Fresolimumab / 3eo1

A4DAB120_3eo1_H_G | Source PDB: 3eo1 | Chains: H, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6484
Max Score
2.5568
Min Score
-3.582
Total Score
-279.48
Score CDR
0.1386
Score non-CDR
-0.7471

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) H (Heavy), G (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 -3.582
Maximum Score 2.5568
Average Score -0.6484
Total Score -279.4817

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

Index Residue Chain A4D Score Classification
1 Q H -1.3408 Soluble
2 V H -0.7085 Soluble
3 Q H -1.5566 Soluble
4 L H 0.0000 Buried
5 V H -0.4429 Soluble
6 Q H 0.0000 Buried
7 S H -0.8481 Soluble
8 G H -0.6947 Soluble
9 A H -0.3259 Soluble
11 E H -0.8876 Soluble
12 V H -0.3430 Soluble
13 K H -1.4776 Soluble
14 K H -2.3732 Soluble
15 P H -2.2323 Soluble
16 G H -1.6938 Soluble
17 S H -1.3317 Soluble
18 S H -1.4643 Soluble
19 V H 0.0000 Buried
20 K H -2.0737 Soluble
21 V H 0.0000 Buried
22 S H -0.7614 Soluble
23 C H 0.0000 Buried
24 K H -1.6262 Soluble
25 A H -1.0740 Soluble
26 S H -0.6092 Soluble
27 G H -0.4002 Soluble
28 Y H 1.0755 Aggregation-prone
29 T H 0.1200 Aggregation-prone
30 F H 0.0000 Buried
35 S H 0.2611 Aggregation-prone
36 S H 0.0600 Aggregation-prone
37 N H 0.4612 Aggregation-prone
38 V H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.5039 Soluble
45 A H -0.9592 Soluble
46 P H -1.0239 Soluble
47 G H -1.2245 Soluble
48 Q H -1.8670 Soluble
49 G H -1.3764 Soluble
50 L H 0.0000 Buried
51 E H -0.8255 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 V H 0.0000 Buried
57 I H 1.5406 Aggregation-prone
58 P H 0.0000 Buried
59 I H 2.1263 Aggregation-prone
62 V H 2.5568 Aggregation-prone
63 D H 0.7488 Aggregation-prone
64 I H 1.8104 Aggregation-prone
65 A H 0.4516 Aggregation-prone
66 N H -0.9310 Soluble
67 Y H -1.6419 Soluble
68 A H 0.0000 Buried
69 Q H -3.1504 Soluble
70 R H -3.0593 Soluble
71 F H 0.0000 Buried
72 K H -3.1187 Soluble
74 G H -1.9537 Soluble
75 R H -1.4453 Soluble
76 V H 0.0000 Buried
77 T H -0.9288 Soluble
78 I H 0.0000 Buried
79 T H -0.1876 Soluble
80 A H -0.3209 Soluble
81 D H -1.5253 Soluble
82 E H -1.6575 Soluble
83 S H -1.2811 Soluble
84 T H -1.2089 Soluble
85 S H -1.4435 Soluble
86 T H -1.2478 Soluble
87 T H 0.0000 Buried
88 Y H -0.6801 Soluble
89 M H 0.0000 Buried
90 E H -1.4084 Soluble
91 L H 0.0000 Buried
92 S H -1.2140 Soluble
93 S H -1.2804 Soluble
94 L H 0.0000 Buried
95 R H -3.1115 Soluble
96 S H -2.4202 Soluble
97 E H -2.5946 Soluble
98 D H 0.0000 Buried
99 T H -1.0320 Soluble
100 A H 0.0000 Buried
101 V H 0.3295 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 S H 0.0000 Buried
107 T H 0.0000 Buried
108 L H 0.9760 Aggregation-prone
109 G H 0.7934 Aggregation-prone
110 L H 2.1503 Aggregation-prone
111 V H 1.9029 Aggregation-prone
112 L H 1.1223 Aggregation-prone
113 D H 0.0000 Buried
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.1599 Soluble
117 Y H -0.0373 Soluble
118 W H -0.1937 Soluble
119 G H 0.0000 Buried
120 Q H -1.3604 Soluble
121 G H -0.6154 Soluble
122 T H 0.0000 Buried
123 L H 0.0653 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2172 Soluble
128 S H -0.9134 Soluble
129 A H -0.8297 Soluble
130 S H -0.9035 Soluble
131 T H -1.0271 Soluble
132 K H -1.9228 Soluble
133 G H -1.3338 Soluble
134 P H -0.8817 Soluble
135 S H -0.5515 Soluble
136 V H 0.0000 Buried
137 F H -0.8539 Soluble
138 P H -1.4853 Soluble
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.0000 Buried
142 C H 0.3010 Aggregation-prone
143 S H -1.1598 Soluble
144 E H -2.0188 Soluble
145 S H -1.2890 Soluble
146 T H -0.9111 Soluble
147 A H -0.3518 Soluble
148 A H 0.0000 Buried
149 L H -0.1524 Soluble
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.6122 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H 0.0000 Buried
159 E H -0.6341 Soluble
160 P H -0.8491 Soluble
161 V H -0.7224 Soluble
162 T H -0.6958 Soluble
163 V H 0.0000 Buried
164 S H -0.5988 Soluble
165 W H 0.0000 Buried
166 N H -0.7473 Soluble
167 S H -0.6282 Soluble
168 G H -0.5846 Soluble
169 A H -0.1472 Soluble
170 L H 0.2113 Aggregation-prone
171 T H -0.0213 Soluble
172 S H -0.2554 Soluble
173 G H -0.0432 Soluble
174 V H 0.2485 Aggregation-prone
175 H H 0.0000 Buried
176 T H 0.0056 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.0847 Soluble
179 A H 0.2157 Aggregation-prone
180 V H 0.4763 Aggregation-prone
181 L H 0.9101 Aggregation-prone
182 Q H 0.1135 Aggregation-prone
183 S H -0.1351 Soluble
184 S H -0.2761 Soluble
185 G H -0.0941 Soluble
186 L H -0.1984 Soluble
187 Y H 0.0000 Buried
188 S H 0.0237 Aggregation-prone
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H 0.0499 Aggregation-prone
195 V H 0.0345 Aggregation-prone
196 P H -0.4101 Soluble
197 S H -0.4600 Soluble
198 S H -0.1133 Soluble
199 S H 0.1181 Aggregation-prone
200 L H 0.5677 Aggregation-prone
201 G H -0.3377 Soluble
202 T H -0.6314 Soluble
203 K H -1.8292 Soluble
204 T H -1.1137 Soluble
205 Y H -1.3431 Soluble
206 T H -1.3320 Soluble
207 C H 0.0000 Buried
208 N H -1.5101 Soluble
209 V H 0.0000 Buried
210 D H -2.2936 Soluble
211 H H 0.0000 Buried
212 K H -2.6476 Soluble
213 P H -1.7067 Soluble
214 S H -1.9108 Soluble
215 N H -2.2390 Soluble
216 T H -2.2475 Soluble
217 K H -2.6274 Soluble
218 V H -1.3900 Soluble
219 D H -1.9119 Soluble
220 K H -1.8053 Soluble
221 R H -2.8572 Soluble
222 V H 0.0000 Buried
223 E H -1.9881 Soluble
224 S H -0.8985 Soluble
1 E G -1.8822 Soluble
2 T G 0.0000 Buried
3 V G 0.6119 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.8364 Soluble
6 Q G 0.0000 Buried
7 S G -0.8818 Soluble
8 P G -0.4996 Soluble
9 G G -0.8814 Soluble
10 T G -0.4208 Soluble
11 L G -0.1799 Soluble
12 S G -0.4087 Soluble
13 L G -0.8597 Soluble
14 S G -1.3759 Soluble
15 P G -1.8096 Soluble
16 G G -2.2510 Soluble
17 E G -2.8182 Soluble
18 R G -3.1336 Soluble
19 A G 0.0000 Buried
20 T G -0.6689 Soluble
21 L G 0.0000 Buried
22 S G -0.9398 Soluble
23 C G 0.0000 Buried
24 R G -2.2835 Soluble
25 A G 0.0000 Buried
26 S G -0.8932 Soluble
27 Q G -1.3973 Soluble
28 S G -1.3185 Soluble
29 L G 0.0000 Buried
30 G G -0.4463 Soluble
36 S G -0.4809 Soluble
37 S G -0.1099 Soluble
38 Y G 0.2836 Aggregation-prone
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.8436 Soluble
46 P G -1.3546 Soluble
47 G G -1.5030 Soluble
48 Q G -2.0844 Soluble
49 A G -1.2636 Soluble
50 P G 0.0000 Buried
51 R G -1.1731 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.2188 Aggregation-prone
56 G G 0.0000 Buried
57 A G -0.3303 Soluble
65 S G -0.6390 Soluble
66 S G -0.6599 Soluble
67 R G -1.4734 Soluble
68 A G 0.0000 Buried
69 P G -0.7542 Soluble
70 G G -0.8910 Soluble
71 I G -0.9725 Soluble
72 P G -1.2365 Soluble
74 D G -2.3564 Soluble
75 R G -1.9113 Soluble
76 F G 0.0000 Buried
77 S G -0.9160 Soluble
78 G G 0.0000 Buried
79 S G -0.6564 Soluble
80 G G -0.9831 Soluble
83 S G -0.8857 Soluble
84 G G -1.1644 Soluble
85 T G -1.7706 Soluble
86 D G -2.2226 Soluble
87 F G 0.0000 Buried
88 T G -0.7862 Soluble
89 L G 0.0000 Buried
90 T G -0.8429 Soluble
91 I G 0.0000 Buried
92 S G -2.5779 Soluble
93 R G -3.3712 Soluble
94 L G 0.0000 Buried
95 E G -1.8524 Soluble
96 P G -1.5651 Soluble
97 E G -2.2122 Soluble
98 D G 0.0000 Buried
99 F G 0.0000 Buried
100 A G 0.0000 Buried
101 V G -0.1122 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 Y G 0.0000 Buried
108 A G -0.8584 Soluble
109 D G -2.1263 Soluble
114 S G -1.4881 Soluble
115 P G -1.5740 Soluble
116 I G 0.0000 Buried
117 T G -0.4196 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.4035 Soluble
121 G G 0.0000 Buried
122 T G 0.0000 Buried
123 R G -0.6020 Soluble
124 L G 0.0000 Buried
125 E G 0.0000 Buried
126 I G -0.5070 Soluble
127 K G -1.0155 Soluble
128 R G -0.5619 Soluble
129 T G 0.3841 Aggregation-prone
130 V G 1.1655 Aggregation-prone
131 A G 0.5117 Aggregation-prone
132 A G 0.1520 Aggregation-prone
133 P G 0.0000 Buried
134 S G -0.1410 Soluble
135 V G 0.0000 Buried
136 F G 0.0148 Aggregation-prone
137 I G 0.0000 Buried
138 F G 0.0000 Buried
139 P G -0.7029 Soluble
140 P G 0.0000 Buried
141 S G 0.0000 Buried
142 D G -3.2548 Soluble
143 E G -3.1177 Soluble
144 Q G 0.0000 Buried
145 L G -2.0657 Soluble
146 K G -2.8572 Soluble
147 S G -1.8854 Soluble
148 G G -1.0097 Soluble
149 T G -0.5825 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G -0.2198 Soluble
158 N G -0.3881 Soluble
159 F G 0.0000 Buried
160 Y G -0.6878 Soluble
161 P G -1.2605 Soluble
162 R G -2.1063 Soluble
163 E G -2.9910 Soluble
164 A G -2.2950 Soluble
165 K G -2.4951 Soluble
166 V G -1.1708 Soluble
167 Q G -0.7671 Soluble
168 W G 0.0000 Buried
169 K G -0.5876 Soluble
170 V G -0.9490 Soluble
171 D G -1.6189 Soluble
172 N G -1.4423 Soluble
173 A G -0.1673 Soluble
174 L G 0.7785 Aggregation-prone
175 Q G -0.0444 Soluble
176 S G -0.3470 Soluble
177 G G -0.8723 Soluble
178 N G -0.8759 Soluble
179 S G -1.0446 Soluble
180 Q G -1.1689 Soluble
181 E G -1.1291 Soluble
182 S G -0.4196 Soluble
183 V G -0.2742 Soluble
184 T G -0.6868 Soluble
185 E G -1.3129 Soluble
186 Q G -1.3218 Soluble
187 D G -1.6905 Soluble
188 S G -1.6467 Soluble
189 K G -2.2398 Soluble
190 D G -1.6389 Soluble
191 S G -1.3546 Soluble
192 T G 0.0000 Buried
193 Y G 0.0000 Buried
194 S G 0.0000 Buried
195 L G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -0.5456 Soluble
199 L G 0.0000 Buried
200 T G -0.1016 Soluble
201 L G -0.0714 Soluble
202 S G -0.7128 Soluble
203 K G -1.8293 Soluble
204 A G -1.5359 Soluble
205 D G -2.2617 Soluble
206 Y G 0.0000 Buried
207 E G -3.5820 Soluble
208 K G -3.4926 Soluble
209 H G -2.8243 Soluble
210 K G -3.0406 Soluble
211 V G -1.2707 Soluble
212 Y G 0.0000 Buried
213 A G 0.0000 Buried
214 C G 0.0000 Buried
215 E G -1.0029 Soluble
216 V G 0.0000 Buried
217 T G -1.1648 Soluble
218 H G -1.6163 Soluble
219 Q G -1.5316 Soluble
220 G G -0.0737 Soluble
221 L G 0.8391 Aggregation-prone
222 S G 0.1027 Aggregation-prone
223 S G -0.0801 Soluble
224 P G -0.2162 Soluble
225 V G -0.0992 Soluble
226 T G -0.7533 Soluble
227 K G -1.3145 Soluble
228 S G -0.7800 Soluble
229 F G -0.9476 Soluble
230 N G -2.1181 Soluble
231 R G -2.4712 Soluble
232 G G -1.8547 Soluble
233 E G -2.1345 Soluble
234 C G -0.4238 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 -0.7089 3.9712 CSV PDB
4.5 -0.7551 3.808 CSV PDB
5.0 -0.8102 3.6135 CSV PDB
5.5 -0.8633 3.4063 CSV PDB
6.0 -0.9025 3.1946 CSV PDB
6.5 -0.9182 2.9818 CSV PDB
7.0 -0.91 2.7691 CSV PDB
7.5 -0.886 2.6925 CSV PDB
8.0 -0.8539 2.6925 CSV PDB
8.5 -0.8164 2.6925 CSV PDB
9.0 -0.7734 2.6925 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH