Fresolimumab / 4kxz

A4DAB120_4kxz_H_L | Source PDB: 4kxz | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6571
Max Score
2.4144
Min Score
-3.7865
Total Score
-286.49
Score CDR
0.1514
Score non-CDR
-0.7571

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYTFSSNVISWVRQAPGQGLEWMGGVIPIVDIANYAQRFKGRVTITADESTSTTYMELSSLRSEDTAVYYCASTLGLVLDAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHHHHETVLTQSPGTLSLSPGERATLSCRASQSLGSSYLAWYQQKPGQAPRLLIYGASSRAPGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYADSPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) H (Heavy), L (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 -3.7865
Maximum Score 2.4144
Average Score -0.6571
Total Score -286.487

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

Index Residue Chain A4D Score Classification
2 V H 1.3245 Aggregation-prone
3 Q H -0.5651 Soluble
4 L H 0.0000 Buried
5 V H -0.7485 Soluble
6 Q H 0.0000 Buried
7 S H -0.8550 Soluble
8 G H -0.9999 Soluble
9 A H -0.8415 Soluble
11 E H -1.4415 Soluble
12 V H -0.8386 Soluble
13 K H -1.6565 Soluble
14 K H -2.3440 Soluble
15 P H -1.9701 Soluble
16 G H -1.4577 Soluble
17 S H -1.1755 Soluble
18 S H -1.3570 Soluble
19 V H 0.0000 Buried
20 K H -2.1589 Soluble
21 V H 0.0000 Buried
22 S H -0.8224 Soluble
23 C H 0.0000 Buried
24 K H -1.8864 Soluble
25 A H 0.0000 Buried
26 S H -0.3143 Soluble
27 G H 0.1001 Aggregation-prone
28 Y H 1.1482 Aggregation-prone
29 T H 0.3997 Aggregation-prone
30 F H 0.0000 Buried
35 S H 0.4308 Aggregation-prone
36 S H 0.0405 Aggregation-prone
37 N H 0.2326 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 -0.4292 Soluble
45 A H 0.0000 Buried
46 P H -0.9871 Soluble
47 G H -1.4490 Soluble
48 Q H -1.8621 Soluble
49 G H -1.1700 Soluble
50 L H 0.0000 Buried
51 E H 0.0000 Buried
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 1.2507 Aggregation-prone
58 P H 0.0000 Buried
59 I H 2.2255 Aggregation-prone
62 V H 2.4144 Aggregation-prone
63 D H 0.3574 Aggregation-prone
64 I H 1.5058 Aggregation-prone
65 A H 0.3656 Aggregation-prone
66 N H -0.6348 Soluble
67 Y H -1.3369 Soluble
68 A H 0.0000 Buried
69 Q H -2.9839 Soluble
70 R H -2.9715 Soluble
71 F H 0.0000 Buried
72 K H -2.9808 Soluble
74 G H -1.8894 Soluble
75 R H -1.5216 Soluble
76 V H 0.0000 Buried
77 T H -0.9848 Soluble
78 I H 0.0000 Buried
79 T H -0.4405 Soluble
80 A H -0.4414 Soluble
81 D H -1.3963 Soluble
82 E H -1.1742 Soluble
83 S H -0.9001 Soluble
84 T H -1.0185 Soluble
85 S H -1.1043 Soluble
86 T H 0.0000 Buried
87 T H 0.0000 Buried
88 Y H -0.6856 Soluble
89 M H 0.0000 Buried
90 E H -1.6767 Soluble
91 L H 0.0000 Buried
92 S H -1.0984 Soluble
93 S H -1.0363 Soluble
94 L H 0.0000 Buried
95 R H -2.4423 Soluble
96 S H -2.0647 Soluble
97 E H -2.5978 Soluble
98 D H 0.0000 Buried
99 T H -1.0008 Soluble
100 A H 0.0000 Buried
101 V H 0.2230 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 0.8855 Aggregation-prone
109 G H 0.6491 Aggregation-prone
110 L H 1.7809 Aggregation-prone
111 V H 1.3555 Aggregation-prone
112 L H 0.7462 Aggregation-prone
113 D H 0.0000 Buried
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.1763 Soluble
117 Y H 0.4587 Aggregation-prone
118 W H -0.3455 Soluble
119 G H 0.0000 Buried
120 Q H -1.4813 Soluble
121 G H -0.7208 Soluble
122 T H 0.0000 Buried
123 L H 0.0645 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.8776 Soluble
126 V H 0.0000 Buried
127 S H -1.1057 Soluble
128 S H -1.0131 Soluble
129 A H -0.6027 Soluble
130 S H -0.6372 Soluble
131 T H -0.6072 Soluble
132 K H -1.1985 Soluble
133 G H -1.3769 Soluble
134 P H -0.6004 Soluble
135 S H -0.4750 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.0000 Buried
142 C H -1.0199 Soluble
143 S H -1.0976 Soluble
144 R H -1.5515 Soluble
145 S H -1.2826 Soluble
146 T H -1.2775 Soluble
147 S H -1.5105 Soluble
148 E H -2.1428 Soluble
149 S H -1.2813 Soluble
150 T H -0.8881 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4160 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3607 Soluble
164 P H -0.5978 Soluble
165 V H -0.5782 Soluble
166 T H -0.5766 Soluble
167 V H -0.2135 Soluble
168 S H -0.4775 Soluble
169 W H 0.0000 Buried
170 N H -0.9963 Soluble
171 S H -0.7625 Soluble
172 G H -0.5416 Soluble
173 A H -0.2527 Soluble
174 L H -0.1013 Soluble
175 T H -0.1900 Soluble
176 S H -0.1979 Soluble
177 G H -0.2305 Soluble
178 V H 0.1356 Aggregation-prone
179 H H -0.1935 Soluble
180 T H 0.0503 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1801 Soluble
183 A H 0.4458 Aggregation-prone
184 V H 0.5648 Aggregation-prone
185 L H 1.1459 Aggregation-prone
186 Q H 0.2444 Aggregation-prone
187 S H -0.2041 Soluble
188 S H -0.2716 Soluble
189 G H -0.0745 Soluble
190 L H 0.1224 Aggregation-prone
191 Y H 0.4846 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1309 Soluble
199 V H 0.0000 Buried
200 P H -0.6384 Soluble
201 S H -0.8553 Soluble
202 S H -0.8078 Soluble
203 S H 0.0000 Buried
204 L H -0.9961 Soluble
205 G H -1.2686 Soluble
206 T H -1.1518 Soluble
207 K H -1.9732 Soluble
208 T H -1.5259 Soluble
209 Y H 0.0000 Buried
210 T H 0.0000 Buried
211 C H 0.0000 Buried
212 N H -1.7112 Soluble
213 V H 0.0000 Buried
214 D H -1.9888 Soluble
215 H H 0.0000 Buried
216 K H -2.8828 Soluble
217 P H -1.7462 Soluble
218 S H -1.8089 Soluble
219 N H -2.5770 Soluble
220 T H -2.1047 Soluble
221 K H -2.7838 Soluble
222 V H -1.7992 Soluble
223 D H -2.7926 Soluble
224 K H -2.4072 Soluble
225 R H -2.8550 Soluble
226 V H 0.0000 Buried
227 H H -2.3792 Soluble
228 H H -1.8925 Soluble
229 H H -1.6050 Soluble
230 H H -1.6825 Soluble
231 H H -2.3078 Soluble
232 H H -2.4870 Soluble
1 E L -1.8617 Soluble
2 T L 0.0000 Buried
3 V L 0.7126 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.7792 Soluble
6 Q L 0.0000 Buried
7 S L -0.9158 Soluble
8 P L -0.5264 Soluble
9 G L -0.8971 Soluble
10 T L -0.4786 Soluble
11 L L -0.1975 Soluble
12 S L -0.2886 Soluble
13 L L -0.8444 Soluble
14 S L -1.6580 Soluble
15 P L -2.2888 Soluble
16 G L -2.5354 Soluble
17 E L -3.0949 Soluble
18 R L -3.1577 Soluble
19 A L 0.0000 Buried
20 T L -0.5617 Soluble
21 L L 0.0000 Buried
22 S L -0.9260 Soluble
23 C L 0.0000 Buried
24 R L -2.2907 Soluble
25 A L -1.0961 Soluble
26 S L -0.7982 Soluble
27 Q L -1.3918 Soluble
28 S L -1.2123 Soluble
29 L L 0.0000 Buried
30 G L -0.6304 Soluble
36 S L -0.5433 Soluble
37 S L -0.0812 Soluble
38 Y L 0.3369 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.2516 Soluble
46 P L -1.1082 Soluble
47 G L -1.4563 Soluble
48 Q L -1.9741 Soluble
49 A L -1.1976 Soluble
50 P L 0.0000 Buried
51 R L -1.1897 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1130 Aggregation-prone
56 G L -0.1042 Soluble
57 A L 0.0000 Buried
65 S L -0.6119 Soluble
66 S L -0.7408 Soluble
67 R L -1.6639 Soluble
68 A L 0.0000 Buried
69 P L -0.8606 Soluble
70 G L -1.0294 Soluble
71 I L 0.0000 Buried
72 P L -1.3601 Soluble
74 D L -2.4099 Soluble
75 R L -2.0524 Soluble
76 F L 0.0000 Buried
77 S L -0.9687 Soluble
78 G L -0.5214 Soluble
79 S L -0.6917 Soluble
80 G L -1.1302 Soluble
83 S L -1.0813 Soluble
84 G L -1.1682 Soluble
85 T L -1.7257 Soluble
86 D L -2.2550 Soluble
87 F L 0.0000 Buried
88 T L -0.7938 Soluble
89 L L 0.0000 Buried
90 T L -0.8160 Soluble
91 I L 0.0000 Buried
92 S L -2.5459 Soluble
93 R L -3.5481 Soluble
94 L L 0.0000 Buried
95 E L -2.6111 Soluble
96 P L -2.4988 Soluble
97 E L -2.7705 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.2557 Soluble
102 Y L 0.0000 Buried
103 Y L -0.2320 Soluble
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 A L -0.5065 Soluble
109 D L -1.5285 Soluble
114 S L -1.1770 Soluble
115 P L -1.2651 Soluble
116 I L 0.0000 Buried
117 T L -0.1864 Soluble
118 F L 0.2140 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.2554 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 R L -0.7628 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.0220 Soluble
128 R L -0.7962 Soluble
129 T L 0.1726 Aggregation-prone
130 V L 1.0155 Aggregation-prone
131 A L 0.3431 Aggregation-prone
132 A L -0.0224 Soluble
133 P L 0.0000 Buried
134 S L -0.1874 Soluble
135 V L 0.0000 Buried
136 F L -0.0010 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L 0.0000 Buried
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -2.8836 Soluble
143 E L -3.1081 Soluble
144 Q L 0.0000 Buried
145 L L -2.1631 Soluble
146 K L -2.7683 Soluble
147 S L -1.7086 Soluble
148 G L -1.5217 Soluble
149 T L -1.1675 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.8279 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1718 Soluble
162 R L -2.0867 Soluble
163 E L -2.7966 Soluble
164 A L -2.1059 Soluble
165 K L -2.3509 Soluble
166 V L -1.0635 Soluble
167 Q L -0.6825 Soluble
168 W L 0.0000 Buried
169 K L -0.6734 Soluble
170 V L 0.0000 Buried
171 D L -1.7811 Soluble
172 N L -1.4100 Soluble
173 A L -0.4268 Soluble
174 L L 0.3968 Aggregation-prone
175 Q L -0.2323 Soluble
176 S L -0.4772 Soluble
177 G L -0.8675 Soluble
178 N L -0.7782 Soluble
179 S L -1.0074 Soluble
180 Q L -1.2138 Soluble
181 E L -1.4311 Soluble
182 S L -0.5671 Soluble
183 V L -0.0963 Soluble
184 T L -0.4752 Soluble
185 E L -1.1369 Soluble
186 Q L 0.0000 Buried
187 D L -1.9297 Soluble
188 S L -2.3304 Soluble
189 K L -2.7514 Soluble
190 D L -1.9826 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.5802 Soluble
199 L L 0.0000 Buried
200 T L -0.4165 Soluble
201 L L -0.6576 Soluble
202 S L -1.1369 Soluble
203 K L -2.4214 Soluble
204 A L -1.9738 Soluble
205 D L -2.7411 Soluble
206 Y L 0.0000 Buried
207 E L -3.7865 Soluble
208 K L -3.6597 Soluble
209 H L -3.1939 Soluble
210 K L -3.0822 Soluble
211 V L -1.5407 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6717 Soluble
216 V L 0.0000 Buried
217 T L -1.2472 Soluble
218 H L 0.0000 Buried
219 Q L -1.5837 Soluble
220 G L -0.3052 Soluble
221 L L -0.1941 Soluble
222 S L -0.4613 Soluble
223 S L -0.4385 Soluble
224 P L -0.5363 Soluble
225 V L 0.0408 Aggregation-prone
226 T L -0.4107 Soluble
227 K L -0.6711 Soluble
228 S L -0.5052 Soluble
229 F L 0.0000 Buried
230 N L -1.6014 Soluble
231 R L -1.9854 Soluble
232 G L -1.2584 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.7963 3.8281 CSV PDB
4.5 -0.8358 3.7529 CSV PDB
5.0 -0.883 3.6204 CSV PDB
5.5 -0.9282 3.444 CSV PDB
6.0 -0.9609 3.2462 CSV PDB
6.5 -0.9729 3.0404 CSV PDB
7.0 -0.9639 2.832 CSV PDB
7.5 -0.9416 2.6231 CSV PDB
8.0 -0.9127 2.4151 CSV PDB
8.5 -0.8792 2.372 CSV PDB
9.0 -0.8408 2.372 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH