Erenumab / 6umg

A4DAB109_6umg_h_l | Source PDB: 6umg | Chains: h, l | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6756
Max Score
1.5255
Min Score
-3.1689
Total Score
-292.52
Score CDR
-0.3507
Score non-CDR
-0.7278

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPQSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSTTLGITGLQTGDEADYYCGTWDSRLSAVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE 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 -3.1689
Maximum Score 1.5255
Average Score -0.6756
Total Score -292.5158

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

Index Residue Chain A4D Score Classification
1 Q h -0.9852 Soluble
2 V h 0.1215 Aggregation-prone
3 Q h -0.6796 Soluble
4 L h 0.0000 Buried
5 V h 1.0217 Aggregation-prone
6 E h 0.0000 Buried
7 S h -0.3827 Soluble
8 G h -0.8657 Soluble
9 G h -0.3156 Soluble
11 G h 0.5159 Aggregation-prone
12 V h 1.5255 Aggregation-prone
13 V h 0.0000 Buried
14 Q h -1.1726 Soluble
15 P h -1.8378 Soluble
16 G h -1.9671 Soluble
17 R h -2.5697 Soluble
18 S h -1.8093 Soluble
19 L h -1.0103 Soluble
20 R h -1.4816 Soluble
21 L h 0.0000 Buried
22 S h -0.2538 Soluble
23 C h 0.0000 Buried
24 A h -0.0810 Soluble
25 A h 0.0000 Buried
26 S h -0.3259 Soluble
27 G h -0.3547 Soluble
28 F h -0.0411 Soluble
29 T h -0.2612 Soluble
30 F h 0.0000 Buried
35 S h -1.0559 Soluble
36 S h -0.2973 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 -0.7940 Soluble
45 A h -1.2095 Soluble
46 P h -1.1208 Soluble
47 G h -1.8770 Soluble
48 K h -2.4516 Soluble
49 G h -1.5208 Soluble
50 L h 0.0000 Buried
51 E h -0.9291 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 -0.7881 Soluble
59 D h -1.7082 Soluble
63 G h -1.3503 Soluble
64 S h -0.7931 Soluble
65 I h -0.5875 Soluble
66 K h -1.1274 Soluble
67 Y h -0.6104 Soluble
67A S h -0.9049 Soluble
68 V h -1.0368 Soluble
69 D h -2.2686 Soluble
70 S h -1.5908 Soluble
71 V h 0.0000 Buried
72 K h -2.5858 Soluble
74 G h -1.7705 Soluble
75 R h -1.3639 Soluble
76 F h 0.0000 Buried
77 T h -0.9113 Soluble
78 I h 0.0000 Buried
79 S h -0.6909 Soluble
80 R h -1.1362 Soluble
81 D h -1.7383 Soluble
82 N h -2.0200 Soluble
83 S h -1.6517 Soluble
84 K h -2.4253 Soluble
85 N h -1.8174 Soluble
86 T h -0.9800 Soluble
87 L h 0.0000 Buried
88 F h -0.2937 Soluble
89 L h 0.0000 Buried
90 Q h -0.8842 Soluble
91 M h 0.0000 Buried
92 N h -1.6448 Soluble
93 S h -1.6055 Soluble
94 L h 0.0000 Buried
95 R h -2.1915 Soluble
96 A h -1.6225 Soluble
97 E h -2.1757 Soluble
98 D h 0.0000 Buried
99 T h -0.6202 Soluble
100 A h 0.0000 Buried
101 V h 0.0466 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 -0.2343 Soluble
107 D h 0.0000 Buried
108 R h -0.1819 Soluble
109 L h -0.0750 Soluble
110 N h -0.2352 Soluble
111 Y h 0.1368 Aggregation-prone
111A Y h 0.5410 Aggregation-prone
111B D h -1.1951 Soluble
111C S h -0.5112 Soluble
111D S h -0.1010 Soluble
111E G h 0.1521 Aggregation-prone
112E Y h 1.0894 Aggregation-prone
112D Y h 1.0734 Aggregation-prone
112C H h -0.4453 Soluble
112B Y h 0.0000 Buried
112A K h -0.7417 Soluble
112 Y h 0.0000 Buried
113 Y h 0.2205 Aggregation-prone
114 G h 0.0000 Buried
115 M h 0.0000 Buried
116 A h -0.0847 Soluble
117 V h -0.0421 Soluble
118 W h -0.1549 Soluble
119 G h 0.0000 Buried
120 Q h -1.0249 Soluble
121 G h -0.3547 Soluble
122 T h -0.2176 Soluble
123 T h 0.0873 Aggregation-prone
124 V h 0.0000 Buried
125 T h 0.1244 Aggregation-prone
126 V h 0.0000 Buried
127 S h 0.0000 Buried
128 S h -0.2631 Soluble
129 A h -0.1075 Soluble
130 S h -0.4653 Soluble
131 T h -0.8821 Soluble
132 K h -1.1626 Soluble
133 G h -1.2781 Soluble
134 P h 0.0000 Buried
135 S h -0.2273 Soluble
136 V h 0.0000 Buried
137 F h 0.0000 Buried
138 P h -0.9639 Soluble
139 L h 0.0000 Buried
140 A h -0.8687 Soluble
141 P h 0.0000 Buried
142 S h -0.4596 Soluble
143 G h -0.8294 Soluble
144 G h -0.8608 Soluble
145 T h -0.5774 Soluble
146 A h -0.3382 Soluble
147 A h 0.0444 Aggregation-prone
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 -0.4142 Soluble
155 Y h 0.0000 Buried
156 F h 0.0000 Buried
157 P h -1.1094 Soluble
158 E h -1.6276 Soluble
159 P h -1.3153 Soluble
160 V h -0.8227 Soluble
161 T h -0.5724 Soluble
162 V h -0.2304 Soluble
163 S h -0.3775 Soluble
164 W h -0.4680 Soluble
165 N h -1.6987 Soluble
166 G h 0.0980 Aggregation-prone
167 V h 1.2833 Aggregation-prone
168 H h 0.3021 Aggregation-prone
169 T h 0.2814 Aggregation-prone
170 F h 0.0000 Buried
171 P h -0.3514 Soluble
172 A h -0.3039 Soluble
173 V h 0.0000 Buried
174 L h -0.0135 Soluble
175 Q h -0.2884 Soluble
176 S h -0.6446 Soluble
177 S h -0.3185 Soluble
178 G h -0.1722 Soluble
179 L h -0.2352 Soluble
180 Y h -0.1050 Soluble
181 S h 0.0000 Buried
182 L h 0.0000 Buried
183 S h 0.0000 Buried
184 S h 0.0000 Buried
185 V h 0.5375 Aggregation-prone
186 V h 0.0000 Buried
187 T h 0.0968 Aggregation-prone
188 V h 0.0000 Buried
189 P h -0.5514 Soluble
190 S h -0.6379 Soluble
191 S h -0.6599 Soluble
192 S h -0.5970 Soluble
193 L h -0.6790 Soluble
194 G h -0.9310 Soluble
195 T h -0.7077 Soluble
196 Q h -1.1390 Soluble
197 T h -1.2914 Soluble
198 Y h 0.0000 Buried
199 I h -1.6397 Soluble
200 C h 0.0000 Buried
201 N h -1.6461 Soluble
202 V h 0.0000 Buried
203 N h 0.0000 Buried
204 H h 0.0000 Buried
205 K h -2.8170 Soluble
206 P h -1.7894 Soluble
207 S h -1.8168 Soluble
208 N h -2.5557 Soluble
209 T h -1.9793 Soluble
210 K h -2.5504 Soluble
211 V h -1.4194 Soluble
212 D h -2.6563 Soluble
213 K h -2.1353 Soluble
214 K h -2.6847 Soluble
215 V h 0.0000 Buried
216 E h -2.3583 Soluble
217 P h -1.1838 Soluble
1 Q l -1.0826 Soluble
2 S l -0.3950 Soluble
3 V l 0.5966 Aggregation-prone
4 L l 0.0000 Buried
5 T l -0.2715 Soluble
6 Q l 0.0000 Buried
7 P l -0.3949 Soluble
8 P l -0.5516 Soluble
9 S l -0.4892 Soluble
11 V l -0.1344 Soluble
12 S l -0.1595 Soluble
13 A l -0.6352 Soluble
14 A l -1.0059 Soluble
15 P l -1.4362 Soluble
16 G l -1.8633 Soluble
17 Q l -2.5060 Soluble
18 K l -2.5261 Soluble
19 V l 0.0000 Buried
20 T l -0.4599 Soluble
21 I l 0.0000 Buried
22 S l -0.3343 Soluble
23 C l 0.0000 Buried
24 S l -0.3397 Soluble
25 G l -0.1958 Soluble
26 S l -0.4587 Soluble
27 S l -0.9949 Soluble
28 S l -1.0036 Soluble
29 N l 0.0000 Buried
30 I l 0.0000 Buried
35 G l -1.1001 Soluble
36 N l -1.3542 Soluble
37 N l 0.0000 Buried
38 Y l 0.1030 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 -0.2267 Soluble
46 P l -0.4274 Soluble
47 G l -0.5936 Soluble
48 T l -0.5442 Soluble
49 A l -0.6003 Soluble
50 P l 0.0000 Buried
51 K l -0.7076 Soluble
52 L l 0.0000 Buried
53 L l 0.0000 Buried
54 I l 0.0000 Buried
55 Y l -0.9901 Soluble
56 D l -0.9970 Soluble
57 N l -1.3557 Soluble
65 N l -2.4754 Soluble
66 K l -2.9253 Soluble
67 R l -2.2629 Soluble
68 P l -0.9214 Soluble
69 S l -0.7418 Soluble
70 G l -0.8165 Soluble
71 I l -1.0522 Soluble
72 P l -1.2958 Soluble
74 D l -2.3481 Soluble
75 R l -1.6229 Soluble
76 F l 0.0000 Buried
77 S l -1.4769 Soluble
78 G l -1.4155 Soluble
79 S l -1.2782 Soluble
80 K l -1.1136 Soluble
83 S l -0.8041 Soluble
84 G l -1.0197 Soluble
85 T l -0.8646 Soluble
86 S l -0.6788 Soluble
87 T l 0.0000 Buried
88 T l -0.5792 Soluble
89 L l 0.0000 Buried
90 G l -0.7648 Soluble
91 I l 0.0000 Buried
92 T l -1.8631 Soluble
93 G l -1.6130 Soluble
94 L l 0.0000 Buried
95 Q l -1.8183 Soluble
96 T l -1.1444 Soluble
97 G l -0.9762 Soluble
98 D l 0.0000 Buried
99 E l -0.9962 Soluble
100 A l 0.0000 Buried
101 D l -0.9664 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 -1.2658 Soluble
110 R l -1.6716 Soluble
113 L l -0.5113 Soluble
114 S l -0.5413 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 -1.0894 Soluble
121 G l -0.9447 Soluble
122 T l 0.0000 Buried
123 K l -0.8734 Soluble
124 L l 0.0000 Buried
125 T l 0.0000 Buried
126 V l 0.0000 Buried
127 L l -0.6225 Soluble
128 G l -0.7812 Soluble
129 Q l -1.1892 Soluble
130 P l -1.4579 Soluble
131 K l -2.3704 Soluble
132 A l -1.8819 Soluble
133 N l -1.9156 Soluble
134 P l 0.0000 Buried
135 T l -0.5784 Soluble
136 V l 0.0000 Buried
137 T l -0.3684 Soluble
138 L l -0.3203 Soluble
139 F l 0.0000 Buried
140 P l -0.3788 Soluble
141 P l -0.5145 Soluble
142 S l -0.6849 Soluble
143 S l -1.0210 Soluble
144 E l -1.7751 Soluble
145 E l 0.0000 Buried
146 L l -1.5203 Soluble
147 Q l -1.9852 Soluble
148 A l -1.5758 Soluble
149 N l -2.2214 Soluble
150 K l -1.8984 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 -0.8643 Soluble
159 D l -1.6729 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 -0.4002 Soluble
165 V l -0.1803 Soluble
166 T l 0.0335 Aggregation-prone
167 V l 0.1250 Aggregation-prone
168 A l -0.3794 Soluble
169 W l 0.0000 Buried
170 K l -1.1590 Soluble
171 A l 0.0000 Buried
172 D l -1.6828 Soluble
173 G l -1.2631 Soluble
174 S l -0.9519 Soluble
175 P l -0.9732 Soluble
176 V l -0.9036 Soluble
177 K l -1.7061 Soluble
178 A l -0.8720 Soluble
179 G l -0.7457 Soluble
180 V l -0.4519 Soluble
181 E l -0.6986 Soluble
182 T l -0.6316 Soluble
183 T l 0.0000 Buried
184 K l -2.2191 Soluble
185 P l -1.3102 Soluble
186 S l -1.6422 Soluble
187 K l -2.8533 Soluble
188 Q l -2.1556 Soluble
189 S l -1.6551 Soluble
190 N l -2.6118 Soluble
191 N l -2.8885 Soluble
192 K l -2.5649 Soluble
193 Y l 0.0000 Buried
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 -0.4509 Soluble
201 L l 0.0000 Buried
202 T l -1.6593 Soluble
203 P l -2.2240 Soluble
204 E l -3.0890 Soluble
205 Q l -2.4990 Soluble
206 W l 0.0000 Buried
207 K l -3.1689 Soluble
208 S l -2.4646 Soluble
209 H l -2.5438 Soluble
210 R l -2.6827 Soluble
211 S l -1.6717 Soluble
212 Y l 0.0000 Buried
213 S l -0.9594 Soluble
214 C l 0.0000 Buried
215 Q l -0.8274 Soluble
216 V l 0.0000 Buried
217 T l -0.4698 Soluble
218 H l 0.0000 Buried
219 E l -1.4717 Soluble
220 G l -0.9029 Soluble
221 S l -0.6551 Soluble
222 T l -0.5286 Soluble
223 V l -0.5930 Soluble
224 E l -1.7181 Soluble
225 K l -1.6699 Soluble
226 T l -0.9249 Soluble
227 V l -0.6916 Soluble
228 A l -1.4298 Soluble
229 P l -1.7225 Soluble
230 T l -1.5153 Soluble
231 E l -1.8477 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 -0.6723 2.1078 CSV PDB
4.5 -0.7052 2.0826 CSV PDB
5.0 -0.7424 2.0453 CSV PDB
5.5 -0.7758 2.0011 CSV PDB
6.0 -0.7955 1.9561 CSV PDB
6.5 -0.7934 1.9153 CSV PDB
7.0 -0.7702 1.8806 CSV PDB
7.5 -0.734 1.8505 CSV PDB
8.0 -0.6909 1.8226 CSV PDB
8.5 -0.6427 1.796 CSV PDB
9.0 -0.5897 1.8157 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH