluble
145 S E -1.2656 Soluble
146 T E -0.6606 Soluble
147 A E -0.5024 Soluble
148 A E 0.0000 Buried
149 L E 0.0000 Buried
150 G E 0.0000 Buried
151 C E 0.0000 Buried
152 L E 0.0000 Buried
153 V E 0.0000 Buried
154 K E -0.4808 Soluble
155 D E -0.7998 Soluble
156 Y E 0.0000 Buried
157 F E 0.0000 Buried
158 P E 0.0000 Buried
159 E E -0.5140 Soluble
160 P E -0.7326 Soluble
161 V E -0.7665 Soluble
162 T E -0.7827 Soluble
163 V E 0.0000 Buried
164 S E -0.5804 Soluble
165 W E 0.0000 Buried
166 N E -0.8489 Soluble
167 S E -0.6953 Soluble
168 G E -0.5946 Soluble
169 A E -0.2424 Soluble
170 L E -0.0694 Soluble
171 T E -0.1522 Soluble
172 S E -0.3845 Soluble
173 G E -0.2879 Soluble
174 V E 0.0900 Aggregation-prone
175 H E -0.3194 Soluble
176 T E -0.2263 Soluble
177 F E 0.0000 Buried
178 P E -0.3709 Soluble
179 A E 0.0815 Aggregation-prone
180 V E 0.4748 Aggregation-prone
181 L E 0.8693 Aggregation-prone
182 Q E 0.0291 Aggregation-prone
183 S E -0.1905 Soluble
184 S E -0.3191 Soluble
185 G E -0.1490 Soluble
186 L E 0.0000 Buried
187 Y E 0.0594 Aggregation-prone
188 S E -0.0817 Soluble
189 L E 0.0000 Buried
190 S E 0.0000 Buried
191 S E 0.0000 Buried
192 V E 0.0000 Buried
193 V E 0.0000 Buried
194 T E -0.1248 Soluble
195 V E 0.0000 Buried
196 P E -0.1932 Soluble
197 S E -0.4949 Soluble
198 S E -0.3925 Soluble
199 S E -0.4833 Soluble
200 L E -0.3610 Soluble
201 G E -1.0710 Soluble
202 T E -0.9464 Soluble
203 K E -1.7566 Soluble
204 T E -1.4419 Soluble
205 Y E 0.0000 Buried
206 T E -1.3646 Soluble
207 C E 0.0000 Buried
208 N E -1.5619 Soluble
209 V E 0.0000 Buried
210 D E -2.1264 Soluble
211 H E 0.0000 Buried
212 K E -2.5691 Soluble
213 P E -1.6449 Soluble
214 S E -1.9102 Soluble
215 N E -2.4285 Soluble
216 T E -2.1340 Soluble
217 K E -2.6066 Soluble
218 V E -1.3602 Soluble
219 D E -2.2054 Soluble
220 K E -1.7000 Soluble
221 R E -2.1560 Soluble
222 V E 0.0000 Buried
223 E E -1.9368 Soluble
224 S E -0.8360 Soluble
1 E D -1.7040 Soluble
2 T D 0.0000 Buried
3 V D 0.6878 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.8492 Soluble
6 Q D 0.0000 Buried
7 S D -0.9163 Soluble
8 P D -0.5404 Soluble
9 G D -0.9106 Soluble
10 T D -0.5024 Soluble
11 L D -0.2037 Soluble
12 S D -0.2899 Soluble
13 L D -0.6128 Soluble
14 S D -1.1796 Soluble
15 P D -1.7357 Soluble
16 G D -2.2219 Soluble
17 E D -2.4706 Soluble
18 R D -2.9790 Soluble
19 A D 0.0000 Buried
20 T D -0.6027 Soluble
21 L D 0.0000 Buried
22 S D -0.8307 Soluble
23 C D 0.0000 Buried
24 R D -2.2694 Soluble
25 A D 0.0000 Buried
26 S D -0.8844 Soluble
27 Q D -1.3877 Soluble
28 S D -1.2589 Soluble
29 L D 0.0000 Buried
30 G D -0.8536 Soluble
36 S D -0.4715 Soluble
37 S D -0.1094 Soluble
38 Y D 0.3914 Aggregation-prone
39 L 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 -0.7302 Soluble
44 Q D -1.0881 Soluble
45 K D -1.4894 Soluble
46 P D -1.2777 Soluble
47 G D -1.4808 Soluble
48 Q D -2.1106 Soluble
49 A D -1.3471 Soluble
50 P D 0.0000 Buried
51 R D -1.3546 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.3325 Aggregation-prone
56 G D 0.0000 Buried
57 A D -0.2880 Soluble
65 S D -0.5722 Soluble
66 S D -0.6144 Soluble
67 R D -1.2412 Soluble
68 A D 0.0000 Buried
69 P D -0.6442 Soluble
70 G D -0.7942 Soluble
71 I D -0.6810 Soluble
72 P D -1.1546 Soluble
74 D D -2.2988 Soluble
75 R D -1.9563 Soluble
76 F D 0.0000 Buried
77 S D -0.8398 Soluble
78 G D 0.0000 Buried
79 S D -0.6093 Soluble
80 G D -1.1439 Soluble
83 S D -1.1210 Soluble
84 G D -1.2263 Soluble
85 T D -1.7336 Soluble
86 D D -1.9420 Soluble
87 F D 0.0000 Buried
88 T D -0.7270 Soluble
89 L D 0.0000 Buried
90 T D -0.7587 Soluble
91 I D 0.0000 Buried
92 S D -2.4740 Soluble
93 R D -3.3492 Soluble
94 L D 0.0000 Buried
95 E D -2.3058 Soluble
96 P D -1.6582 Soluble
97 E D -2.1666 Soluble
98 D D 0.0000 Buried
99 F D -0.5087 Soluble
100 A D 0.0000 Buried
101 V D -0.2236 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 Y D 0.0000 Buried
108 A D -0.1099 Soluble
109 D D -0.6702 Soluble
114 S D -0.8383 Soluble
115 P D -1.1612 Soluble
116 I D 0.0000 Buried
117 T D -0.1169 Soluble
118 F D 0.1167 Aggregation-prone
119 G D 0.0000 Buried
120 Q D -1.2670 Soluble
121 G D -1.0414 Soluble
122 T D 0.0000 Buried
123 R D -0.5495 Soluble
124 L D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.4288 Soluble
127 K D -0.9162 Soluble
128 R D -0.7250 Soluble
129 T D 0.2360 Aggregation-prone
130 V D 1.0620 Aggregation-prone
131 A D 0.3044 Aggregation-prone
132 A D -0.0672 Soluble
133 P D 0.0000 Buried
134 S D -0.1804 Soluble
135 V D 0.0000 Buried
136 F D 0.1427 Aggregation-prone
137 I D 0.2186 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.6509 Soluble
140 P D 0.0000 Buried
141 S D -1.3758 Soluble
142 D D -2.6682 Soluble
143 E D -2.4506 Soluble
144 Q D 0.0000 Buried
145 L D -1.9149 Soluble
146 K D -2.6399 Soluble
147 S D -1.6162 Soluble
148 G D -1.1612 Soluble
149 T D -1.3634 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 -0.8083 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.5206 Soluble
162 R D -2.4799 Soluble
163 E D -3.1775 Soluble
164 A D -2.4091 Soluble
165 K D -2.6146 Soluble
166 V D 0.0000 Buried
167 Q D -1.2574 Soluble
168 W D 0.0000 Buried
169 K D -1.3653 Soluble
170 V D -1.4515 Soluble
171 D D -1.9625 Soluble
172 N D -1.8060 Soluble
173 A D -1.0796 Soluble
174 L D -1.0015 Soluble
175 Q D -1.4571 Soluble
176 S D -1.2174 Soluble
177 G D -1.1884 Soluble
178 N D -1.1371 Soluble
179 S D -1.0799 Soluble
180 Q D -0.7935 Soluble
181 E D -0.9863 Soluble
182 S D -0.2360 Soluble
183 V D -0.2931 Soluble
184 T D -0.8271 Soluble
185 E D -1.4945 Soluble
186 Q D -1.5372 Soluble
187 D D -1.9351 Soluble
188 S D -1.7565 Soluble
189 K D -2.3421 Soluble
190 D D -1.8581 Soluble
191 S D -1.5653 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 -0.4130 Soluble
199 L D 0.0000 Buried
200 T D -0.2237 Soluble
201 L D -0.6187 Soluble
202 S D -1.2360 Soluble
203 K D -2.2749 Soluble
204 A D -1.9285 Soluble
205 D D -2.9392 Soluble
206 Y D 0.0000 Buried
207 E D -3.0795 Soluble
208 K D -3.3416 Soluble
209 H D -2.7818 Soluble
210 K D -2.4530 Soluble
211 V D -1.2239 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -1.6694 Soluble
216 V D 0.0000 Buried
217 T D -1.2263 Soluble
218 H D 0.0000 Buried
219 Q D -1.9283 Soluble
220 G D -0.7271 Soluble
221 L D -0.0996 Soluble
222 S D -0.4033 Soluble
223 S D -0.3846 Soluble
224 P D -0.3675 Soluble
225 V D -0.0569 Soluble
226 T D -0.8226 Soluble
227 K D -1.2919 Soluble
228 S D -0.8760 Soluble
229 F D -0.7676 Soluble
230 N D -2.0541 Soluble
231 R D -2.0571 Soluble
232 G D -1.8049 Soluble
233 E D -1.8179 Soluble
234 C D -0.3528 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 -0.681 3.8182 CSV PDB
4.5 -0.7288 3.6274 CSV PDB
5.0 -0.7854 3.422 CSV PDB
5.5 -0.84 3.2115 CSV PDB
6.0 -0.8809 2.9995 CSV PDB
6.5 -0.8989 2.7875 CSV PDB
7.0 -0.8936 2.5772 CSV PDB
7.5 -0.8729 2.4188 CSV PDB
8.0 -0.8441 2.4188 CSV PDB
8.5 -0.8094 2.4188 CSV PDB
9.0 -0.7687 2.4188 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH