Erenumab / 6umh

A4DAB109_6umh_H_L | Source PDB: 6umh | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6758
Max Score
1.9617
Min Score
-3.1223
Total Score
-301.39
Score CDR
-0.0234
Score non-CDR
-0.7772

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSQSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE 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 -3.1223
Maximum Score 1.9617
Average Score -0.6758
Total Score -301.3853

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

Index Residue Chain A4D Score Classification
1 Q H -0.7106 Soluble
2 V H 0.6634 Aggregation-prone
3 Q H -0.0872 Soluble
4 L H 0.0000 Buried
5 V H 0.3797 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5786 Soluble
8 G H -0.9550 Soluble
9 G H -0.3412 Soluble
11 G H 0.5663 Aggregation-prone
12 V H 1.5433 Aggregation-prone
13 V H -0.0573 Soluble
14 Q H -1.2105 Soluble
15 P H -1.7052 Soluble
16 G H -1.9713 Soluble
17 R H -2.5894 Soluble
18 S H -1.9460 Soluble
19 L H -1.1617 Soluble
20 R H -1.8672 Soluble
21 L H 0.0000 Buried
22 S H -0.4279 Soluble
23 C H 0.0000 Buried
24 A H -0.1888 Soluble
25 A H 0.0000 Buried
26 S H -0.1552 Soluble
27 G H -0.2145 Soluble
28 F H 0.0853 Aggregation-prone
29 T H -0.0074 Soluble
30 F H 0.0000 Buried
35 S H -0.8588 Soluble
36 S H 0.0762 Aggregation-prone
37 F H 0.0000 Buried
38 G H 0.0000 Buried
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 -0.8898 Soluble
45 A H -1.2031 Soluble
46 P H -1.2021 Soluble
47 G H -1.9745 Soluble
48 K H -2.5227 Soluble
49 G H -1.5891 Soluble
50 L H 0.0000 Buried
51 E H -1.1562 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 V H 0.4293 Aggregation-prone
56 I H 0.0000 Buried
57 S H -0.0454 Soluble
58 F H -0.2671 Soluble
59 D H -1.5474 Soluble
63 G H -0.8317 Soluble
64 S H -0.1682 Soluble
65 I H 0.9918 Aggregation-prone
66 K H 0.0168 Aggregation-prone
67 Y H 0.2430 Aggregation-prone
67A S H -0.4615 Soluble
68 V H -0.8015 Soluble
69 D H -2.1291 Soluble
70 S H -1.8005 Soluble
71 V H 0.0000 Buried
72 K H -2.5480 Soluble
74 G H -1.7997 Soluble
75 R H -1.4540 Soluble
76 F H 0.0000 Buried
77 T H -0.9551 Soluble
78 I H 0.0000 Buried
79 S H -0.5112 Soluble
80 R H -1.0917 Soluble
81 D H -1.6966 Soluble
82 N H -1.8100 Soluble
83 S H -1.5525 Soluble
84 K H -2.3278 Soluble
85 N H -1.6317 Soluble
86 T H -0.9958 Soluble
87 L H 0.0000 Buried
88 F H -0.4482 Soluble
89 L H 0.0000 Buried
90 Q H -1.2605 Soluble
91 M H 0.0000 Buried
92 N H -1.7947 Soluble
93 S H -1.6663 Soluble
94 L H 0.0000 Buried
95 R H -2.2684 Soluble
96 A H -1.6626 Soluble
97 E H -2.2457 Soluble
98 D H 0.0000 Buried
99 T H -0.5958 Soluble
100 A H 0.0000 Buried
101 V H -0.0198 Soluble
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 -0.0552 Soluble
107 D H 0.0000 Buried
108 R H 0.3582 Aggregation-prone
109 L H 0.6237 Aggregation-prone
110 N H 0.0000 Buried
111 Y H 1.6601 Aggregation-prone
111A Y H 1.9617 Aggregation-prone
111B D H 0.5885 Aggregation-prone
111C S H 0.0100 Aggregation-prone
111D S H 0.0460 Aggregation-prone
111E G H 0.5588 Aggregation-prone
112E Y H 1.6374 Aggregation-prone
112D Y H 1.8237 Aggregation-prone
112C H H 1.0933 Aggregation-prone
112B Y H 1.2496 Aggregation-prone
112A K H 0.2056 Aggregation-prone
112 Y H 0.7119 Aggregation-prone
113 Y H 0.5044 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 A H 0.0220 Aggregation-prone
117 V H 0.0918 Aggregation-prone
118 W H -0.1841 Soluble
119 G H 0.0000 Buried
120 Q H -1.0761 Soluble
121 G H -0.4822 Soluble
122 T H -0.3190 Soluble
123 T H 0.0829 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.1609 Aggregation-prone
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -0.2133 Soluble
129 A H -0.1232 Soluble
130 S H -0.3810 Soluble
131 T H -0.6958 Soluble
132 K H -1.0160 Soluble
133 G H -1.4106 Soluble
134 P H -0.6858 Soluble
135 S H -0.3233 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0496 Soluble
139 L H 0.0000 Buried
140 A H -1.3173 Soluble
141 P H 0.0000 Buried
142 S H -1.3624 Soluble
143 S H -1.1289 Soluble
144 K H -1.5912 Soluble
145 S H 0.0000 Buried
146 T H -0.8431 Soluble
147 S H -0.8377 Soluble
148 G H -0.9084 Soluble
149 G H -0.9235 Soluble
150 T H -0.6302 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 -0.2857 Soluble
159 D H -0.3745 Soluble
160 Y H 0.0000 Buried
161 F H -0.1860 Soluble
162 P H -0.7415 Soluble
163 E H -1.0711 Soluble
164 P H -1.2366 Soluble
165 V H 0.0000 Buried
166 T H -0.9817 Soluble
167 V H -0.5969 Soluble
168 S H -0.4904 Soluble
169 W H 0.0000 Buried
170 N H -0.7645 Soluble
171 S H -0.6570 Soluble
172 G H -0.4801 Soluble
173 A H -0.2250 Soluble
174 L H 0.0537 Aggregation-prone
175 T H -0.1588 Soluble
176 S H -0.2026 Soluble
177 G H -0.2422 Soluble
178 V H 0.2091 Aggregation-prone
179 H H -0.1461 Soluble
180 T H -0.0624 Soluble
181 F H 0.0000 Buried
182 P H -0.4453 Soluble
183 A H -0.1299 Soluble
184 V H 0.0000 Buried
185 L H 0.6946 Aggregation-prone
186 Q H 0.0869 Aggregation-prone
187 S H -0.6305 Soluble
188 S H -0.3508 Soluble
189 G H 0.0000 Buried
190 L H 0.1058 Aggregation-prone
191 Y H 0.2147 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 -0.1874 Soluble
199 V H 0.0000 Buried
200 P H -0.6407 Soluble
201 S H -0.6329 Soluble
202 S H -0.6404 Soluble
203 S H -0.6370 Soluble
204 L H -0.8171 Soluble
205 G H -0.9868 Soluble
206 T H -0.9282 Soluble
207 Q H -1.2973 Soluble
208 T H -1.1274 Soluble
209 Y H 0.0000 Buried
210 I H -1.1510 Soluble
211 C H 0.0000 Buried
212 N H -1.6505 Soluble
213 V H 0.0000 Buried
214 N H -2.6668 Soluble
215 H H 0.0000 Buried
216 K H -3.0285 Soluble
217 P H -1.7617 Soluble
218 S H -1.8431 Soluble
219 N H -2.6903 Soluble
220 T H -2.2627 Soluble
221 K H -2.9633 Soluble
222 V H -1.6725 Soluble
223 D H -2.6139 Soluble
224 K H -1.9831 Soluble
225 K H -2.3305 Soluble
226 V H 0.0000 Buried
227 E H -2.8308 Soluble
228 P H -1.9767 Soluble
229 K H -2.5483 Soluble
230 S H -1.2870 Soluble
1 Q L -1.1019 Soluble
2 S L -0.5325 Soluble
3 V L 0.5370 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.3053 Soluble
6 Q L 0.0000 Buried
7 P L -0.3691 Soluble
8 P L -0.6971 Soluble
9 S L -0.5822 Soluble
11 V L -0.1526 Soluble
12 S L -0.6877 Soluble
13 A L -0.6944 Soluble
14 A L -1.0404 Soluble
15 P L -1.5216 Soluble
16 G L -1.8764 Soluble
17 Q L -2.4966 Soluble
18 K L -2.5802 Soluble
19 V L -0.9405 Soluble
20 T L -0.4077 Soluble
21 I L 0.0000 Buried
22 S L -0.3627 Soluble
23 C L 0.0000 Buried
24 S L -0.2632 Soluble
25 G L -0.2089 Soluble
26 S L -0.4455 Soluble
27 S L -1.0843 Soluble
28 S L -0.9591 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.2048 Soluble
36 N L -1.5054 Soluble
37 N L -0.7557 Soluble
38 Y L -0.2124 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 -0.7118 Soluble
45 L L -0.4416 Soluble
46 P L -0.4863 Soluble
47 G L -0.6816 Soluble
48 T L -0.7044 Soluble
49 A L -0.7334 Soluble
50 P L 0.0000 Buried
51 K L -1.2488 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8176 Soluble
56 D L -0.9775 Soluble
57 N L -1.5675 Soluble
65 N L -2.4656 Soluble
66 K L -2.7353 Soluble
67 R L -2.4655 Soluble
68 P L -0.9846 Soluble
69 S L -0.8702 Soluble
70 G L -0.9873 Soluble
71 I L 0.0000 Buried
72 P L -1.5031 Soluble
74 D L -2.4595 Soluble
75 R L -1.5922 Soluble
76 F L 0.0000 Buried
77 S L -1.5975 Soluble
78 G L -1.4300 Soluble
79 S L -1.2760 Soluble
80 K L -1.1979 Soluble
83 S L -0.8314 Soluble
84 G L -1.0503 Soluble
85 T L -0.9028 Soluble
86 S L -0.6815 Soluble
87 T L 0.0000 Buried
88 T L -0.6331 Soluble
89 L L 0.0000 Buried
90 G L -0.7926 Soluble
91 I L 0.0000 Buried
92 T L -1.8355 Soluble
93 G L -1.5827 Soluble
94 L L 0.0000 Buried
95 Q L -1.9998 Soluble
96 T L -1.1596 Soluble
97 G L -1.0172 Soluble
98 D L 0.0000 Buried
99 E L -1.0117 Soluble
100 A L 0.0000 Buried
101 D L -0.8502 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 0.0776 Aggregation-prone
108 D L 0.0000 Buried
109 S L -0.9082 Soluble
110 R L -1.3382 Soluble
113 L L 0.1749 Aggregation-prone
114 S L 0.1715 Aggregation-prone
115 A L 0.2465 Aggregation-prone
116 V L 0.5989 Aggregation-prone
117 V L 0.0000 Buried
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.1286 Soluble
121 G L -0.9153 Soluble
122 T L 0.0000 Buried
123 K L -0.7316 Soluble
124 L L 0.0000 Buried
125 T L 0.0000 Buried
126 V L 0.0000 Buried
127 L L -0.5331 Soluble
128 G L -0.8655 Soluble
129 Q L -1.1050 Soluble
130 P L -1.3863 Soluble
131 K L -2.5313 Soluble
132 A L -2.0077 Soluble
133 N L -2.1603 Soluble
134 P L 0.0000 Buried
135 T L -0.5382 Soluble
136 V L 0.0000 Buried
137 T L -0.5165 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.4715 Soluble
141 P L 0.0000 Buried
142 S L -1.0394 Soluble
143 S L -1.5056 Soluble
144 E L -2.0885 Soluble
145 E L 0.0000 Buried
146 L L -1.9249 Soluble
147 Q L -2.2652 Soluble
148 A L -1.8324 Soluble
149 N L -2.6060 Soluble
150 K L -2.4646 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 -0.8980 Soluble
159 D L -2.0275 Soluble
160 F L 0.0000 Buried
161 Y L 0.0000 Buried
162 P L 0.0000 Buried
163 G L -0.9963 Soluble
164 A L -0.5320 Soluble
165 V L -0.2905 Soluble
166 T L -0.0580 Soluble
167 V L 0.0830 Aggregation-prone
168 A L -0.5434 Soluble
169 W L 0.0000 Buried
170 K L -1.5378 Soluble
171 A L 0.0000 Buried
172 D L -1.6676 Soluble
173 G L -1.2911 Soluble
174 S L -1.0141 Soluble
175 P L -1.0415 Soluble
176 V L -1.0118 Soluble
177 K L -1.7535 Soluble
178 A L -0.8504 Soluble
179 G L -0.6822 Soluble
180 V L -0.5712 Soluble
181 E L -0.6105 Soluble
182 T L -0.5247 Soluble
183 T L -0.9936 Soluble
184 K L -2.1182 Soluble
185 P L -1.2272 Soluble
186 S L -1.3944 Soluble
187 K L -2.2596 Soluble
188 Q L -2.0045 Soluble
189 S L -1.6722 Soluble
190 N L -2.4733 Soluble
191 N L -2.7485 Soluble
192 K L -2.4425 Soluble
193 Y L -1.5546 Soluble
194 A L 0.0000 Buried
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 -0.5587 Soluble
201 L L -1.1015 Soluble
202 T L -1.7374 Soluble
203 P L -2.4255 Soluble
204 E L -3.1223 Soluble
205 Q L -2.2887 Soluble
206 W L 0.0000 Buried
207 K L -3.1181 Soluble
208 S L -2.4000 Soluble
209 H L -2.4594 Soluble
210 R L -2.6620 Soluble
211 S L -1.7584 Soluble
212 Y L 0.0000 Buried
213 S L -1.1951 Soluble
214 C L 0.0000 Buried
215 Q L -1.1043 Soluble
216 V L 0.0000 Buried
217 T L -0.7745 Soluble
218 H L 0.0000 Buried
219 E L -2.4663 Soluble
220 G L -1.3842 Soluble
221 S L -0.9692 Soluble
222 T L -0.8260 Soluble
223 V L -0.7940 Soluble
224 E L -2.0602 Soluble
225 K L -1.6505 Soluble
226 T L -1.1423 Soluble
227 V L 0.0000 Buried
228 A L -1.5331 Soluble
229 P L -1.6670 Soluble
230 T L -1.5498 Soluble
231 E L -2.2170 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
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 -0.7203 1.9849 CSV PDB
4.5 -0.7538 1.9521 CSV PDB
5.0 -0.7913 1.914 CSV PDB
5.5 -0.8243 1.8745 CSV PDB
6.0 -0.8421 1.8367 CSV PDB
6.5 -0.8363 1.8039 CSV PDB
7.0 -0.8072 1.7772 CSV PDB
7.5 -0.7626 1.7552 CSV PDB
8.0 -0.7095 1.737 CSV PDB
8.5 -0.6504 1.7237 CSV PDB
9.0 -0.587 1.9015 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH