Erenumab / 6umi

A4DAB109_6umi_H_L | Source PDB: 6umi | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7068
Max Score
1.4437
Min Score
-3.1386
Total Score
-311.71
Score CDR
-0.2914
Score non-CDR
-0.7722

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSQSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.1386
Maximum Score 1.4437
Average Score -0.7068
Total Score -311.7069

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

Index Residue Chain A4D Score Classification
1 Q H -1.1675 Soluble
2 V H -0.2610 Soluble
3 Q H -0.9679 Soluble
4 L H 0.0000 Buried
5 V H 0.4285 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4815 Soluble
8 G H -0.8358 Soluble
9 G H -0.3529 Soluble
11 G H 0.1653 Aggregation-prone
12 V H 0.6820 Aggregation-prone
13 V H -0.2355 Soluble
14 Q H -1.1141 Soluble
15 P H -1.7835 Soluble
16 G H -2.0992 Soluble
17 R H -2.5536 Soluble
18 S H -1.9997 Soluble
19 L H -1.1182 Soluble
20 R H -1.5403 Soluble
21 L H 0.0000 Buried
22 S H -0.2729 Soluble
23 C H 0.0000 Buried
24 A H -0.2976 Soluble
25 A H 0.0000 Buried
26 S H -0.5931 Soluble
27 G H -0.6821 Soluble
28 F H -0.2175 Soluble
29 T H -0.1657 Soluble
30 F H 0.0000 Buried
35 S H -0.8639 Soluble
36 S H 0.1184 Aggregation-prone
37 F H 0.0990 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 -0.8213 Soluble
45 A H -1.1596 Soluble
46 P H -0.9547 Soluble
47 G H -1.6532 Soluble
48 K H -2.2449 Soluble
49 G H -1.4139 Soluble
50 L H 0.0000 Buried
51 E H -0.9993 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 -0.3059 Soluble
59 D H -1.5436 Soluble
63 G H -1.0652 Soluble
64 S H -0.5717 Soluble
65 I H -0.2252 Soluble
66 K H -0.7231 Soluble
67 Y H -0.3784 Soluble
67A S H -0.8512 Soluble
68 V H -0.9535 Soluble
69 D H -2.2480 Soluble
70 S H -1.7178 Soluble
71 V H 0.0000 Buried
72 K H -2.5604 Soluble
74 G H -1.8475 Soluble
75 R H -1.6658 Soluble
76 F H 0.0000 Buried
77 T H -1.0048 Soluble
78 I H 0.0000 Buried
79 S H -0.6618 Soluble
80 R H -1.0845 Soluble
81 D H -1.6811 Soluble
82 N H -1.8814 Soluble
83 S H -1.5793 Soluble
84 K H -2.4177 Soluble
85 N H -1.8373 Soluble
86 T H -1.0154 Soluble
87 L H 0.0000 Buried
88 F H -0.2811 Soluble
89 L H 0.0000 Buried
90 Q H -1.0915 Soluble
91 M H 0.0000 Buried
92 N H -2.2805 Soluble
93 S H -1.9232 Soluble
94 L H 0.0000 Buried
95 R H -2.4257 Soluble
96 A H -1.5848 Soluble
97 E H -2.2169 Soluble
98 D H 0.0000 Buried
99 T H -0.6545 Soluble
100 A H 0.0000 Buried
101 V H 0.1612 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 -0.2217 Soluble
107 D H 0.0000 Buried
108 R H -0.1740 Soluble
109 L H 0.0248 Aggregation-prone
110 N H 0.1515 Aggregation-prone
111 Y H 0.3652 Aggregation-prone
111A Y H 0.8547 Aggregation-prone
111B D H -0.7604 Soluble
111C S H 0.0000 Buried
111D S H -0.1420 Soluble
111E G H 0.1857 Aggregation-prone
112E Y H 1.4437 Aggregation-prone
112D Y H 1.2556 Aggregation-prone
112C H H -0.2668 Soluble
112B Y H 0.0000 Buried
112A K H -1.2238 Soluble
112 Y H 0.0000 Buried
113 Y H -0.1806 Soluble
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 A H -0.1095 Soluble
117 V H -0.0853 Soluble
118 W H -0.3045 Soluble
119 G H 0.0000 Buried
120 Q H -1.1438 Soluble
121 G H -0.4641 Soluble
122 T H -0.2509 Soluble
123 T H 0.0675 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0756 Soluble
126 V H 0.0000 Buried
127 S H -0.5725 Soluble
128 S H -0.6084 Soluble
129 A H -0.3256 Soluble
130 S H -0.4359 Soluble
131 T H -0.5554 Soluble
132 K H -1.1319 Soluble
133 G H -1.3447 Soluble
134 P H 0.0000 Buried
135 S H -0.2883 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1127 Soluble
139 L H 0.0000 Buried
140 A H -1.3152 Soluble
141 P H 0.0000 Buried
142 S H -0.9222 Soluble
143 S H -0.3677 Soluble
144 G H -0.7900 Soluble
145 G H -0.8760 Soluble
146 T H -0.6363 Soluble
147 A H -0.3857 Soluble
148 A H -0.0988 Soluble
149 L H 0.0000 Buried
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H -0.3055 Soluble
155 D H -0.3499 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H -0.7035 Soluble
159 E H -0.9115 Soluble
160 P H -1.0507 Soluble
161 V H -0.7574 Soluble
162 T H -0.5366 Soluble
163 V H -0.1549 Soluble
164 S H -0.3817 Soluble
165 W H 0.0000 Buried
166 N H -0.8749 Soluble
167 S H -0.7329 Soluble
168 G H -0.5862 Soluble
169 A H -0.2599 Soluble
170 L H -0.0155 Soluble
171 T H -0.1897 Soluble
172 S H -0.2447 Soluble
173 G H -0.3014 Soluble
174 V H 0.1469 Aggregation-prone
175 H H -0.1286 Soluble
176 T H -0.0259 Soluble
177 F H 0.0000 Buried
178 P H -0.2051 Soluble
179 A H 0.0219 Aggregation-prone
180 V H 0.0000 Buried
181 L H 1.1988 Aggregation-prone
182 Q H 0.2417 Aggregation-prone
183 S H -0.1723 Soluble
184 S H -0.1737 Soluble
185 G H 0.0572 Aggregation-prone
186 L H 0.0465 Aggregation-prone
187 Y H 0.3072 Aggregation-prone
188 S H 0.0000 Buried
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.2063 Soluble
195 V H 0.0000 Buried
196 P H -0.5389 Soluble
197 S H -0.5852 Soluble
198 S H -0.5760 Soluble
199 S H -0.5816 Soluble
200 L H -0.7122 Soluble
201 G H -0.9207 Soluble
202 T H -0.6963 Soluble
203 Q H -1.1744 Soluble
204 T H -1.1817 Soluble
205 Y H 0.0000 Buried
206 I H -1.4069 Soluble
207 C H 0.0000 Buried
208 N H -1.5161 Soluble
209 V H 0.0000 Buried
210 N H -1.7545 Soluble
211 H H 0.0000 Buried
212 K H -2.7672 Soluble
213 P H -1.7112 Soluble
214 S H -1.8068 Soluble
215 N H -2.5007 Soluble
216 T H -2.0017 Soluble
217 K H -2.6580 Soluble
218 V H -1.7326 Soluble
219 D H -2.6011 Soluble
220 K H -2.3699 Soluble
221 K H -2.6511 Soluble
222 V H 0.0000 Buried
223 E H -2.9428 Soluble
224 P H -2.0097 Soluble
225 K H -2.4460 Soluble
226 S H -1.3484 Soluble
1 Q L -1.0297 Soluble
2 S L -0.3410 Soluble
3 V L 0.6458 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.2212 Soluble
6 Q L 0.0000 Buried
7 P L -0.5736 Soluble
8 P L -0.8759 Soluble
9 S L -0.9328 Soluble
11 V L -0.3518 Soluble
12 S L -0.4747 Soluble
13 A L 0.0000 Buried
14 A L -0.8369 Soluble
15 P L -1.3876 Soluble
16 G L -1.9008 Soluble
17 Q L -2.5235 Soluble
18 K L -2.6251 Soluble
19 V L -1.0314 Soluble
20 T L -0.4019 Soluble
21 I L 0.0000 Buried
22 S L -0.3518 Soluble
23 C L 0.0000 Buried
24 S L -0.2714 Soluble
25 G L -0.2024 Soluble
26 S L -0.4454 Soluble
27 S L -1.0832 Soluble
28 S L -1.0089 Soluble
29 N L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.1969 Soluble
36 N L -1.4585 Soluble
37 N L -0.6979 Soluble
38 Y L 0.0664 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 -0.2166 Soluble
46 P L -0.5600 Soluble
47 G L -0.6578 Soluble
48 T L -0.6311 Soluble
49 A L -0.6058 Soluble
50 P L 0.0000 Buried
51 K L -0.9778 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8732 Soluble
56 D L -1.1621 Soluble
57 N L -1.4263 Soluble
65 N L -2.4045 Soluble
66 K L -2.4556 Soluble
67 R L -2.2127 Soluble
68 P L -0.9987 Soluble
69 S L -0.7313 Soluble
70 G L -0.8382 Soluble
71 I L -1.0570 Soluble
72 P L -1.3443 Soluble
74 D L -2.2480 Soluble
75 R L -1.7136 Soluble
76 F L 0.0000 Buried
77 S L -1.4773 Soluble
78 G L -1.4486 Soluble
79 S L -1.3665 Soluble
80 K L -1.3215 Soluble
83 S L -0.9118 Soluble
84 G L -1.1353 Soluble
85 T L -0.9397 Soluble
86 S L -0.7166 Soluble
87 T L 0.0000 Buried
88 T L -0.6366 Soluble
89 L L 0.0000 Buried
90 G L -0.6208 Soluble
91 I L 0.0000 Buried
92 T L -1.9430 Soluble
93 G L -1.9101 Soluble
94 L L 0.0000 Buried
95 Q L -2.0488 Soluble
96 T L -1.1264 Soluble
97 G L -1.0448 Soluble
98 D L 0.0000 Buried
99 E L -1.2098 Soluble
100 A L 0.0000 Buried
101 D L 0.0000 Buried
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 -0.2190 Soluble
108 D L 0.0000 Buried
109 S L -1.0334 Soluble
110 R L -1.4529 Soluble
113 L L -0.0238 Soluble
114 S L -0.0404 Soluble
115 A L -0.0356 Soluble
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 -1.0467 Soluble
121 G L -1.0411 Soluble
122 T L 0.0000 Buried
123 K L -1.9791 Soluble
124 L L 0.0000 Buried
125 T L -0.5026 Soluble
126 V L 0.0000 Buried
127 L L 0.4330 Aggregation-prone
128 G L -0.5393 Soluble
129 Q L -1.0303 Soluble
130 P L -1.3072 Soluble
131 K L -2.5815 Soluble
132 A L -1.8901 Soluble
133 N L -2.0458 Soluble
134 P L 0.0000 Buried
135 T L -0.6306 Soluble
136 V L 0.0000 Buried
137 T L -0.3997 Soluble
138 L L -0.3501 Soluble
139 F L 0.0000 Buried
140 P L -0.0547 Soluble
141 P L 0.0000 Buried
142 S L -1.2136 Soluble
143 S L -1.8406 Soluble
144 E L -2.5283 Soluble
145 E L 0.0000 Buried
146 L L -2.1529 Soluble
147 Q L -2.4515 Soluble
148 A L -2.0067 Soluble
149 N L -2.8452 Soluble
150 K L -2.9046 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 -0.6991 Soluble
159 D L -1.5465 Soluble
160 F L 0.0000 Buried
161 Y L -1.5617 Soluble
162 P L -1.1742 Soluble
163 G L -1.0656 Soluble
164 A L -0.4405 Soluble
165 V L -0.3449 Soluble
166 T L -0.2999 Soluble
167 V L 0.0502 Aggregation-prone
168 A L -0.4825 Soluble
169 W L 0.0000 Buried
170 K L -1.1548 Soluble
171 A L 0.0000 Buried
172 D L -1.5811 Soluble
173 G L -1.0429 Soluble
174 S L -0.9921 Soluble
175 P L -1.0164 Soluble
176 V L -0.9636 Soluble
177 K L -1.7151 Soluble
178 A L -0.8173 Soluble
179 G L -0.6452 Soluble
180 V L -0.4994 Soluble
181 E L -0.4922 Soluble
182 T L -0.4334 Soluble
183 T L -0.7798 Soluble
184 K L -1.7717 Soluble
185 P L -1.2472 Soluble
186 S L -1.4089 Soluble
187 K L -2.1647 Soluble
188 Q L -1.7968 Soluble
189 S L -1.5467 Soluble
190 N L -2.1676 Soluble
191 N L -2.1173 Soluble
192 K L -2.1154 Soluble
193 Y L -1.3293 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 -0.5830 Soluble
201 L L -1.1440 Soluble
202 T L -1.8344 Soluble
203 P L -2.4812 Soluble
204 E L -3.1386 Soluble
205 Q L -2.2799 Soluble
206 W L 0.0000 Buried
207 K L -3.1014 Soluble
208 S L -2.3703 Soluble
209 H L -2.3935 Soluble
210 R L -2.5418 Soluble
211 S L -1.6027 Soluble
212 Y L 0.0000 Buried
213 S L -1.1091 Soluble
214 C L 0.0000 Buried
215 Q L -1.0815 Soluble
216 V L 0.0000 Buried
217 T L -0.8708 Soluble
218 H L 0.0000 Buried
219 E L -2.4673 Soluble
220 G L -1.4500 Soluble
221 S L -1.1058 Soluble
222 T L -0.9429 Soluble
223 V L -1.0106 Soluble
224 E L -2.2036 Soluble
225 K L -1.8481 Soluble
226 T L -0.9940 Soluble
227 V L -0.3626 Soluble
228 A L -0.8449 Soluble
229 P L -1.0173 Soluble
230 T L -0.6287 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 -0.7437 1.6554 CSV PDB
4.5 -0.7758 1.6406 CSV PDB
5.0 -0.8116 1.6224 CSV PDB
5.5 -0.843 1.6065 CSV PDB
6.0 -0.8594 1.6008 CSV PDB
6.5 -0.8516 1.6135 CSV PDB
7.0 -0.8201 1.6447 CSV PDB
7.5 -0.7733 1.6869 CSV PDB
8.0 -0.7179 1.7339 CSV PDB
8.5 -0.6565 1.7824 CSV PDB
9.0 -0.5903 1.8311 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH