Erenumab / 6umh

A4DAB109_6umh_h_l | Source PDB: 6umh | Chains: h, l | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7092
Max Score
1.5696
Min Score
-3.079
Total Score
-315.58
Score CDR
-0.2998
Score non-CDR
-0.773

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE 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 -3.079
Maximum Score 1.5696
Average Score -0.7092
Total Score -315.5792

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

Index Residue Chain A4D Score Classification
1 Q h -0.9592 Soluble
2 V h 0.1597 Aggregation-prone
3 Q h -0.5495 Soluble
4 L h 0.0000 Buried
5 V h 0.7095 Aggregation-prone
6 E h 0.0000 Buried
7 S h -0.5067 Soluble
8 G h -0.9792 Soluble
9 G h -0.3711 Soluble
11 G h 0.5596 Aggregation-prone
12 V h 1.5696 Aggregation-prone
13 V h -0.0247 Soluble
14 Q h -1.2657 Soluble
15 P h -1.8296 Soluble
16 G h -2.1200 Soluble
17 R h -2.6711 Soluble
18 S h -2.0209 Soluble
19 L h -1.2605 Soluble
20 R h -2.1148 Soluble
21 L h 0.0000 Buried
22 S h -0.4460 Soluble
23 C h 0.0000 Buried
24 A h -0.1297 Soluble
25 A h 0.0000 Buried
26 S h -0.3325 Soluble
27 G h -0.4330 Soluble
28 F h -0.0578 Soluble
29 T h -0.1218 Soluble
30 F h 0.0000 Buried
35 S h -0.9743 Soluble
36 S h -0.2428 Soluble
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 -0.8198 Soluble
45 A h -1.1713 Soluble
46 P h -1.1179 Soluble
47 G h -1.9614 Soluble
48 K h -2.4879 Soluble
49 G h -1.5257 Soluble
50 L h 0.0000 Buried
51 E h -1.0136 Soluble
52 W h 0.0000 Buried
53 V h 0.0000 Buried
54 A h 0.0000 Buried
55 V h 0.0000 Buried
56 I h 0.0000 Buried
57 S h 0.0000 Buried
58 F h -0.6152 Soluble
59 D h -1.5138 Soluble
63 G h -1.2428 Soluble
64 S h -0.6832 Soluble
65 I h -0.2631 Soluble
66 K h -0.6645 Soluble
67 Y h -0.3193 Soluble
67A S h -0.6778 Soluble
68 V h -0.9209 Soluble
69 D h -2.2480 Soluble
70 S h -1.7131 Soluble
71 V h 0.0000 Buried
72 K h -2.4861 Soluble
74 G h -1.7233 Soluble
75 R h -1.4501 Soluble
76 F h -1.0526 Soluble
77 T h -0.9067 Soluble
78 I h 0.0000 Buried
79 S h -0.5070 Soluble
80 R h -1.1074 Soluble
81 D h -1.6814 Soluble
82 N h -1.8827 Soluble
83 S h -1.5707 Soluble
84 K h -2.3491 Soluble
85 N h -1.7000 Soluble
86 T h 0.0000 Buried
87 L h 0.0000 Buried
88 F h -0.5207 Soluble
89 L h 0.0000 Buried
90 Q h -1.2625 Soluble
91 M h 0.0000 Buried
92 N h -1.9179 Soluble
93 S h -1.8020 Soluble
94 L h 0.0000 Buried
95 R h -2.3421 Soluble
96 A h -1.6867 Soluble
97 E h -2.2356 Soluble
98 D h 0.0000 Buried
99 T h -0.5817 Soluble
100 A h 0.0000 Buried
101 V h 0.0850 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 -0.2258 Soluble
107 D h 0.0000 Buried
108 R h -0.1497 Soluble
109 L h -0.1583 Soluble
110 N h -0.0193 Soluble
111 Y h 0.3609 Aggregation-prone
111A Y h 0.7455 Aggregation-prone
111B D h -1.0182 Soluble
111C S h -0.5671 Soluble
111D S h -0.0757 Soluble
111E G h 0.3937 Aggregation-prone
112E Y h 1.3136 Aggregation-prone
112D Y h 1.1546 Aggregation-prone
112C H h -0.2252 Soluble
112B Y h -0.3684 Soluble
112A K h -0.9619 Soluble
112 Y h -0.0958 Soluble
113 Y h 0.4067 Aggregation-prone
114 G h 0.0000 Buried
115 M h 0.0000 Buried
116 A h -0.0749 Soluble
117 V h -0.0048 Soluble
118 W h -0.1853 Soluble
119 G h 0.0000 Buried
120 Q h -1.0066 Soluble
121 G h 0.0000 Buried
122 T h -0.2221 Soluble
123 T h 0.1284 Aggregation-prone
124 V h 0.0000 Buried
125 T h 0.1961 Aggregation-prone
126 V h 0.0000 Buried
127 S h -0.2658 Soluble
128 S h -0.3321 Soluble
129 A h -0.1624 Soluble
130 S h -0.4098 Soluble
131 T h -0.7339 Soluble
132 K h -1.0801 Soluble
133 G h -1.3551 Soluble
134 P h 0.0000 Buried
135 S h -0.3282 Soluble
136 V h 0.0000 Buried
137 F h 0.0000 Buried
138 P h -1.0340 Soluble
139 L h 0.0000 Buried
140 A h -1.3322 Soluble
141 P h 0.0000 Buried
142 S h -1.3194 Soluble
143 S h -0.8377 Soluble
144 K h -1.3853 Soluble
145 S h -0.6258 Soluble
146 T h -0.7815 Soluble
147 S h -0.8248 Soluble
148 G h -0.9100 Soluble
149 G h -0.9216 Soluble
150 T h -0.6592 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 -0.2685 Soluble
159 D h -0.3230 Soluble
160 Y h 0.0000 Buried
161 F h -0.2030 Soluble
162 P h -0.7595 Soluble
163 E h -1.0475 Soluble
164 P h -1.1584 Soluble
165 V h 0.0000 Buried
166 T h -0.8574 Soluble
167 V h 0.0000 Buried
168 S h -0.4822 Soluble
169 W h 0.0000 Buried
170 N h -0.7286 Soluble
171 S h -0.6502 Soluble
172 G h -0.4937 Soluble
173 A h -0.2127 Soluble
174 L h 0.0465 Aggregation-prone
175 T h -0.1558 Soluble
176 S h -0.1987 Soluble
177 G h -0.2233 Soluble
178 V h 0.1855 Aggregation-prone
179 H h -0.1559 Soluble
180 T h -0.0925 Soluble
181 F h 0.0000 Buried
182 P h -0.3811 Soluble
183 A h -0.0473 Soluble
184 V h 0.0000 Buried
185 L h 0.9180 Aggregation-prone
186 Q h 0.1741 Aggregation-prone
187 S h -0.5996 Soluble
188 S h -0.1116 Soluble
189 G h 0.0000 Buried
190 L h 0.1545 Aggregation-prone
191 Y h 0.3180 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 -0.1857 Soluble
199 V h 0.0000 Buried
200 P h -0.6560 Soluble
201 S h -0.6323 Soluble
202 S h -0.6300 Soluble
203 S h -0.6085 Soluble
204 L h -0.7732 Soluble
205 G h -0.9470 Soluble
206 T h -0.6943 Soluble
207 Q h -1.1912 Soluble
208 T h -1.0681 Soluble
209 Y h 0.0000 Buried
210 I h -1.2570 Soluble
211 C h 0.0000 Buried
212 N h -1.6131 Soluble
213 V h 0.0000 Buried
214 N h -2.2161 Soluble
215 H h 0.0000 Buried
216 K h -2.9365 Soluble
217 P h -1.7633 Soluble
218 S h -1.8243 Soluble
219 N h -2.6550 Soluble
220 T h -2.1593 Soluble
221 K h -2.8100 Soluble
222 V h -1.6546 Soluble
223 D h -2.6176 Soluble
224 K h -2.1409 Soluble
225 K h -2.5273 Soluble
226 V h 0.0000 Buried
227 E h -2.8613 Soluble
228 P h -1.9937 Soluble
229 K h -2.5491 Soluble
230 S h -1.2791 Soluble
2 S l 0.0081 Aggregation-prone
3 V l 0.7457 Aggregation-prone
4 L l 0.0000 Buried
5 T l -0.1893 Soluble
6 Q l 0.0000 Buried
7 P l -0.4256 Soluble
8 P l -0.5580 Soluble
9 S l -0.6691 Soluble
11 V l -0.3172 Soluble
12 S l -0.7868 Soluble
13 A l -0.7025 Soluble
14 A l -0.9296 Soluble
15 P l -1.2625 Soluble
16 G l -1.6653 Soluble
17 Q l -2.3324 Soluble
18 K l -2.5145 Soluble
19 V l -0.9158 Soluble
20 T l -0.3909 Soluble
21 I l 0.0000 Buried
22 S l -0.3912 Soluble
23 C l 0.0000 Buried
24 S l -0.3238 Soluble
25 G l -0.2724 Soluble
26 S l -0.4820 Soluble
27 S l -1.1023 Soluble
28 S l -1.0915 Soluble
29 N l 0.0000 Buried
30 I l 0.0000 Buried
35 G l -1.1358 Soluble
36 N l -1.4215 Soluble
37 N l -0.4137 Soluble
38 Y l 0.4575 Aggregation-prone
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 -0.5255 Soluble
46 P l -0.5931 Soluble
47 G l -0.6710 Soluble
48 T l -0.6850 Soluble
49 A l -0.6353 Soluble
50 P l 0.0000 Buried
51 K l -0.9429 Soluble
52 L l 0.0000 Buried
53 L l 0.0000 Buried
54 I l 0.0000 Buried
55 Y l -0.6280 Soluble
56 D l -0.6371 Soluble
57 N l -1.1837 Soluble
65 N l -2.1806 Soluble
66 K l -2.3980 Soluble
67 R l -2.0807 Soluble
68 P l -0.8499 Soluble
69 S l -0.7359 Soluble
70 G l -0.8437 Soluble
71 I l -1.0349 Soluble
72 P l -1.4967 Soluble
74 D l -2.5189 Soluble
75 R l -1.9829 Soluble
76 F l 0.0000 Buried
77 S l -1.5345 Soluble
78 G l -1.3127 Soluble
79 S l -1.2023 Soluble
80 K l -1.1623 Soluble
83 S l -0.8701 Soluble
84 G l -1.0715 Soluble
85 T l -0.9274 Soluble
86 S l -0.7148 Soluble
87 T l 0.0000 Buried
88 T l -0.6288 Soluble
89 L l 0.0000 Buried
90 G l -0.6296 Soluble
91 I l 0.0000 Buried
92 T l -1.8438 Soluble
93 G l -1.4965 Soluble
94 L l 0.0000 Buried
95 Q l -1.4353 Soluble
96 T l -0.8966 Soluble
97 G l -0.8794 Soluble
98 D l 0.0000 Buried
99 E l -1.0976 Soluble
100 A l 0.0000 Buried
101 D l -0.8121 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 -0.1704 Soluble
108 D l 0.0000 Buried
109 S l -1.1576 Soluble
110 R l -1.6235 Soluble
113 L l -0.3681 Soluble
114 S l -0.2403 Soluble
115 A l 0.0000 Buried
116 V l 0.0000 Buried
117 V l 0.0000 Buried
118 F l 0.0000 Buried
119 G l 0.0000 Buried
120 G l -0.9921 Soluble
121 G l -0.9349 Soluble
122 T l 0.0000 Buried
123 K l -1.0350 Soluble
124 L l 0.0000 Buried
125 T l -0.4413 Soluble
126 V l 0.0000 Buried
127 L l -0.5980 Soluble
128 G l -0.7839 Soluble
129 Q l -1.1894 Soluble
130 P l -1.3605 Soluble
131 K l -2.4106 Soluble
132 A l -1.9003 Soluble
133 N l -2.1247 Soluble
134 P l -1.0031 Soluble
135 T l -0.4985 Soluble
136 V l 0.0000 Buried
137 T l -0.5231 Soluble
138 L l 0.0000 Buried
139 F l 0.0000 Buried
140 P l -0.4614 Soluble
141 P l -0.5634 Soluble
142 S l -1.1986 Soluble
143 S l -1.7128 Soluble
144 E l -2.5393 Soluble
145 E l 0.0000 Buried
146 L l -2.0607 Soluble
147 Q l -2.4039 Soluble
148 A l -1.9236 Soluble
149 N l -2.6471 Soluble
150 K l -2.4860 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 -0.8198 Soluble
159 D l -1.8278 Soluble
160 F l 0.0000 Buried
161 Y l 0.0000 Buried
162 P l 0.0000 Buried
163 G l -1.0414 Soluble
164 A l -0.5872 Soluble
165 V l -0.2969 Soluble
166 T l -0.0653 Soluble
167 V l 0.0441 Aggregation-prone
168 A l -0.5320 Soluble
169 W l 0.0000 Buried
170 K l -1.3487 Soluble
171 A l 0.0000 Buried
172 D l -1.5096 Soluble
173 G l -1.1748 Soluble
174 S l -0.9181 Soluble
175 P l -0.9622 Soluble
176 V l -0.9534 Soluble
177 K l -1.7353 Soluble
178 A l -0.8661 Soluble
179 G l -0.7183 Soluble
180 V l -0.5721 Soluble
181 E l -0.8023 Soluble
182 T l -0.5428 Soluble
183 T l -0.9597 Soluble
184 K l -2.1587 Soluble
185 P l -1.2993 Soluble
186 S l -1.5370 Soluble
187 K l -2.5253 Soluble
188 Q l -2.1427 Soluble
189 S l -1.7533 Soluble
190 N l -2.5206 Soluble
191 N l -2.7973 Soluble
192 K l -2.5062 Soluble
193 Y l -1.6530 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 -0.6186 Soluble
201 L l 0.0000 Buried
202 T l -1.7834 Soluble
203 P l -2.4121 Soluble
204 E l -3.0790 Soluble
205 Q l -2.2681 Soluble
206 W l 0.0000 Buried
207 K l -3.0645 Soluble
208 S l -2.3751 Soluble
209 H l -2.3634 Soluble
210 R l -2.5847 Soluble
211 S l -1.8412 Soluble
212 Y l 0.0000 Buried
213 S l 0.0000 Buried
214 C l 0.0000 Buried
215 Q l -1.1712 Soluble
216 V l 0.0000 Buried
217 T l -0.8416 Soluble
218 H l 0.0000 Buried
219 E l -2.4274 Soluble
220 G l -1.3861 Soluble
221 S l -1.0905 Soluble
222 T l -0.9553 Soluble
223 V l -0.9958 Soluble
224 E l -2.1701 Soluble
225 K l -1.7260 Soluble
226 T l -1.1091 Soluble
227 V l 0.0000 Buried
228 A l -1.5391 Soluble
229 P l -1.7160 Soluble
230 T l -1.6257 Soluble
231 E l -2.1685 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
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 -0.7563 1.9201 CSV PDB
4.5 -0.7919 1.8859 CSV PDB
5.0 -0.8316 1.8436 CSV PDB
5.5 -0.8667 1.7987 CSV PDB
6.0 -0.8865 1.7562 CSV PDB
6.5 -0.8823 1.721 CSV PDB
7.0 -0.8541 1.716 CSV PDB
7.5 -0.8106 1.7598 CSV PDB
8.0 -0.7587 1.8066 CSV PDB
8.5 -0.7008 1.8553 CSV PDB
9.0 -0.6381 1.9061 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH