Navivumab / 4ubd

A4DAB176_4ubd_Y_X | Source PDB: 4ubd | Chains: Y, X | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7086
Max Score
1.3817
Min Score
-4.1251
Total Score
-306.1
Score CDR
-0.0958
Score non-CDR
-0.7961

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) Y (Heavy), X (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 -4.1251
Maximum Score 1.3817
Average Score -0.7086
Total Score -306.097

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

Index Residue Chain A4D Score Classification
1 Q Y -1.5070 Soluble
2 V Y -1.0022 Soluble
3 Q Y -1.2738 Soluble
4 L Y 0.0000 Buried
5 V Y 0.5536 Aggregation-prone
6 Q Y 0.0000 Buried
7 S Y -0.5749 Soluble
8 G Y -0.6510 Soluble
9 A Y -0.6815 Soluble
11 E Y -1.2451 Soluble
12 V Y -0.6650 Soluble
13 K Y -1.7059 Soluble
14 K Y -2.4556 Soluble
15 P Y -2.2836 Soluble
16 G Y -1.7805 Soluble
17 A Y -1.5502 Soluble
18 S Y -2.0120 Soluble
19 V Y 0.0000 Buried
20 K Y -2.3040 Soluble
21 V Y 0.0000 Buried
22 S Y -0.6083 Soluble
23 C Y 0.0000 Buried
24 K Y -1.2311 Soluble
25 T Y 0.0000 Buried
26 S Y -1.0227 Soluble
27 G Y -1.1387 Soluble
28 Y Y -0.5018 Soluble
29 S Y -0.2243 Soluble
30 F Y 0.0000 Buried
35 S Y 0.2203 Aggregation-prone
36 T Y -0.2098 Soluble
37 Y Y 0.0002 Aggregation-prone
38 G Y 0.0000 Buried
39 V Y 0.0000 Buried
40 S Y 0.0000 Buried
41 W Y 0.0000 Buried
42 V Y 0.0000 Buried
43 R Y 0.0000 Buried
44 Q Y -0.7128 Soluble
45 A Y -1.0578 Soluble
46 P Y -0.8912 Soluble
47 G Y -1.2563 Soluble
48 Q Y -1.8586 Soluble
49 G Y -1.2742 Soluble
50 P Y 0.0000 Buried
51 E Y -0.7468 Soluble
52 W Y 0.0000 Buried
53 V Y 0.0000 Buried
54 G Y 0.0000 Buried
55 W Y 0.0000 Buried
56 I Y 0.0000 Buried
57 S Y 0.0000 Buried
58 A Y 0.6200 Aggregation-prone
59 Y Y 1.2997 Aggregation-prone
62 T Y 0.7271 Aggregation-prone
63 G Y 0.5161 Aggregation-prone
64 I Y 1.1857 Aggregation-prone
65 T Y 0.2636 Aggregation-prone
66 D Y -0.5729 Soluble
67 Y Y -1.0138 Soluble
68 A Y 0.0000 Buried
69 Q Y -2.5434 Soluble
70 K Y -2.6679 Soluble
71 F Y 0.0000 Buried
72 Q Y -2.4057 Soluble
74 G Y -1.7819 Soluble
75 R Y -1.7853 Soluble
76 V Y 0.0000 Buried
77 T Y -0.9804 Soluble
78 L Y 0.0000 Buried
79 T Y -0.1399 Soluble
80 T Y -0.2601 Soluble
81 D Y -0.8640 Soluble
82 A Y -0.2387 Soluble
83 T Y -0.2824 Soluble
84 T Y -0.5679 Soluble
85 A Y -0.7071 Soluble
86 T Y 0.0000 Buried
87 A Y 0.0000 Buried
88 F Y -0.6269 Soluble
89 L Y 0.0000 Buried
90 D Y -1.7819 Soluble
91 L Y 0.0000 Buried
92 R Y -2.5605 Soluble
93 S Y -1.8700 Soluble
94 L Y 0.0000 Buried
95 R Y -2.8354 Soluble
96 P Y -2.2448 Soluble
97 D Y -2.4091 Soluble
98 D Y 0.0000 Buried
99 T Y -0.9351 Soluble
100 A Y 0.0000 Buried
101 T Y -0.1909 Soluble
102 Y Y 0.0000 Buried
103 F Y 0.0000 Buried
104 C Y 0.0000 Buried
105 A Y 0.0000 Buried
106 R Y 0.0000 Buried
107 D Y 0.0000 Buried
108 K Y -0.7091 Soluble
109 V Y -0.2949 Soluble
110 Q Y -0.5516 Soluble
111 G Y -0.9050 Soluble
111A R Y -1.3840 Soluble
111B V Y 0.2815 Aggregation-prone
111C E Y -0.8493 Soluble
112C V Y 0.6211 Aggregation-prone
112B G Y 0.1215 Aggregation-prone
112A S Y -0.1901 Soluble
112 G Y -0.6917 Soluble
113 G Y 0.0000 Buried
114 R Y 0.0000 Buried
115 H Y 0.0000 Buried
116 D Y -0.1572 Soluble
117 Y Y 0.0503 Aggregation-prone
118 W Y -0.1589 Soluble
119 G Y 0.0000 Buried
120 Q Y -1.1817 Soluble
121 G Y -0.6521 Soluble
122 T Y 0.0000 Buried
123 L Y -0.2114 Soluble
124 V Y 0.0000 Buried
125 I Y 0.0000 Buried
126 V Y 0.0000 Buried
127 S Y -1.2716 Soluble
128 S Y -1.0301 Soluble
129 A Y -0.6664 Soluble
130 S Y -0.7461 Soluble
131 T Y -0.7975 Soluble
132 K Y -1.5594 Soluble
133 G Y -1.5287 Soluble
134 P Y -0.7816 Soluble
135 S Y -0.5603 Soluble
136 V Y 0.0000 Buried
137 F Y 0.0000 Buried
138 P Y -1.2087 Soluble
139 L Y 0.0000 Buried
140 A Y -0.8015 Soluble
141 P Y -0.6403 Soluble
142 G Y -0.6236 Soluble
143 T Y -0.4652 Soluble
144 A Y -0.2695 Soluble
145 A Y 0.0000 Buried
146 L Y 0.0000 Buried
147 G Y 0.0000 Buried
148 C Y 0.0000 Buried
149 L Y 0.0000 Buried
150 V Y 0.0000 Buried
151 K Y 0.0000 Buried
152 D Y -0.7193 Soluble
153 Y Y 0.0000 Buried
154 F Y -0.4164 Soluble
155 P Y 0.0000 Buried
156 E Y -0.3559 Soluble
157 P Y -0.3220 Soluble
158 V Y -0.2457 Soluble
159 T Y -0.4226 Soluble
160 V Y -0.0390 Soluble
161 S Y -0.1989 Soluble
162 W Y 0.0000 Buried
163 N Y -0.3593 Soluble
164 S Y -0.4549 Soluble
165 G Y -0.3370 Soluble
166 A Y -0.0910 Soluble
167 L Y 0.0974 Aggregation-prone
168 T Y -0.1626 Soluble
169 S Y -0.2386 Soluble
170 G Y -0.2752 Soluble
171 V Y 0.0811 Aggregation-prone
172 H Y -0.3576 Soluble
173 T Y 0.0289 Aggregation-prone
174 F Y 0.0000 Buried
175 P Y -0.2873 Soluble
176 A Y 0.2783 Aggregation-prone
177 V Y 0.5897 Aggregation-prone
178 L Y 1.0810 Aggregation-prone
179 Q Y 0.2217 Aggregation-prone
180 S Y -0.1527 Soluble
181 S Y -0.3268 Soluble
182 G Y -0.1796 Soluble
183 L Y -0.0951 Soluble
184 Y Y 0.3404 Aggregation-prone
185 S Y 0.0000 Buried
186 L Y 0.0000 Buried
187 S Y 0.0000 Buried
188 S Y 0.0000 Buried
189 V Y 0.0000 Buried
190 V Y 0.0000 Buried
191 T Y -0.1478 Soluble
192 V Y 0.0000 Buried
193 P Y -0.3196 Soluble
194 S Y -0.2222 Soluble
195 S Y -0.2019 Soluble
196 S Y 0.0748 Aggregation-prone
197 L Y 0.4462 Aggregation-prone
198 G Y -0.2678 Soluble
199 T Y -0.2284 Soluble
200 Q Y -0.4346 Soluble
201 T Y -0.5303 Soluble
202 Y Y 0.0000 Buried
203 I Y -0.1996 Soluble
204 C Y 0.0000 Buried
205 N Y -1.0378 Soluble
206 V Y 0.0000 Buried
207 N Y -1.6503 Soluble
208 H Y 0.0000 Buried
209 K Y -2.3590 Soluble
210 P Y -1.4443 Soluble
211 S Y -1.7761 Soluble
212 N Y -2.2989 Soluble
213 T Y -2.0939 Soluble
214 K Y -2.6404 Soluble
215 V Y -1.6427 Soluble
216 D Y -1.8335 Soluble
217 K Y -1.7899 Soluble
218 K Y -1.4549 Soluble
219 V Y 0.0000 Buried
220 E Y -1.9698 Soluble
221 P Y -1.0299 Soluble
2 V X 0.9961 Aggregation-prone
3 V X 1.3817 Aggregation-prone
4 L X 0.0000 Buried
5 T X -0.5263 Soluble
6 Q X 0.0000 Buried
7 S X -1.0257 Soluble
8 P X -0.7495 Soluble
9 G X -1.0278 Soluble
10 T X -0.8058 Soluble
11 L X -0.4970 Soluble
12 A X -0.6465 Soluble
13 L X -1.1601 Soluble
14 P X -1.8933 Soluble
15 P X -2.2069 Soluble
16 G X -2.3544 Soluble
17 E X -3.3915 Soluble
18 R X -3.7044 Soluble
19 A X 0.0000 Buried
20 T X -0.9340 Soluble
21 L X 0.0000 Buried
22 S X -0.9654 Soluble
23 C X 0.0000 Buried
24 R X -2.5927 Soluble
25 A X -1.4524 Soluble
26 S X -0.8750 Soluble
27 H X -1.9167 Soluble
28 R X -2.8305 Soluble
29 V X 0.0000 Buried
30 G X -0.5295 Soluble
36 S X -0.5468 Soluble
37 T X 0.1060 Aggregation-prone
38 Y X 0.7394 Aggregation-prone
39 I X 0.0000 Buried
40 A X 0.0000 Buried
41 W X 0.0000 Buried
42 Y X 0.0000 Buried
43 Q X 0.0000 Buried
44 Q X 0.0000 Buried
45 K X -1.5394 Soluble
46 S X -1.3591 Soluble
47 G X -1.3772 Soluble
48 Q X -1.9190 Soluble
49 A X -1.2686 Soluble
50 P X 0.0000 Buried
51 R X -1.1174 Soluble
52 R X 0.0000 Buried
53 L X 0.0000 Buried
54 I X 0.0000 Buried
55 Y X -0.4126 Soluble
56 G X -0.3964 Soluble
57 A X 0.0000 Buried
65 S X -0.8998 Soluble
66 N X -1.4041 Soluble
67 R X -1.9494 Soluble
68 A X -1.2416 Soluble
69 T X -1.2399 Soluble
70 D X -2.0862 Soluble
71 I X -1.4537 Soluble
72 P X -1.5535 Soluble
74 D X -2.7375 Soluble
75 R X -2.5427 Soluble
76 F X 0.0000 Buried
77 S X -1.2356 Soluble
78 G X -0.5964 Soluble
79 S X -0.7698 Soluble
80 G X -1.1607 Soluble
83 S X -1.1146 Soluble
84 G X -1.7591 Soluble
85 T X -2.3610 Soluble
86 D X -2.7079 Soluble
87 F X 0.0000 Buried
88 T X -0.8714 Soluble
89 L X 0.0000 Buried
90 T X -1.1885 Soluble
91 I X 0.0000 Buried
92 R X -3.7389 Soluble
93 R X -4.1251 Soluble
94 L X 0.0000 Buried
95 E X -2.8251 Soluble
96 P X -2.5614 Soluble
97 E X -2.8563 Soluble
98 D X 0.0000 Buried
99 S X -1.7234 Soluble
100 A X 0.0000 Buried
101 V X -0.6859 Soluble
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 Q X 0.0000 Buried
106 Q X 0.0000 Buried
107 F X 0.0000 Buried
108 S X 0.5346 Aggregation-prone
109 V X 1.2716 Aggregation-prone
114 S X 0.2648 Aggregation-prone
115 P X -0.2100 Soluble
116 W X 0.6288 Aggregation-prone
117 T X 0.5116 Aggregation-prone
118 F X 0.1355 Aggregation-prone
119 G X 0.0000 Buried
120 Q X -1.4786 Soluble
121 G X -1.2040 Soluble
122 T X 0.0000 Buried
123 R X -1.4328 Soluble
124 V X 0.0000 Buried
125 E X -1.2902 Soluble
126 I X 0.0000 Buried
127 K X -1.8717 Soluble
128 R X -1.2948 Soluble
129 T X -0.1340 Soluble
130 V X 0.6193 Aggregation-prone
131 A X 0.2141 Aggregation-prone
132 A X -0.0702 Soluble
133 P X 0.0000 Buried
134 S X -0.1911 Soluble
135 V X 0.0000 Buried
136 F X 0.0756 Aggregation-prone
137 I X 0.0776 Aggregation-prone
138 F X 0.0000 Buried
139 P X -0.7202 Soluble
140 P X -0.7099 Soluble
141 S X 0.0000 Buried
142 D X -2.8828 Soluble
143 E X -2.8264 Soluble
144 Q X 0.0000 Buried
145 L X -2.2861 Soluble
146 K X -2.7743 Soluble
147 S X -1.8123 Soluble
148 G X -1.3622 Soluble
149 T X -0.9831 Soluble
150 A X 0.0000 Buried
151 S X 0.0000 Buried
152 V X 0.0000 Buried
153 V X 0.0000 Buried
154 C X 0.0000 Buried
155 L X 0.0000 Buried
156 L X 0.0000 Buried
157 N X 0.0000 Buried
158 N X -0.7436 Soluble
159 F X 0.0000 Buried
160 Y X 0.0000 Buried
161 P X -1.8743 Soluble
162 R X -3.2262 Soluble
163 E X -3.3167 Soluble
164 A X -2.3694 Soluble
165 K X -2.4535 Soluble
166 V X -1.0380 Soluble
167 Q X -0.4976 Soluble
168 W X 0.0000 Buried
169 K X -0.6307 Soluble
170 V X 0.0000 Buried
171 D X -1.8926 Soluble
172 N X -1.5239 Soluble
173 A X -0.3313 Soluble
174 L X 0.7259 Aggregation-prone
175 Q X -0.0599 Soluble
176 S X -0.4736 Soluble
177 G X -0.9187 Soluble
178 N X -0.8476 Soluble
179 S X -1.1042 Soluble
180 Q X -1.3636 Soluble
181 E X -1.7222 Soluble
182 S X 0.0000 Buried
183 V X -0.6005 Soluble
184 T X -1.0563 Soluble
185 E X -2.2942 Soluble
186 Q X -2.0449 Soluble
187 D X -2.2404 Soluble
188 S X -2.5179 Soluble
189 K X -2.9352 Soluble
190 D X -2.4259 Soluble
191 S X 0.0000 Buried
192 T X 0.0000 Buried
193 Y X 0.0000 Buried
194 S X 0.0000 Buried
195 L X 0.0000 Buried
196 S X 0.0000 Buried
197 S X 0.0000 Buried
198 T X -0.7088 Soluble
199 L X 0.0000 Buried
200 T X -0.4456 Soluble
201 L X -0.6907 Soluble
202 S X -1.2810 Soluble
203 K X -2.2266 Soluble
204 A X -1.9204 Soluble
205 D X -2.6475 Soluble
206 Y X 0.0000 Buried
207 E X -3.4979 Soluble
208 K X -3.6139 Soluble
209 H X -3.0178 Soluble
210 K X -3.3202 Soluble
211 V X -1.4932 Soluble
212 Y X 0.0000 Buried
213 A X 0.0000 Buried
214 C X 0.0000 Buried
215 E X -0.9466 Soluble
216 V X 0.0000 Buried
217 T X -1.1465 Soluble
218 H X 0.0000 Buried
219 Q X -1.7740 Soluble
220 G X -0.3828 Soluble
221 L X -0.1795 Soluble
222 S X -0.4569 Soluble
223 S X -0.3652 Soluble
224 P X -0.4145 Soluble
225 V X 0.1676 Aggregation-prone
226 T X -0.5553 Soluble
227 K X -1.0224 Soluble
228 S X -0.7752 Soluble
229 F X -1.0889 Soluble
230 N X -2.1262 Soluble
231 R X -2.6976 Soluble
232 G X -2.2504 Soluble
233 E X -2.5615 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 -0.735 2.3727 CSV PDB
4.5 -0.7808 2.3157 CSV PDB
5.0 -0.8336 2.2857 CSV PDB
5.5 -0.8832 2.252 CSV PDB
6.0 -0.9188 2.2168 CSV PDB
6.5 -0.9325 2.1812 CSV PDB
7.0 -0.9241 2.1454 CSV PDB
7.5 -0.9008 2.1098 CSV PDB
8.0 -0.8692 2.0747 CSV PDB
8.5 -0.8311 2.0412 CSV PDB
9.0 -0.7863 2.0118 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH