Erenumab / 6umj

A4DAB109_6umj_H_L | Source PDB: 6umj | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6812
Max Score
1.3946
Min Score
-3.0952
Total Score
-305.2
Score CDR
-0.2764
Score non-CDR
-0.7438

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCQSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC 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 -3.0952
Maximum Score 1.3946
Average Score -0.6812
Total Score -305.1991

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

Index Residue Chain A4D Score Classification
1 Q H -0.8502 Soluble
2 V H 0.3763 Aggregation-prone
3 Q H -0.6155 Soluble
4 L H 0.0000 Buried
5 V H 0.6714 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5220 Soluble
8 G H -0.9725 Soluble
9 G H -0.4971 Soluble
11 G H 0.0659 Aggregation-prone
12 V H 0.7773 Aggregation-prone
13 V H -0.3135 Soluble
14 Q H -1.2838 Soluble
15 P H -1.7746 Soluble
16 G H -1.9436 Soluble
17 R H -2.4305 Soluble
18 S H -1.9201 Soluble
19 L H -1.2926 Soluble
20 R H -2.0780 Soluble
21 L H 0.0000 Buried
22 S H -0.4002 Soluble
23 C H 0.0000 Buried
24 A H -0.2224 Soluble
25 A H 0.0000 Buried
26 S H -0.2694 Soluble
27 G H -0.2347 Soluble
28 F H 0.0668 Aggregation-prone
29 T H -0.1111 Soluble
30 F H 0.0000 Buried
35 S H -0.8043 Soluble
36 S H -0.0336 Soluble
37 F H 0.1977 Aggregation-prone
38 G H 0.1266 Aggregation-prone
39 M H 0.0000 Buried
40 H 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 -0.8293 Soluble
45 A H -1.2407 Soluble
46 P H -0.9984 Soluble
47 G H -1.6824 Soluble
48 K H -2.2774 Soluble
49 G H -1.4919 Soluble
50 L H 0.0000 Buried
51 E H -0.9350 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 V H -0.0984 Soluble
56 I H 0.0000 Buried
57 S H -0.0818 Soluble
58 F H 0.2123 Aggregation-prone
59 D H -1.3754 Soluble
63 G H -0.9753 Soluble
64 S H -0.6071 Soluble
65 I H -0.0673 Soluble
66 K H -0.7775 Soluble
67 Y H 0.0000 Buried
67A S H -0.9044 Soluble
68 V H -1.0004 Soluble
69 D H -2.3151 Soluble
70 S H -1.7680 Soluble
71 V H 0.0000 Buried
72 K H -2.6326 Soluble
74 G H -1.8104 Soluble
75 R H -1.5758 Soluble
76 F H 0.0000 Buried
77 T H -0.9824 Soluble
78 I H 0.0000 Buried
79 S H -0.6184 Soluble
80 R H -0.9723 Soluble
81 D H -1.6274 Soluble
82 N H -1.7492 Soluble
83 S H -1.5521 Soluble
84 K H -2.3433 Soluble
85 N H -1.7064 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 F H -0.4033 Soluble
89 L H 0.0000 Buried
90 Q H -1.1421 Soluble
91 M H 0.0000 Buried
92 N H -1.8631 Soluble
93 S H -1.6605 Soluble
94 L H 0.0000 Buried
95 R H -2.1924 Soluble
96 A H -1.5329 Soluble
97 E H -2.1552 Soluble
98 D H 0.0000 Buried
99 T H -0.6522 Soluble
100 A H 0.0000 Buried
101 V H 0.0939 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 R H -0.4386 Soluble
107 D H -0.1421 Soluble
108 R H -0.1932 Soluble
109 L H 0.2747 Aggregation-prone
110 N H 0.2213 Aggregation-prone
111 Y H 1.3176 Aggregation-prone
111A Y H 0.8443 Aggregation-prone
111B D H -0.6715 Soluble
111C S H -0.3972 Soluble
111D S H -0.5430 Soluble
111E G H 0.0952 Aggregation-prone
112E Y H 1.3946 Aggregation-prone
112D Y H 0.8567 Aggregation-prone
112C H H -0.8912 Soluble
112B Y H -0.4902 Soluble
112A K H -1.3060 Soluble
112 Y H 0.0000 Buried
113 Y H 0.0000 Buried
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 A H -0.2288 Soluble
117 V H -0.0454 Soluble
118 W H -0.2150 Soluble
119 G H 0.0000 Buried
120 Q H -1.0857 Soluble
121 G H -0.3821 Soluble
122 T H -0.2328 Soluble
123 T H 0.0221 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1759 Soluble
126 V H 0.0000 Buried
127 S H -0.5546 Soluble
128 S H -0.5804 Soluble
129 A H -0.3526 Soluble
130 S H -0.4617 Soluble
131 T H -0.6102 Soluble
132 K H -1.0833 Soluble
133 G H -1.1844 Soluble
134 P H 0.0000 Buried
135 S H -0.1082 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2257 Soluble
139 L H 0.0000 Buried
140 A H -1.2050 Soluble
141 P H 0.0000 Buried
142 S H -1.2574 Soluble
143 S H -0.8218 Soluble
144 K H -1.6473 Soluble
145 S H -0.7896 Soluble
146 T H -0.8650 Soluble
147 S H -0.8934 Soluble
148 G H -0.8494 Soluble
149 G H -0.9146 Soluble
150 T H -0.6367 Soluble
151 A H 0.0000 Buried
152 A H -0.2686 Soluble
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 0.0000 Buried
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.7209 Soluble
163 E H -1.1101 Soluble
164 P H -1.0604 Soluble
165 V H -0.7361 Soluble
166 T H -0.5395 Soluble
167 V H -0.0718 Soluble
168 S H -0.3427 Soluble
169 W H 0.0000 Buried
170 N H -0.8225 Soluble
171 S H -0.7031 Soluble
172 G H -0.5864 Soluble
173 A H -0.2555 Soluble
174 L H 0.0173 Aggregation-prone
175 T H -0.1770 Soluble
176 S H -0.1733 Soluble
177 G H -0.1570 Soluble
178 V H 0.1228 Aggregation-prone
179 H H -0.4017 Soluble
180 T H -0.1994 Soluble
181 F H 0.0000 Buried
182 P H -0.2201 Soluble
183 A H 0.0350 Aggregation-prone
184 V H 0.0000 Buried
185 L H 1.3713 Aggregation-prone
186 Q H 0.3755 Aggregation-prone
187 S H -0.1138 Soluble
188 S H -0.1009 Soluble
189 G H 0.1413 Aggregation-prone
190 L H 0.2164 Aggregation-prone
191 Y H 0.4192 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 -0.1532 Soluble
199 V H 0.0000 Buried
200 P H -0.4999 Soluble
201 S H -0.5784 Soluble
202 S H -0.5600 Soluble
203 S H -0.5524 Soluble
204 L H -0.7406 Soluble
205 G H -0.9416 Soluble
206 T H -0.6616 Soluble
207 Q H -1.0914 Soluble
208 T H -1.0850 Soluble
209 Y H 0.0000 Buried
210 I H -1.2851 Soluble
211 C H 0.0000 Buried
212 N H -1.4161 Soluble
213 V H 0.0000 Buried
214 N H -1.6964 Soluble
215 H H 0.0000 Buried
216 K H -2.7779 Soluble
217 P H -1.7402 Soluble
218 S H -1.8185 Soluble
219 N H -2.5109 Soluble
220 T H -1.9853 Soluble
221 K H -2.5760 Soluble
222 V H -1.5739 Soluble
223 D H -2.4226 Soluble
224 K H -2.2160 Soluble
225 K H -2.5594 Soluble
226 V H 0.0000 Buried
227 E H -2.8589 Soluble
228 P H -1.8856 Soluble
229 K H -1.9462 Soluble
230 S H -0.7245 Soluble
231 C H 0.4334 Aggregation-prone
1 Q L -1.1942 Soluble
2 S L -0.6288 Soluble
3 V L 0.1315 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.4031 Soluble
6 Q L 0.0000 Buried
7 P L -0.5961 Soluble
8 P L -0.9093 Soluble
9 S L -0.9946 Soluble
11 V L -0.4189 Soluble
12 S L -0.3564 Soluble
13 A L 0.0000 Buried
14 A L -0.6064 Soluble
15 P L -1.2006 Soluble
16 G L -1.7797 Soluble
17 Q L -2.2312 Soluble
18 K L -2.4142 Soluble
19 V L -0.9774 Soluble
20 T L -0.3992 Soluble
21 I L 0.0000 Buried
22 S L -0.3333 Soluble
23 C L 0.0000 Buried
24 S L -0.3905 Soluble
25 G L -0.2890 Soluble
26 S L -0.5253 Soluble
27 S L -1.0931 Soluble
28 S L -0.9277 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.2568 Soluble
36 N L -1.7378 Soluble
37 N L -1.0160 Soluble
38 Y L -0.4057 Soluble
39 V L 0.0000 Buried
40 S 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 L L -0.2207 Soluble
46 P L -0.5414 Soluble
47 G L -0.6447 Soluble
48 T L -0.6085 Soluble
49 A L -0.6090 Soluble
50 P L 0.0000 Buried
51 K L -0.7172 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 D L -1.1810 Soluble
57 N L -1.4492 Soluble
65 N L -2.4033 Soluble
66 K L -2.6846 Soluble
67 R L -2.3130 Soluble
68 P L -1.0201 Soluble
69 S L -0.8139 Soluble
70 G L -0.9410 Soluble
71 I L 0.0000 Buried
72 P L -1.4456 Soluble
74 D L -2.4028 Soluble
75 R L -1.5858 Soluble
76 F L 0.0000 Buried
77 S L -1.5295 Soluble
78 G L -1.4063 Soluble
79 S L -1.2539 Soluble
80 K L -1.3480 Soluble
83 S L -0.9282 Soluble
84 G L -1.1023 Soluble
85 T L -0.9227 Soluble
86 S L -0.7037 Soluble
87 T L 0.0000 Buried
88 T L -0.6309 Soluble
89 L L 0.0000 Buried
90 G L -0.5777 Soluble
91 I L 0.0000 Buried
92 T L -1.7879 Soluble
93 G L -1.5771 Soluble
94 L L 0.0000 Buried
95 Q L -1.6638 Soluble
96 T L -1.0069 Soluble
97 G L -0.9460 Soluble
98 D L 0.0000 Buried
99 E L -0.9329 Soluble
100 A L 0.0000 Buried
101 D L -1.0060 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 G L 0.0000 Buried
106 T L 0.0000 Buried
107 W L 0.0000 Buried
108 D L 0.0000 Buried
109 S L -0.6728 Soluble
110 R L -1.2718 Soluble
113 L L 0.2004 Aggregation-prone
114 S L 0.3818 Aggregation-prone
115 A L 0.0000 Buried
116 V L 0.0000 Buried
117 V L 0.2774 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.0802 Soluble
121 G L -1.1065 Soluble
122 T L 0.0000 Buried
123 K L -1.9637 Soluble
124 L L 0.0000 Buried
125 T L -0.3788 Soluble
126 V L 0.0000 Buried
127 L L 0.6849 Aggregation-prone
128 G L -0.7003 Soluble
129 Q L -1.2860 Soluble
130 P L -1.3269 Soluble
131 K L -2.6275 Soluble
132 A L -2.0150 Soluble
133 N L -2.0765 Soluble
134 P L 0.0000 Buried
135 T L -0.4786 Soluble
136 V L 0.0000 Buried
137 T L -0.6394 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.3975 Soluble
141 P L 0.0000 Buried
142 S L -1.0302 Soluble
143 S L -1.5912 Soluble
144 E L -2.2008 Soluble
145 E L 0.0000 Buried
146 L L -1.6339 Soluble
147 Q L -2.1445 Soluble
148 A L -1.6182 Soluble
149 N L -2.2304 Soluble
150 K L -1.6839 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L -0.7725 Soluble
159 D L -1.5307 Soluble
160 F L 0.0000 Buried
161 Y L 0.0000 Buried
162 P L -1.3530 Soluble
163 G L -0.9773 Soluble
164 A L -0.4817 Soluble
165 V L -0.3428 Soluble
166 T L -0.2937 Soluble
167 V L 0.0463 Aggregation-prone
168 A L -0.4878 Soluble
169 W L 0.0000 Buried
170 K L -1.1429 Soluble
171 A L 0.0000 Buried
172 D L -1.8092 Soluble
173 G L -1.1221 Soluble
174 S L -0.8449 Soluble
175 P L -0.9737 Soluble
176 V L -0.7763 Soluble
177 K L -1.6275 Soluble
178 A L -0.7596 Soluble
179 G L -0.5716 Soluble
180 V L -0.4336 Soluble
181 E L -0.3397 Soluble
182 T L -0.3596 Soluble
183 T L -0.6933 Soluble
184 K L -1.7763 Soluble
185 P L -1.1701 Soluble
186 S L -1.2938 Soluble
187 K L -2.0273 Soluble
188 Q L -1.9219 Soluble
189 S L -1.6304 Soluble
190 N L -2.3919 Soluble
191 N L -2.7181 Soluble
192 K L -2.3745 Soluble
193 Y L -1.4459 Soluble
194 A L -0.9690 Soluble
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.2380 Soluble
201 L L -0.8021 Soluble
202 T L -1.4789 Soluble
203 P L -2.1541 Soluble
204 E L -3.0097 Soluble
205 Q L -2.2900 Soluble
206 W L 0.0000 Buried
207 K L -3.0952 Soluble
208 S L -2.3638 Soluble
209 H L -2.4280 Soluble
210 R L -2.6040 Soluble
211 S L -1.8847 Soluble
212 Y L 0.0000 Buried
213 S L -1.1864 Soluble
214 C L 0.0000 Buried
215 Q L -1.0888 Soluble
216 V L 0.0000 Buried
217 T L -0.8481 Soluble
218 H L 0.0000 Buried
219 E L -2.4548 Soluble
220 G L -1.4008 Soluble
221 S L -1.0307 Soluble
222 T L -0.9255 Soluble
223 V L -0.9829 Soluble
224 E L -2.1088 Soluble
225 K L -1.8696 Soluble
226 T L -1.1367 Soluble
227 V L 0.0000 Buried
228 A L -1.3467 Soluble
229 P L -1.5048 Soluble
230 T L -1.3687 Soluble
231 E L -1.5893 Soluble
232 C L -0.6531 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
Load structure at specific pH condition
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 -0.7152 2.0643 CSV PDB
4.5 -0.745 2.0578 CSV PDB
5.0 -0.7786 2.0497 CSV PDB
5.5 -0.808 2.0412 CSV PDB
6.0 -0.8235 2.0337 CSV PDB
6.5 -0.817 2.0284 CSV PDB
7.0 -0.789 2.0257 CSV PDB
7.5 -0.7464 2.0246 CSV PDB
8.0 -0.6954 2.0243 CSV PDB
8.5 -0.6387 2.0241 CSV PDB
9.0 -0.5777 2.0241 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH