Erenumab / 6umg

A4DAB109_6umg_H_L | Source PDB: 6umg | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6984
Max Score
1.4617
Min Score
-3.2224
Total Score
-308.68
Score CDR
-0.3488
Score non-CDR
-0.7533

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCQSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE 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 -3.2224
Maximum Score 1.4617
Average Score -0.6984
Total Score -308.6831

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

Index Residue Chain A4D Score Classification
1 Q H -0.7041 Soluble
2 V H 0.7227 Aggregation-prone
3 Q H -0.1702 Soluble
4 L H 0.0000 Buried
5 V H 0.4630 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5215 Soluble
8 G H -0.8565 Soluble
9 G H -0.2988 Soluble
11 G H 0.5225 Aggregation-prone
12 V H 1.4617 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.2715 Soluble
15 P H -1.7086 Soluble
16 G H -2.0146 Soluble
17 R H -2.6336 Soluble
18 S H -1.8444 Soluble
19 L H -1.0240 Soluble
20 R H -1.4780 Soluble
21 L H 0.0000 Buried
22 S H -0.3511 Soluble
23 C H 0.0000 Buried
24 A H -0.2353 Soluble
25 A H 0.0000 Buried
26 S H -0.2744 Soluble
27 G H -0.2467 Soluble
28 F H 0.0632 Aggregation-prone
29 T H -0.2678 Soluble
30 F H 0.0000 Buried
35 S H -1.0108 Soluble
36 S H -0.1971 Soluble
37 F H 0.1218 Aggregation-prone
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 -0.7972 Soluble
45 A H -1.2084 Soluble
46 P H -1.1496 Soluble
47 G H -1.9214 Soluble
48 K H -2.4840 Soluble
49 G H -1.5071 Soluble
50 L H 0.0000 Buried
51 E H -0.9190 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 -0.6191 Soluble
59 D H -1.7627 Soluble
63 G H -1.3780 Soluble
64 S H -0.8095 Soluble
65 I H -0.5823 Soluble
66 K H -1.0369 Soluble
67 Y H -0.6002 Soluble
67A S H -0.8663 Soluble
68 V H -1.0284 Soluble
69 D H -2.2773 Soluble
70 S H -1.5812 Soluble
71 V H 0.0000 Buried
72 K H -2.5719 Soluble
74 G H -1.7709 Soluble
75 R H -1.3648 Soluble
76 F H 0.0000 Buried
77 T H -0.9085 Soluble
78 I H 0.0000 Buried
79 S H -0.6970 Soluble
80 R H -1.1125 Soluble
81 D H -1.6914 Soluble
82 N H -2.0070 Soluble
83 S H -1.6351 Soluble
84 K H -2.4079 Soluble
85 N H -1.8091 Soluble
86 T H -1.0377 Soluble
87 L H 0.0000 Buried
88 F H -0.2833 Soluble
89 L H 0.0000 Buried
90 Q H -0.8878 Soluble
91 M H 0.0000 Buried
92 N H -1.6609 Soluble
93 S H -1.6250 Soluble
94 L H 0.0000 Buried
95 R H -2.1982 Soluble
96 A H -1.5972 Soluble
97 E H -2.1658 Soluble
98 D H 0.0000 Buried
99 T H -0.5619 Soluble
100 A H 0.0000 Buried
101 V H 0.0552 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 -0.1255 Soluble
107 D H 0.0000 Buried
108 R H -0.1373 Soluble
109 L H -0.0178 Soluble
110 N H -0.1482 Soluble
111 Y H 0.1383 Aggregation-prone
111A Y H 0.5623 Aggregation-prone
111B D H -1.1961 Soluble
111C S H -0.5684 Soluble
111D S H -0.1467 Soluble
111E G H 0.0688 Aggregation-prone
112E Y H 1.0657 Aggregation-prone
112D Y H 1.0395 Aggregation-prone
112C H H -0.4037 Soluble
112B Y H 0.0000 Buried
112A K H -1.0723 Soluble
112 Y H 0.0000 Buried
113 Y H 0.1543 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 A H -0.0708 Soluble
117 V H 0.1455 Aggregation-prone
118 W H -0.1012 Soluble
119 G H 0.0000 Buried
120 Q H -1.1038 Soluble
121 G H -0.4616 Soluble
122 T H -0.2969 Soluble
123 T H 0.0938 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.1669 Aggregation-prone
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -0.6090 Soluble
129 A H -0.3115 Soluble
130 S H -0.3875 Soluble
131 T H -0.8098 Soluble
132 K H -1.1262 Soluble
133 G H -1.2697 Soluble
134 P H 0.0000 Buried
135 S H -0.1944 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0907 Soluble
139 L H 0.0000 Buried
140 A H -1.3157 Soluble
141 P H -0.8283 Soluble
142 S H -0.6639 Soluble
143 S H -0.5811 Soluble
144 G H -0.6315 Soluble
145 T H -0.4759 Soluble
146 A H -0.3222 Soluble
147 A H -0.0626 Soluble
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.3268 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -1.0449 Soluble
158 E H -1.8992 Soluble
159 P H -1.5062 Soluble
160 V H -0.9647 Soluble
161 T H -0.6376 Soluble
162 V H -0.2775 Soluble
163 S H -0.3486 Soluble
164 W H 0.0000 Buried
165 N H -0.5423 Soluble
166 S H -0.4339 Soluble
167 G H -0.5907 Soluble
168 A H -0.1939 Soluble
169 L H -0.0255 Soluble
170 T H -0.2237 Soluble
171 S H -0.2542 Soluble
172 G H -0.3440 Soluble
173 V H 0.2429 Aggregation-prone
174 H H -0.1906 Soluble
175 T H 0.0554 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.3756 Soluble
178 A H -0.3907 Soluble
179 V H 0.0000 Buried
180 L H -0.2067 Soluble
181 Q H -0.3961 Soluble
182 S H -0.6828 Soluble
183 S H -0.3377 Soluble
184 G H -0.3020 Soluble
185 L H -0.3248 Soluble
186 Y H 0.0000 Buried
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.2457 Aggregation-prone
192 V H 0.0000 Buried
193 T H -0.1317 Soluble
194 V H 0.0000 Buried
195 P H -0.4782 Soluble
196 S H -0.5272 Soluble
197 S H -0.5642 Soluble
198 S H -0.5339 Soluble
199 L H -0.6581 Soluble
200 G H -0.9065 Soluble
201 T H -0.6647 Soluble
202 Q H -0.8764 Soluble
203 T H -0.9548 Soluble
204 Y H 0.0000 Buried
205 I H -0.8431 Soluble
206 C H 0.0000 Buried
207 N H -1.3282 Soluble
208 V H 0.0000 Buried
209 N H -1.7666 Soluble
210 H H 0.0000 Buried
211 K H -2.9041 Soluble
212 P H -1.8689 Soluble
213 S H -1.8301 Soluble
214 N H -2.5830 Soluble
215 T H -2.0301 Soluble
216 K H -2.6208 Soluble
217 V H -1.4543 Soluble
218 D H -2.3790 Soluble
219 K H -1.7499 Soluble
220 K H -2.0086 Soluble
221 V H 0.0000 Buried
222 E H -2.6619 Soluble
223 P H -2.0061 Soluble
224 K H -2.3136 Soluble
225 S H -1.0060 Soluble
226 C H 0.2838 Aggregation-prone
1 Q L -1.0644 Soluble
2 S L -0.4638 Soluble
3 V L 0.4723 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.3363 Soluble
6 Q L 0.0000 Buried
7 P L -0.3767 Soluble
8 P L -0.5091 Soluble
9 S L -0.4951 Soluble
11 V L -0.1792 Soluble
12 S L -0.2154 Soluble
13 A L 0.0000 Buried
14 A L -0.9910 Soluble
15 P L -1.4233 Soluble
16 G L -1.8665 Soluble
17 Q L -2.5056 Soluble
18 K L -2.5399 Soluble
19 V L 0.0000 Buried
20 T L -0.5107 Soluble
21 I L 0.0000 Buried
22 S L -0.3337 Soluble
23 C L 0.0000 Buried
24 S L -0.3514 Soluble
25 G L -0.2449 Soluble
26 S L -0.5048 Soluble
27 S L -1.0451 Soluble
28 S L -1.0497 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.1917 Soluble
36 N L -1.3954 Soluble
37 N L 0.0000 Buried
38 Y L 0.0820 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 -0.2313 Soluble
46 P L -0.4451 Soluble
47 G L -0.6093 Soluble
48 T L -0.5688 Soluble
49 A L -0.5736 Soluble
50 P L 0.0000 Buried
51 K L -0.7755 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.9376 Soluble
56 D L -0.9715 Soluble
57 N L -1.2367 Soluble
65 N L -2.2574 Soluble
66 K L -2.9029 Soluble
67 R L -2.4527 Soluble
68 P L -1.0273 Soluble
69 S L -0.7968 Soluble
70 G L -0.8496 Soluble
71 I L -1.1188 Soluble
72 P L -1.3420 Soluble
74 D L -2.4038 Soluble
75 R L -1.6476 Soluble
76 F L 0.0000 Buried
77 S L -1.4608 Soluble
78 G L -1.3151 Soluble
79 S L -1.1413 Soluble
80 K L -1.0276 Soluble
83 S L -0.7893 Soluble
84 G L -1.0417 Soluble
85 T L -0.9089 Soluble
86 S L -0.6879 Soluble
87 T L 0.0000 Buried
88 T L -0.5405 Soluble
89 L L 0.0000 Buried
90 G L -0.7808 Soluble
91 I L 0.0000 Buried
92 T L -1.8615 Soluble
93 G L -1.6252 Soluble
94 L L 0.0000 Buried
95 Q L -1.8309 Soluble
96 T L -1.1518 Soluble
97 G L -1.0122 Soluble
98 D L 0.0000 Buried
99 E L -1.0240 Soluble
100 A L 0.0000 Buried
101 D L -0.7659 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 -1.3004 Soluble
110 R L -1.7199 Soluble
113 L L -0.6508 Soluble
114 S L -0.7876 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 -1.1067 Soluble
121 G L -0.8900 Soluble
122 T L 0.0000 Buried
123 K L -0.7548 Soluble
124 L L 0.0000 Buried
125 T L 0.0000 Buried
126 V L 0.0000 Buried
127 L L -0.5204 Soluble
128 G L -0.7450 Soluble
129 Q L -1.1783 Soluble
130 P L -1.4651 Soluble
131 K L -2.5062 Soluble
132 A L -1.9789 Soluble
133 N L -2.0593 Soluble
134 P L 0.0000 Buried
135 T L -0.5868 Soluble
136 V L 0.0000 Buried
137 T L -0.4866 Soluble
138 L L -0.4393 Soluble
139 F L 0.0000 Buried
140 P L -0.2571 Soluble
141 P L 0.0000 Buried
142 S L -1.0421 Soluble
143 S L -1.4643 Soluble
144 E L -2.1184 Soluble
145 E L 0.0000 Buried
146 L L -1.6778 Soluble
147 Q L -2.1313 Soluble
148 A L -1.6985 Soluble
149 N L -2.3468 Soluble
150 K L -2.1451 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 -0.7946 Soluble
159 D L -1.5551 Soluble
160 F L 0.0000 Buried
161 Y L 0.0000 Buried
162 P L 0.0000 Buried
163 G L 0.0000 Buried
164 A L -0.4730 Soluble
165 V L -0.2961 Soluble
166 T L -0.0745 Soluble
167 V L 0.0279 Aggregation-prone
168 A L -0.4567 Soluble
169 W L 0.0000 Buried
170 K L -1.1694 Soluble
171 A L 0.0000 Buried
172 D L -1.4554 Soluble
173 G L -1.1518 Soluble
174 S L -0.9188 Soluble
175 P L -0.9795 Soluble
176 V L -0.9140 Soluble
177 K L -1.7644 Soluble
178 A L -0.9445 Soluble
179 G L -0.8803 Soluble
180 V L -0.6650 Soluble
181 E L -1.0844 Soluble
182 T L -0.7599 Soluble
183 T L 0.0000 Buried
184 K L -2.0823 Soluble
185 P L -1.1917 Soluble
186 S L -1.4818 Soluble
187 K L -2.5574 Soluble
188 Q L -1.9247 Soluble
189 S L -1.6838 Soluble
190 N L -2.4436 Soluble
191 N L -2.5948 Soluble
192 K L -2.3660 Soluble
193 Y L -1.5901 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 -0.6294 Soluble
201 L L 0.0000 Buried
202 T L -1.8143 Soluble
203 P L -2.3580 Soluble
204 E L -3.2209 Soluble
205 Q L -2.7058 Soluble
206 W L 0.0000 Buried
207 K L -3.2224 Soluble
208 S L -2.5260 Soluble
209 H L -2.5036 Soluble
210 R L -2.8164 Soluble
211 S L -1.8262 Soluble
212 Y L 0.0000 Buried
213 S L -1.1592 Soluble
214 C L 0.0000 Buried
215 Q L -1.0818 Soluble
216 V L 0.0000 Buried
217 T L -0.7370 Soluble
218 H L 0.0000 Buried
219 E L -2.4580 Soluble
220 G L -1.3627 Soluble
221 S L -0.9436 Soluble
222 T L -0.7597 Soluble
223 V L -0.8380 Soluble
224 E L -2.2811 Soluble
225 K L -2.0992 Soluble
226 T L -1.3668 Soluble
227 V L -0.7882 Soluble
228 A L -1.5387 Soluble
229 P L -1.6520 Soluble
230 T L -1.5432 Soluble
231 E L -2.0551 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 -0.7289 2.053 CSV PDB
4.5 -0.765 2.0206 CSV PDB
5.0 -0.8055 1.9801 CSV PDB
5.5 -0.8419 1.9366 CSV PDB
6.0 -0.8636 1.8946 CSV PDB
6.5 -0.8618 1.8582 CSV PDB
7.0 -0.8369 1.8294 CSV PDB
7.5 -0.7972 1.8269 CSV PDB
8.0 -0.7496 1.8418 CSV PDB
8.5 -0.6961 1.8586 CSV PDB
9.0 -0.6378 1.8781 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH