Fresolimumab / 4kxz

A4DAB120_4kxz_J_I | Source PDB: 4kxz | Chains: J, I | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.666
Max Score
2.3301
Min Score
-3.4962
Total Score
-285.71
Score CDR
0.1942
Score non-CDR
-0.7744

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHTVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) J (Heavy), I (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 -3.4962
Maximum Score 2.3301
Average Score -0.666
Total Score -285.7129

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

Index Residue Chain A4D Score Classification
2 V J 1.4055 Aggregation-prone
3 Q J -0.5072 Soluble
4 L J 0.0000 Buried
5 V J -0.6347 Soluble
6 Q J 0.0000 Buried
7 S J -0.7960 Soluble
8 G J -0.6812 Soluble
9 A J -0.2040 Soluble
11 E J -0.8094 Soluble
12 V J -0.0234 Soluble
13 K J -1.3095 Soluble
14 K J -2.1740 Soluble
15 P J -1.7495 Soluble
16 G J -1.4654 Soluble
17 S J -1.2111 Soluble
18 S J -1.3710 Soluble
19 V J 0.0000 Buried
20 K J -2.1205 Soluble
21 V J 0.0000 Buried
22 S J -0.8621 Soluble
23 C J 0.0000 Buried
24 K J -1.6565 Soluble
25 A J 0.0000 Buried
26 S J -0.0543 Soluble
27 G J -0.0679 Soluble
28 Y J 1.1121 Aggregation-prone
29 T J 0.0000 Buried
30 F J 0.0000 Buried
35 S J 0.7111 Aggregation-prone
36 S J 0.1855 Aggregation-prone
37 N J 0.5244 Aggregation-prone
38 V J 0.0000 Buried
39 I J 0.0000 Buried
40 S J 0.0000 Buried
41 W J 0.0000 Buried
42 V J 0.0000 Buried
43 R J -0.4218 Soluble
44 Q J -0.6690 Soluble
45 A J -1.0185 Soluble
46 P J -1.1122 Soluble
47 G J -1.2242 Soluble
48 Q J -1.8841 Soluble
49 G J -1.3307 Soluble
50 L J 0.0000 Buried
51 E J -0.6278 Soluble
52 W J 0.0000 Buried
53 M J 0.0000 Buried
54 G J 0.0000 Buried
55 G J 0.0000 Buried
56 V J 0.0000 Buried
57 I J 1.6401 Aggregation-prone
58 P J 0.0000 Buried
59 I J 2.1391 Aggregation-prone
62 V J 2.3301 Aggregation-prone
63 D J 0.3789 Aggregation-prone
64 I J 1.9234 Aggregation-prone
65 A J 0.3937 Aggregation-prone
66 N J -0.8442 Soluble
67 Y J -1.5076 Soluble
68 A J 0.0000 Buried
69 Q J -2.7791 Soluble
70 R J -3.0172 Soluble
71 F J 0.0000 Buried
72 K J -3.0782 Soluble
74 G J -2.1238 Soluble
75 R J -1.8458 Soluble
76 V J 0.0000 Buried
77 T J -1.1638 Soluble
78 I J 0.0000 Buried
79 T J -0.4693 Soluble
80 A J -0.3059 Soluble
81 D J -1.6351 Soluble
82 E J -1.8041 Soluble
83 S J -1.3046 Soluble
84 T J -1.1779 Soluble
85 S J -0.9613 Soluble
86 T J 0.0000 Buried
87 T J 0.0000 Buried
88 Y J -0.7209 Soluble
89 M J 0.0000 Buried
90 E J -1.6688 Soluble
91 L J 0.0000 Buried
92 S J -1.1960 Soluble
93 S J -1.1281 Soluble
94 L J 0.0000 Buried
95 R J -2.7460 Soluble
96 S J -2.2029 Soluble
97 E J -2.4684 Soluble
98 D J 0.0000 Buried
99 T J -0.8761 Soluble
100 A J 0.0000 Buried
101 V J 0.2155 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 S J 0.0000 Buried
107 T J 0.0000 Buried
108 L J 0.7905 Aggregation-prone
109 G J 0.6508 Aggregation-prone
110 L J 1.9020 Aggregation-prone
111 V J 1.6299 Aggregation-prone
112 L J 0.7824 Aggregation-prone
113 D J 0.0000 Buried
114 A J 0.0000 Buried
115 M J 0.0000 Buried
116 D J -0.2587 Soluble
117 Y J 0.3241 Aggregation-prone
118 W J -0.1369 Soluble
119 G J 0.0000 Buried
120 Q J -1.3665 Soluble
121 G J -0.6257 Soluble
122 T J 0.0000 Buried
123 L J 0.4965 Aggregation-prone
124 V J 0.0000 Buried
125 T J -0.5776 Soluble
126 V J 0.0000 Buried
127 S J 0.0000 Buried
128 S J -0.9059 Soluble
129 A J -0.5514 Soluble
130 S J -0.5506 Soluble
131 T J -0.7119 Soluble
132 K J -1.1925 Soluble
133 G J -1.3285 Soluble
134 P J -0.5612 Soluble
135 S J -0.2428 Soluble
136 V J -0.2798 Soluble
137 F J 0.0000 Buried
138 P J -1.1463 Soluble
139 L J 0.0000 Buried
140 A J 0.0000 Buried
141 P J -0.3020 Soluble
142 C J -0.0365 Soluble
143 S J -0.2794 Soluble
144 S J -1.0302 Soluble
145 E J -1.8228 Soluble
146 S J -1.1456 Soluble
147 T J -0.7370 Soluble
148 A J -0.4062 Soluble
149 A J 0.0000 Buried
150 L J 0.0000 Buried
151 G J 0.0000 Buried
152 C J 0.0000 Buried
153 L J 0.0000 Buried
154 V J 0.0000 Buried
155 K J 0.0000 Buried
156 D J -0.4587 Soluble
157 Y J 0.0000 Buried
158 F J 0.0000 Buried
159 P J -0.7657 Soluble
160 E J -1.0922 Soluble
161 P J -1.0596 Soluble
162 V J -0.8638 Soluble
163 T J -0.7301 Soluble
164 V J -0.2128 Soluble
165 S J -0.4830 Soluble
166 W J 0.0000 Buried
167 N J -0.9995 Soluble
168 S J -0.7431 Soluble
169 G J -0.4981 Soluble
170 A J -0.2274 Soluble
171 L J -0.0667 Soluble
172 T J -0.1676 Soluble
173 S J -0.1725 Soluble
174 G J -0.1723 Soluble
175 V J 0.1595 Aggregation-prone
176 H J -0.3278 Soluble
177 T J -0.1762 Soluble
178 F J 0.0000 Buried
179 P J -0.4340 Soluble
180 A J -0.0162 Soluble
181 V J 0.2874 Aggregation-prone
182 L J 0.4714 Aggregation-prone
183 Q J -0.0132 Soluble
184 S J -0.2333 Soluble
185 S J -0.3133 Soluble
186 G J -0.1380 Soluble
187 L J -0.1328 Soluble
188 Y J 0.0403 Aggregation-prone
189 S J 0.0000 Buried
190 L J 0.0000 Buried
191 S J 0.0000 Buried
192 S J 0.0000 Buried
193 V J 0.0000 Buried
194 V J 0.0000 Buried
195 T J -0.1140 Soluble
196 V J 0.0000 Buried
197 P J -0.5286 Soluble
198 S J -0.6074 Soluble
199 S J -0.4967 Soluble
200 S J 0.0000 Buried
201 L J -0.5354 Soluble
202 G J -0.9607 Soluble
203 T J -0.9088 Soluble
204 K J -1.5749 Soluble
205 T J -1.3451 Soluble
206 Y J 0.0000 Buried
207 T J 0.0000 Buried
208 C J 0.0000 Buried
209 N J -1.6262 Soluble
210 V J 0.0000 Buried
211 D J -2.1349 Soluble
212 H J 0.0000 Buried
213 K J -2.8583 Soluble
214 P J -1.7148 Soluble
215 S J -1.8303 Soluble
216 N J -2.6195 Soluble
217 T J -2.1263 Soluble
218 K J -2.7838 Soluble
219 V J -1.6857 Soluble
220 D J -2.7064 Soluble
221 K J -2.2988 Soluble
222 R J -2.6908 Soluble
223 V J 0.0000 Buried
224 H J -2.1658 Soluble
225 H J -1.8094 Soluble
226 H J -1.7034 Soluble
2 T I 0.3118 Aggregation-prone
3 V I 1.1654 Aggregation-prone
4 L I 0.0000 Buried
5 T I -0.7924 Soluble
6 Q I 0.0000 Buried
7 S I -1.0519 Soluble
8 P I -0.7020 Soluble
9 G I -1.2045 Soluble
10 T I -1.0879 Soluble
11 L I -0.5325 Soluble
12 S I -0.6614 Soluble
13 L I -0.8719 Soluble
14 S I -1.4068 Soluble
15 P I -2.0416 Soluble
16 G I -2.4724 Soluble
17 E I -2.6736 Soluble
18 R I -2.8940 Soluble
19 A I 0.0000 Buried
20 T I -0.5506 Soluble
21 L I 0.0000 Buried
22 S I -0.9289 Soluble
23 C I 0.0000 Buried
24 R I -2.2319 Soluble
25 A I -1.0712 Soluble
26 S I -0.5407 Soluble
27 Q I -1.1723 Soluble
28 S I -1.1987 Soluble
29 L I 0.0000 Buried
30 G I -0.5215 Soluble
36 S I -0.5823 Soluble
37 S I -0.0890 Soluble
38 Y I 0.3349 Aggregation-prone
39 L I 0.0000 Buried
40 A I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I 0.0000 Buried
44 Q I 0.0000 Buried
45 K I -1.6339 Soluble
46 P I -1.2881 Soluble
47 G I -1.3975 Soluble
48 Q I -2.1260 Soluble
49 A I -1.3970 Soluble
50 P I 0.0000 Buried
51 R I -1.7373 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I 0.1427 Aggregation-prone
56 G I -0.0918 Soluble
57 A I 0.0000 Buried
65 S I -0.5765 Soluble
66 S I -0.6423 Soluble
67 R I -1.4321 Soluble
68 A I 0.0000 Buried
69 P I -0.7299 Soluble
70 G I -0.8823 Soluble
71 I I -1.0278 Soluble
72 P I -1.2230 Soluble
74 D I -2.1328 Soluble
75 R I -1.9881 Soluble
76 F I 0.0000 Buried
77 S I -0.8830 Soluble
78 G I -0.4856 Soluble
79 S I -0.6685 Soluble
80 G I -1.0871 Soluble
83 S I -0.8595 Soluble
84 G I -1.1296 Soluble
85 T I -1.6624 Soluble
86 D I -2.1022 Soluble
87 F I 0.0000 Buried
88 T I -0.7643 Soluble
89 L I 0.0000 Buried
90 T I -0.5820 Soluble
91 I I 0.0000 Buried
92 S I -2.5250 Soluble
93 R I -3.2411 Soluble
94 L I 0.0000 Buried
95 E I -2.5563 Soluble
96 P I -1.8728 Soluble
97 E I -2.3598 Soluble
98 D I 0.0000 Buried
99 F I -0.9587 Soluble
100 A I 0.0000 Buried
101 V I -0.8960 Soluble
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 Q I 0.0000 Buried
107 Y I 0.0000 Buried
108 A I -0.5443 Soluble
109 D I -1.2908 Soluble
114 S I -0.9955 Soluble
115 P I -1.0824 Soluble
116 I I 0.0000 Buried
117 T I 0.0389 Aggregation-prone
118 F I 0.0906 Aggregation-prone
119 G I 0.0000 Buried
120 Q I -1.4893 Soluble
121 G I -1.3320 Soluble
122 T I 0.0000 Buried
123 R I -1.8693 Soluble
124 L I 0.0000 Buried
125 E I 0.0000 Buried
126 I I -0.7182 Soluble
127 K I -1.3012 Soluble
128 R I -1.0441 Soluble
129 T I -0.0756 Soluble
130 V I 0.6609 Aggregation-prone
131 A I 0.1934 Aggregation-prone
132 A I -0.0909 Soluble
133 P I 0.0000 Buried
134 S I -0.1634 Soluble
135 V I 0.0000 Buried
136 F I -0.0080 Soluble
137 I I 0.0000 Buried
138 F I 0.0000 Buried
139 P I 0.0000 Buried
140 P I 0.0000 Buried
141 S I 0.0000 Buried
142 D I -2.7480 Soluble
143 E I -2.2528 Soluble
144 Q I 0.0000 Buried
145 L I -2.0649 Soluble
146 K I -2.6424 Soluble
147 S I -1.6037 Soluble
148 G I -1.5390 Soluble
149 T I -1.1634 Soluble
150 A I 0.0000 Buried
151 S I 0.0000 Buried
152 V I 0.0000 Buried
153 V I 0.0000 Buried
154 C I 0.0000 Buried
155 L I 0.0000 Buried
156 L I 0.0000 Buried
157 N I 0.0000 Buried
158 N I -0.8653 Soluble
159 F I 0.0000 Buried
160 Y I 0.0000 Buried
161 P I -1.7486 Soluble
162 R I -3.2609 Soluble
163 E I -3.2733 Soluble
164 A I -2.3578 Soluble
165 K I -2.4694 Soluble
166 V I -1.1268 Soluble
167 Q I -0.7644 Soluble
168 W I 0.0000 Buried
169 K I -0.7879 Soluble
170 V I 0.0000 Buried
171 D I -1.8677 Soluble
172 N I -1.4876 Soluble
173 A I -0.4766 Soluble
174 L I 0.2808 Aggregation-prone
175 Q I -0.2834 Soluble
176 S I -0.5539 Soluble
177 G I -0.8475 Soluble
178 N I -0.7529 Soluble
179 S I -0.9844 Soluble
180 Q I -1.2019 Soluble
181 E I -1.5399 Soluble
182 S I -0.6611 Soluble
183 V I -0.8250 Soluble
184 T I -1.2330 Soluble
185 E I -2.3161 Soluble
186 Q I -1.9553 Soluble
187 D I -2.0515 Soluble
188 S I -1.7891 Soluble
189 K I -2.3465 Soluble
190 D I -1.8671 Soluble
191 S I -1.7570 Soluble
192 T I 0.0000 Buried
193 Y I 0.0000 Buried
194 S I 0.0000 Buried
195 L I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 T I -0.5594 Soluble
199 L I 0.0000 Buried
200 T I -0.2547 Soluble
201 L I -0.7040 Soluble
202 S I -1.1916 Soluble
203 K I -2.1925 Soluble
204 A I -2.0009 Soluble
205 D I -3.0396 Soluble
206 Y I 0.0000 Buried
207 E I -3.4437 Soluble
208 K I -3.4962 Soluble
209 H I -3.0217 Soluble
210 K I -3.0124 Soluble
211 V I -1.5577 Soluble
212 Y I 0.0000 Buried
213 A I -0.7229 Soluble
214 C I 0.0000 Buried
215 E I -0.6946 Soluble
216 V I 0.0000 Buried
217 T I -1.2473 Soluble
218 H I 0.0000 Buried
219 Q I -1.7434 Soluble
220 G I -0.4155 Soluble
221 L I -0.2119 Soluble
222 S I -0.4457 Soluble
223 S I -0.4179 Soluble
224 P I -0.5068 Soluble
225 V I 0.1051 Aggregation-prone
226 T I -0.4102 Soluble
227 K I -0.6173 Soluble
228 S I -0.5333 Soluble
229 F I -0.7190 Soluble
230 N I -1.7286 Soluble
231 R I -2.1626 Soluble
232 G I -1.2578 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 -0.7351 3.8382 CSV PDB
4.5 -0.7793 3.6463 CSV PDB
5.0 -0.8312 3.4418 CSV PDB
5.5 -0.8805 3.2329 CSV PDB
6.0 -0.916 3.0228 CSV PDB
6.5 -0.9302 2.8129 CSV PDB
7.0 -0.9236 2.6051 CSV PDB
7.5 -0.9036 2.4578 CSV PDB
8.0 -0.8762 2.4578 CSV PDB
8.5 -0.8426 2.4578 CSV PDB
9.0 -0.8027 2.4578 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH