Fresolimumab / 3eo1

A4DAB120_3eo1_K_J | Source PDB: 3eo1 | Chains: K, J | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6711
Max Score
2.5375
Min Score
-3.337
Total Score
-289.25
Score CDR
0.1854
Score non-CDR
-0.7785

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) K (Heavy), J (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 -3.337
Maximum Score 2.5375
Average Score -0.6711
Total Score -289.2523

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

Index Residue Chain A4D Score Classification
1 Q K -1.0245 Soluble
2 V K -0.0909 Soluble
3 Q K -1.2401 Soluble
4 L K 0.0000 Buried
5 V K -0.3929 Soluble
6 Q K 0.0000 Buried
7 S K -0.8010 Soluble
8 G K -0.8081 Soluble
9 A K -0.5643 Soluble
11 E K -1.4665 Soluble
12 V K -0.8935 Soluble
13 K K -1.8423 Soluble
14 K K -2.5230 Soluble
15 P K -2.1701 Soluble
16 G K -1.6615 Soluble
17 S K -1.3696 Soluble
18 S K -1.3611 Soluble
19 V K 0.0000 Buried
20 K K -2.1208 Soluble
21 V K 0.0000 Buried
22 S K -0.5752 Soluble
23 C K 0.0000 Buried
24 K K -1.0050 Soluble
25 A K 0.0000 Buried
26 S K -0.5633 Soluble
27 G K -0.0419 Soluble
28 Y K 1.1267 Aggregation-prone
29 T K 0.3419 Aggregation-prone
30 F K 0.0000 Buried
35 S K 0.3214 Aggregation-prone
36 S K -0.0023 Soluble
37 N K -0.0099 Soluble
38 V K 0.0000 Buried
39 I K 0.0000 Buried
40 S K 0.0000 Buried
41 W K 0.0000 Buried
42 V K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.5506 Soluble
45 A K -1.0366 Soluble
46 P K -1.0490 Soluble
47 G K -1.2566 Soluble
48 Q K -1.8474 Soluble
49 G K -1.2977 Soluble
50 L K 0.0000 Buried
51 E K -0.6583 Soluble
52 W K 0.0000 Buried
53 M K 0.0000 Buried
54 G K 0.0000 Buried
55 G K 0.0000 Buried
56 V K 0.0000 Buried
57 I K 1.3105 Aggregation-prone
58 P K 0.0000 Buried
59 I K 2.1751 Aggregation-prone
62 V K 2.5375 Aggregation-prone
63 D K 0.5762 Aggregation-prone
64 I K 1.8345 Aggregation-prone
65 A K 0.3688 Aggregation-prone
66 N K -1.0521 Soluble
67 Y K -1.2231 Soluble
68 A K 0.0000 Buried
69 Q K -3.1099 Soluble
70 R K -2.9823 Soluble
71 F K 0.0000 Buried
72 K K -3.0512 Soluble
74 G K -1.8230 Soluble
75 R K -1.3657 Soluble
76 V K 0.0000 Buried
77 T K -0.9175 Soluble
78 I K 0.0000 Buried
79 T K -0.1948 Soluble
80 A K -0.2091 Soluble
81 D K -1.3470 Soluble
82 E K -1.7950 Soluble
83 S K -1.2772 Soluble
84 T K -1.1372 Soluble
85 S K -1.2493 Soluble
86 T K 0.0000 Buried
87 T K 0.0000 Buried
88 Y K -0.4961 Soluble
89 M K 0.0000 Buried
90 E K -1.3585 Soluble
91 L K 0.0000 Buried
92 S K -1.1638 Soluble
93 S K -1.2403 Soluble
94 L K 0.0000 Buried
95 R K -2.7934 Soluble
96 S K -2.3470 Soluble
97 E K -2.5151 Soluble
98 D K 0.0000 Buried
99 T K -1.0848 Soluble
100 A K 0.0000 Buried
101 V K 0.2992 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 S K 0.0000 Buried
107 T K 0.0000 Buried
108 L K 0.9866 Aggregation-prone
109 G K 0.6902 Aggregation-prone
110 L K 1.8459 Aggregation-prone
111 V K 1.4408 Aggregation-prone
112 L K 0.8512 Aggregation-prone
113 D K 0.0000 Buried
114 A K 0.0000 Buried
115 M K 0.0000 Buried
116 D K -0.0521 Soluble
117 Y K -0.0291 Soluble
118 W K 0.0000 Buried
119 G K 0.0000 Buried
120 Q K -1.3990 Soluble
121 G K -0.6589 Soluble
122 T K 0.0000 Buried
123 L K -0.0412 Soluble
124 V K 0.0000 Buried
125 T K 0.0000 Buried
126 V K 0.0000 Buried
127 S K -1.4267 Soluble
128 S K -0.9258 Soluble
129 A K -0.7951 Soluble
130 S K -0.9268 Soluble
131 T K -0.9641 Soluble
132 K K -1.8010 Soluble
133 G K -1.2157 Soluble
134 P K -0.8830 Soluble
135 S K -0.5719 Soluble
136 V K 0.0000 Buried
137 F K -0.7877 Soluble
138 P K -1.1996 Soluble
139 L K 0.0000 Buried
140 A K -0.6168 Soluble
141 P K -0.1295 Soluble
142 C K 0.1329 Aggregation-prone
143 S K -1.0523 Soluble
144 E K -2.0501 Soluble
145 S K -1.2656 Soluble
146 T K -0.6605 Soluble
147 A K -0.5077 Soluble
148 A K 0.0000 Buried
149 L K 0.0000 Buried
150 G K 0.0000 Buried
151 C K 0.0000 Buried
152 L K 0.0000 Buried
153 V K 0.0000 Buried
154 K K -0.4571 Soluble
155 D K -0.7782 Soluble
156 Y K 0.0000 Buried
157 F K 0.0000 Buried
158 P K 0.0000 Buried
159 E K -0.4934 Soluble
160 P K -0.7223 Soluble
161 V K -0.7553 Soluble
162 T K -0.7800 Soluble
163 V K 0.0000 Buried
164 S K -0.5790 Soluble
165 W K 0.0000 Buried
166 N K -0.8459 Soluble
167 S K -0.6944 Soluble
168 G K -0.5924 Soluble
169 A K -0.2393 Soluble
170 L K -0.0623 Soluble
171 T K -0.1483 Soluble
172 S K -0.3817 Soluble
173 G K -0.2841 Soluble
174 V K 0.0927 Aggregation-prone
175 H K -0.3194 Soluble
176 T K -0.2282 Soluble
177 F K 0.0000 Buried
178 P K -0.3730 Soluble
179 A K 0.0833 Aggregation-prone
180 V K 0.4658 Aggregation-prone
181 L K 0.8673 Aggregation-prone
182 Q K 0.0260 Aggregation-prone
183 S K -0.1896 Soluble
184 S K -0.3160 Soluble
185 G K -0.1439 Soluble
186 L K 0.0000 Buried
187 Y K 0.0854 Aggregation-prone
188 S K 0.0000 Buried
189 L K 0.0000 Buried
190 S K 0.0000 Buried
191 S K 0.0000 Buried
192 V K 0.0000 Buried
193 V K 0.0000 Buried
194 T K -0.1241 Soluble
195 V K 0.0000 Buried
196 P K -0.1946 Soluble
197 S K -0.4930 Soluble
198 S K -0.3916 Soluble
199 S K -0.4824 Soluble
200 L K -0.3572 Soluble
201 G K -1.0689 Soluble
202 T K -0.9453 Soluble
203 K K -1.7559 Soluble
204 T K -1.4393 Soluble
205 Y K 0.0000 Buried
206 T K -1.3580 Soluble
207 C K 0.0000 Buried
208 N K -1.5593 Soluble
209 V K 0.0000 Buried
210 D K -2.1283 Soluble
211 H K 0.0000 Buried
212 K K -2.5670 Soluble
213 P K -1.6422 Soluble
214 S K -1.9106 Soluble
215 N K -2.4290 Soluble
216 T K -2.1345 Soluble
217 K K -2.6065 Soluble
218 V K -1.3562 Soluble
219 D K -2.1983 Soluble
220 K K -1.6860 Soluble
221 R K -2.1447 Soluble
222 V K 0.0000 Buried
223 E K -1.9353 Soluble
224 S K -0.8362 Soluble
1 E J -1.7041 Soluble
2 T J 0.0000 Buried
3 V J 0.6879 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.8505 Soluble
6 Q J 0.0000 Buried
7 S J -0.9167 Soluble
8 P J -0.5401 Soluble
9 G J -0.9349 Soluble
10 T J -0.4990 Soluble
11 L J -0.2141 Soluble
12 S J -0.3116 Soluble
13 L J -0.6449 Soluble
14 S J -1.1982 Soluble
15 P J -1.7322 Soluble
16 G J -2.2168 Soluble
17 E J -2.4819 Soluble
18 R J -2.9810 Soluble
19 A J 0.0000 Buried
20 T J -0.6051 Soluble
21 L J 0.0000 Buried
22 S J -0.8327 Soluble
23 C J 0.0000 Buried
24 R J -2.2732 Soluble
25 A J 0.0000 Buried
26 S J -0.8853 Soluble
27 Q J -1.3867 Soluble
28 S J -1.2556 Soluble
29 L J 0.0000 Buried
30 G J -0.8396 Soluble
36 S J -0.4615 Soluble
37 S J -0.1009 Soluble
38 Y J 0.4098 Aggregation-prone
39 L J 0.0000 Buried
40 A J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J -0.7247 Soluble
44 Q J -1.0839 Soluble
45 K J -1.4907 Soluble
46 P J -1.2807 Soluble
47 G J -1.4815 Soluble
48 Q J -2.1091 Soluble
49 A J -1.3435 Soluble
50 P J 0.0000 Buried
51 R J -1.3409 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.3295 Aggregation-prone
56 G J 0.0000 Buried
57 A J -0.2850 Soluble
65 S J -0.5684 Soluble
66 S J -0.6073 Soluble
67 R J -1.2241 Soluble
68 A J 0.0000 Buried
69 P J -0.6420 Soluble
70 G J -0.7949 Soluble
71 I J -0.6824 Soluble
72 P J -1.1656 Soluble
74 D J -2.2976 Soluble
75 R J -1.9421 Soluble
76 F J 0.0000 Buried
77 S J -0.8331 Soluble
78 G J 0.0000 Buried
79 S J -0.6099 Soluble
80 G J -1.1442 Soluble
83 S J -1.1179 Soluble
84 G J -1.2238 Soluble
85 T J -1.7366 Soluble
86 D J -1.9498 Soluble
87 F J 0.0000 Buried
88 T J -0.7288 Soluble
89 L J 0.0000 Buried
90 T J -0.7560 Soluble
91 I J 0.0000 Buried
92 S J -2.4675 Soluble
93 R J -3.3370 Soluble
94 L J 0.0000 Buried
95 E J -2.2556 Soluble
96 P J -1.6334 Soluble
97 E J -2.1526 Soluble
98 D J 0.0000 Buried
99 F J -0.5025 Soluble
100 A J 0.0000 Buried
101 V J -0.1707 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 Y J 0.0000 Buried
108 A J -0.1014 Soluble
109 D J -0.6676 Soluble
114 S J -0.8390 Soluble
115 P J -1.1612 Soluble
116 I J 0.0000 Buried
117 T J -0.1172 Soluble
118 F J 0.1166 Aggregation-prone
119 G J 0.0000 Buried
120 Q J -1.2671 Soluble
121 G J -1.0377 Soluble
122 T J 0.0000 Buried
123 R J -0.5357 Soluble
124 L J 0.0000 Buried
125 E J 0.0000 Buried
126 I J -0.4540 Soluble
127 K J -0.9787 Soluble
128 R J -0.7518 Soluble
129 T J 0.2316 Aggregation-prone
130 V J 1.0736 Aggregation-prone
131 A J 0.3232 Aggregation-prone
132 A J -0.0489 Soluble
133 P J 0.0000 Buried
134 S J -0.1841 Soluble
135 V J 0.0000 Buried
136 F J 0.0404 Aggregation-prone
137 I J 0.1381 Aggregation-prone
138 F J 0.0000 Buried
139 P J -0.6503 Soluble
140 P J 0.0000 Buried
141 S J -1.4820 Soluble
142 D J -2.8341 Soluble
143 E J -2.7882 Soluble
144 Q J 0.0000 Buried
145 L J -2.0240 Soluble
146 K J -2.7581 Soluble
147 S J -1.6816 Soluble
148 G J -1.1616 Soluble
149 T J -1.4025 Soluble
150 A J 0.0000 Buried
151 S J 0.0000 Buried
152 V J 0.0000 Buried
153 V J 0.0000 Buried
154 C J 0.0000 Buried
155 L J 0.0000 Buried
156 L J 0.0000 Buried
157 N J 0.0000 Buried
158 N J -0.7998 Soluble
159 F J 0.0000 Buried
160 Y J 0.0000 Buried
161 P J -1.4939 Soluble
162 R J -2.4394 Soluble
163 E J -3.1508 Soluble
164 A J -2.3915 Soluble
165 K J -2.6110 Soluble
166 V J 0.0000 Buried
167 Q J -1.2737 Soluble
168 W J 0.0000 Buried
169 K J -1.3961 Soluble
170 V J -1.4397 Soluble
171 D J -1.9464 Soluble
172 N J -1.8022 Soluble
173 A J -1.0819 Soluble
174 L J -1.0062 Soluble
175 Q J -1.4589 Soluble
176 S J -1.2238 Soluble
177 G J -1.1877 Soluble
178 N J -1.1334 Soluble
179 S J -1.0970 Soluble
180 Q J -0.8352 Soluble
181 E J -0.9966 Soluble
182 S J -0.2403 Soluble
183 V J -0.2861 Soluble
184 T J -0.8284 Soluble
185 E J -1.5055 Soluble
186 Q J -1.5342 Soluble
187 D J -1.9303 Soluble
188 S J -1.7541 Soluble
189 K J -2.3401 Soluble
190 D J -1.8547 Soluble
191 S J -1.5729 Soluble
192 T J 0.0000 Buried
193 Y J 0.0000 Buried
194 S J 0.0000 Buried
195 L J 0.0000 Buried
196 S J 0.0000 Buried
197 S J 0.0000 Buried
198 T J -0.4204 Soluble
199 L J 0.0000 Buried
200 T J -0.2259 Soluble
201 L J -0.6134 Soluble
202 S J -1.2348 Soluble
203 K J -2.2746 Soluble
204 A J -1.9277 Soluble
205 D J -2.9382 Soluble
206 Y J 0.0000 Buried
207 E J -3.0724 Soluble
208 K J -3.3356 Soluble
209 H J -2.7598 Soluble
210 K J -2.4085 Soluble
211 V J -1.1856 Soluble
212 Y J 0.0000 Buried
213 A J 0.0000 Buried
214 C J 0.0000 Buried
215 E J -1.6726 Soluble
216 V J 0.0000 Buried
217 T J -1.1715 Soluble
218 H J 0.0000 Buried
219 Q J -1.9016 Soluble
220 G J -0.6773 Soluble
221 L J -0.0635 Soluble
222 S J -0.3803 Soluble
223 S J -0.3376 Soluble
224 P J -0.2675 Soluble
225 V J 0.0793 Aggregation-prone
226 T J -0.8537 Soluble
227 K J -1.5062 Soluble
228 S J -0.9731 Soluble
229 F J -0.7963 Soluble
230 N J -2.0238 Soluble
231 R J -2.0264 Soluble
232 G J -1.7914 Soluble
233 E J -1.8146 Soluble
234 C J -0.3531 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
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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 -0.6847 3.793 CSV PDB
4.5 -0.7328 3.5996 CSV PDB
5.0 -0.7894 3.3933 CSV PDB
5.5 -0.8437 3.1824 CSV PDB
6.0 -0.8838 2.9703 CSV PDB
6.5 -0.9007 2.7584 CSV PDB
7.0 -0.8944 2.5485 CSV PDB
7.5 -0.8728 2.423 CSV PDB
8.0 -0.843 2.423 CSV PDB
8.5 -0.8072 2.423 CSV PDB
9.0 -0.7653 2.423 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH