Navivumab / 4ubd

A4DAB176_4ubd_K_L | Source PDB: 4ubd | Chains: K, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7024
Max Score
1.8441
Min Score
-4.0348
Total Score
-303.45
Score CDR
-0.0881
Score non-CDR
-0.7902

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) K (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 -4.0348
Maximum Score 1.8441
Average Score -0.7024
Total Score -303.4521

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

Index Residue Chain A4D Score Classification
1 Q K -1.5182 Soluble
2 V K -1.0483 Soluble
3 Q K -1.3128 Soluble
4 L K 0.0000 Buried
5 V K 0.5594 Aggregation-prone
6 Q K 0.0000 Buried
7 S K -0.6267 Soluble
8 G K -0.8038 Soluble
9 A K -0.7711 Soluble
11 E K -1.3450 Soluble
12 V K -0.5513 Soluble
13 K K -1.5815 Soluble
14 K K -2.3770 Soluble
15 P K -2.2455 Soluble
16 G K -1.7489 Soluble
17 A K -1.5096 Soluble
18 S K -2.0311 Soluble
19 V K 0.0000 Buried
20 K K -2.3129 Soluble
21 V K 0.0000 Buried
22 S K -0.5763 Soluble
23 C K 0.0000 Buried
24 K K -1.1919 Soluble
25 T K 0.0000 Buried
26 S K -1.0241 Soluble
27 G K -1.1432 Soluble
28 Y K -0.4966 Soluble
29 S K -0.2223 Soluble
30 F K 0.0000 Buried
35 S K 0.2241 Aggregation-prone
36 T K -0.2480 Soluble
37 Y K -0.1009 Soluble
38 G K 0.0000 Buried
39 V K 0.0000 Buried
40 S K 0.0000 Buried
41 W K 0.0000 Buried
42 V K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.6993 Soluble
45 A K -1.0404 Soluble
46 P K -0.9033 Soluble
47 G K -1.2554 Soluble
48 Q K -1.8449 Soluble
49 G K -1.2599 Soluble
50 P K 0.0000 Buried
51 E K -0.7456 Soluble
52 W K 0.0000 Buried
53 V K 0.0000 Buried
54 G K 0.0000 Buried
55 W K 0.0000 Buried
56 I K 0.0000 Buried
57 S K 0.0000 Buried
58 A K 0.7220 Aggregation-prone
59 Y K 1.4073 Aggregation-prone
62 T K 0.9442 Aggregation-prone
63 G K 0.8206 Aggregation-prone
64 I K 1.8441 Aggregation-prone
65 T K 0.6397 Aggregation-prone
66 D K -0.3276 Soluble
67 Y K -0.9788 Soluble
68 A K 0.0000 Buried
69 Q K -2.5258 Soluble
70 K K -2.6629 Soluble
71 F K 0.0000 Buried
72 Q K -2.3831 Soluble
74 G K -1.7750 Soluble
75 R K -1.7858 Soluble
76 V K 0.0000 Buried
77 T K -0.9679 Soluble
78 L K 0.0000 Buried
79 T K -0.0690 Soluble
80 T K -0.2818 Soluble
81 D K -0.9113 Soluble
82 A K -0.2593 Soluble
83 T K -0.2937 Soluble
84 T K -0.5693 Soluble
85 A K -0.7096 Soluble
86 T K 0.0000 Buried
87 A K 0.0000 Buried
88 F K -0.5814 Soluble
89 L K 0.0000 Buried
90 D K -1.7690 Soluble
91 L K 0.0000 Buried
92 R K -2.5759 Soluble
93 S K -1.8817 Soluble
94 L K 0.0000 Buried
95 R K -2.8256 Soluble
96 P K -2.2305 Soluble
97 D K -2.4109 Soluble
98 D K 0.0000 Buried
99 T K -0.9036 Soluble
100 A K 0.0000 Buried
101 T K -0.1255 Soluble
102 Y K 0.0000 Buried
103 F K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 R K 0.0000 Buried
107 D K 0.0000 Buried
108 K K -1.2000 Soluble
109 V K -0.4852 Soluble
110 Q K -0.6350 Soluble
111 G K -0.9281 Soluble
111A R K -1.4357 Soluble
111B V K 0.2646 Aggregation-prone
111C E K -0.8867 Soluble
112C V K 0.6905 Aggregation-prone
112B G K 0.1376 Aggregation-prone
112A S K -0.2587 Soluble
112 G K -0.6893 Soluble
113 G K 0.0000 Buried
114 R K -0.4978 Soluble
115 H K 0.0000 Buried
116 D K -0.3708 Soluble
117 Y K -0.1377 Soluble
118 W K -0.2270 Soluble
119 G K 0.0000 Buried
120 Q K -1.2127 Soluble
121 G K -0.6387 Soluble
122 T K 0.0000 Buried
123 L K -0.0953 Soluble
124 V K 0.0000 Buried
125 I K 0.0000 Buried
126 V K 0.0000 Buried
127 S K -1.2379 Soluble
128 S K -0.9970 Soluble
129 A K -0.6536 Soluble
130 S K -0.7666 Soluble
131 T K -0.8218 Soluble
132 K K -1.5800 Soluble
133 G K -1.5273 Soluble
134 P K -0.7274 Soluble
135 S K -0.5656 Soluble
136 V K 0.0000 Buried
137 F K 0.0000 Buried
138 P K -1.2289 Soluble
139 L K 0.0000 Buried
140 A K -0.8319 Soluble
141 P K -0.6652 Soluble
142 G K -0.6213 Soluble
143 T K -0.4619 Soluble
144 A K -0.2779 Soluble
145 A K 0.0000 Buried
146 L K 0.0000 Buried
147 G K 0.0000 Buried
148 C K 0.0000 Buried
149 L K 0.0000 Buried
150 V K 0.0000 Buried
151 K K -0.3081 Soluble
152 D K -0.5451 Soluble
153 Y K 0.0000 Buried
154 F K -0.3587 Soluble
155 P K 0.0000 Buried
156 E K -0.2087 Soluble
157 P K -0.2966 Soluble
158 V K -0.2396 Soluble
159 T K -0.4137 Soluble
160 V K -0.0953 Soluble
161 S K -0.2615 Soluble
162 W K 0.0000 Buried
163 N K -0.4385 Soluble
164 S K -0.5340 Soluble
165 G K -0.3426 Soluble
166 A K -0.0801 Soluble
167 L K 0.1196 Aggregation-prone
168 T K -0.1516 Soluble
169 S K -0.2303 Soluble
170 G K -0.2650 Soluble
171 V K 0.0848 Aggregation-prone
172 H K -0.4097 Soluble
173 T K 0.0143 Aggregation-prone
174 F K 0.0000 Buried
175 P K -0.2426 Soluble
176 A K 0.2926 Aggregation-prone
177 V K 0.6265 Aggregation-prone
178 L K 1.3496 Aggregation-prone
179 Q K 0.2830 Aggregation-prone
180 S K -0.1427 Soluble
181 S K -0.2697 Soluble
182 G K -0.1057 Soluble
183 L K 0.0343 Aggregation-prone
184 Y K 0.4482 Aggregation-prone
185 S K 0.3438 Aggregation-prone
186 L K 0.0000 Buried
187 S K -0.0528 Soluble
188 S K 0.0000 Buried
189 V K 0.0000 Buried
190 V K 0.0000 Buried
191 T K -0.1446 Soluble
192 V K 0.0000 Buried
193 P K -0.3603 Soluble
194 S K -0.2658 Soluble
195 S K -0.2977 Soluble
196 S K -0.0912 Soluble
197 L K 0.1082 Aggregation-prone
198 G K -0.4413 Soluble
199 T K -0.3657 Soluble
200 Q K -0.7914 Soluble
201 T K -0.6571 Soluble
202 Y K 0.0000 Buried
203 I K -0.4193 Soluble
204 C K 0.0000 Buried
205 N K -1.3096 Soluble
206 V K 0.0000 Buried
207 N K -1.6236 Soluble
208 H K 0.0000 Buried
209 K K -2.5349 Soluble
210 P K -1.4959 Soluble
211 S K -1.8261 Soluble
212 N K -2.3408 Soluble
213 T K -2.1369 Soluble
214 K K -2.7276 Soluble
215 V K -1.8243 Soluble
216 D K -2.4343 Soluble
217 K K -2.2368 Soluble
218 K K -1.7882 Soluble
219 V K 0.0000 Buried
220 E K -2.1257 Soluble
221 P K -1.0818 Soluble
2 V L 1.0509 Aggregation-prone
3 V L 1.3955 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5667 Soluble
6 Q L 0.0000 Buried
7 S L -1.0359 Soluble
8 P L -0.7409 Soluble
9 G L -1.0017 Soluble
10 T L -0.8040 Soluble
11 L L -0.5309 Soluble
12 A L -0.7312 Soluble
13 L L -1.1570 Soluble
14 P L -1.9688 Soluble
15 P L -2.2329 Soluble
16 G L -2.3188 Soluble
17 E L -3.2922 Soluble
18 R L -3.6191 Soluble
19 A L 0.0000 Buried
20 T L -0.9132 Soluble
21 L L 0.0000 Buried
22 S L -0.9068 Soluble
23 C L 0.0000 Buried
24 R L -2.3980 Soluble
25 A L -1.3227 Soluble
26 S L -0.8048 Soluble
27 H L -1.8444 Soluble
28 R L -2.7482 Soluble
29 V L 0.0000 Buried
30 G L -0.5285 Soluble
36 S L -0.4864 Soluble
37 T L 0.1135 Aggregation-prone
38 Y L 0.6462 Aggregation-prone
39 I L 0.0000 Buried
40 A 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 K L -1.4139 Soluble
46 S L -1.2842 Soluble
47 G L -1.3329 Soluble
48 Q L -1.8573 Soluble
49 A L -1.2464 Soluble
50 P L 0.0000 Buried
51 R L -1.0886 Soluble
52 R L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.4090 Soluble
56 G L -0.4062 Soluble
57 A L 0.0000 Buried
65 S L -0.8814 Soluble
66 N L -1.3673 Soluble
67 R L -1.9110 Soluble
68 A L 0.0000 Buried
69 T L -1.2450 Soluble
70 D L -2.0896 Soluble
71 I L -1.4501 Soluble
72 P L -1.5554 Soluble
74 D L -2.7206 Soluble
75 R L -2.4951 Soluble
76 F L 0.0000 Buried
77 S L -1.2064 Soluble
78 G L -0.5943 Soluble
79 S L -0.6955 Soluble
80 G L -0.9865 Soluble
83 S L -0.9513 Soluble
84 G L -1.6022 Soluble
85 T L -2.0951 Soluble
86 D L -2.1638 Soluble
87 F L 0.0000 Buried
88 T L -0.7607 Soluble
89 L L 0.0000 Buried
90 T L -1.3415 Soluble
91 I L 0.0000 Buried
92 R L -3.5928 Soluble
93 R L -4.0348 Soluble
94 L L 0.0000 Buried
95 E L -2.7557 Soluble
96 P L -2.5426 Soluble
97 E L -2.8205 Soluble
98 D L 0.0000 Buried
99 S L -1.7370 Soluble
100 A L 0.0000 Buried
101 V L -0.6651 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 F L 0.0000 Buried
108 S L 0.5776 Aggregation-prone
109 V L 1.3646 Aggregation-prone
114 S L 0.3520 Aggregation-prone
115 P L -0.1471 Soluble
116 W L 0.7322 Aggregation-prone
117 T L 0.5374 Aggregation-prone
118 F L 0.1431 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.4566 Soluble
121 G L -1.1793 Soluble
122 T L 0.0000 Buried
123 R L -1.4570 Soluble
124 V L 0.0000 Buried
125 E L -1.3646 Soluble
126 I L 0.0000 Buried
127 K L -1.9772 Soluble
128 R L -1.2965 Soluble
129 T L -0.0901 Soluble
130 V L 0.7556 Aggregation-prone
131 A L 0.2834 Aggregation-prone
132 A L -0.0371 Soluble
133 P L 0.0000 Buried
134 S L -0.1921 Soluble
135 V L 0.0000 Buried
136 F L 0.0502 Aggregation-prone
137 I L 0.0577 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7504 Soluble
140 P L -0.6558 Soluble
141 S L 0.0000 Buried
142 D L -2.7201 Soluble
143 E L -2.4888 Soluble
144 Q L 0.0000 Buried
145 L L -2.1152 Soluble
146 K L -2.6425 Soluble
147 S L -1.6935 Soluble
148 G L -1.2245 Soluble
149 T L -0.8913 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7291 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8654 Soluble
162 R L -3.1956 Soluble
163 E L -3.3251 Soluble
164 A L -2.3762 Soluble
165 K L -2.4758 Soluble
166 V L -1.0345 Soluble
167 Q L -0.5569 Soluble
168 W L 0.0000 Buried
169 K L -0.6752 Soluble
170 V L 0.0000 Buried
171 D L -1.9576 Soluble
172 N L -1.5513 Soluble
173 A L -0.3468 Soluble
174 L L 0.7015 Aggregation-prone
175 Q L -0.0900 Soluble
176 S L -0.5063 Soluble
177 G L -0.9497 Soluble
178 N L -0.9051 Soluble
179 S L -1.1577 Soluble
180 Q L -1.4479 Soluble
181 E L -1.8969 Soluble
182 S L -0.7462 Soluble
183 V L -0.5710 Soluble
184 T L -1.0011 Soluble
185 E L -2.1483 Soluble
186 Q L -1.9431 Soluble
187 D L -2.1921 Soluble
188 S L -2.4432 Soluble
189 K L -2.8292 Soluble
190 D L -2.1180 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7402 Soluble
199 L L 0.0000 Buried
200 T L -0.4659 Soluble
201 L L -0.6645 Soluble
202 S L -1.2097 Soluble
203 K L -2.0531 Soluble
204 A L -1.8236 Soluble
205 D L -2.6158 Soluble
206 Y L 0.0000 Buried
207 E L -3.3023 Soluble
208 K L -3.5221 Soluble
209 H L -2.9919 Soluble
210 K L -3.3504 Soluble
211 V L -1.5694 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9628 Soluble
216 V L 0.0000 Buried
217 T L -1.1337 Soluble
218 H L 0.0000 Buried
219 Q L -1.7463 Soluble
220 G L -0.5147 Soluble
221 L L -0.1437 Soluble
222 S L -0.4453 Soluble
223 S L -0.3346 Soluble
224 P L -0.3711 Soluble
225 V L 0.2529 Aggregation-prone
226 T L -0.5151 Soluble
227 K L -1.0246 Soluble
228 S L -0.8212 Soluble
229 F L -1.1829 Soluble
230 N L -2.3248 Soluble
231 R L -2.7341 Soluble
232 G L -2.2664 Soluble
233 E L -2.6100 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 -0.7324 3.2211 CSV PDB
4.5 -0.776 3.2071 CSV PDB
5.0 -0.8267 3.1858 CSV PDB
5.5 -0.8741 3.16 CSV PDB
6.0 -0.9072 3.1323 CSV PDB
6.5 -0.9179 3.104 CSV PDB
7.0 -0.9065 3.0755 CSV PDB
7.5 -0.8806 3.047 CSV PDB
8.0 -0.8467 3.0187 CSV PDB
8.5 -0.8064 2.9912 CSV PDB
9.0 -0.7597 2.9656 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH