Navivumab / 4ubd

A4DAB176_4ubd_G_H | Source PDB: 4ubd | Chains: G, H | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7152
Max Score
1.8027
Min Score
-4.1189
Total Score
-308.96
Score CDR
-0.0692
Score non-CDR
-0.8075

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) G (Heavy), H (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 -4.1189
Maximum Score 1.8027
Average Score -0.7152
Total Score -308.9617

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

Index Residue Chain A4D Score Classification
1 Q G -1.5114 Soluble
2 V G -1.0158 Soluble
3 Q G -1.2674 Soluble
4 L G 0.0000 Buried
5 V G 0.5623 Aggregation-prone
6 Q G 0.0000 Buried
7 S G -0.6471 Soluble
8 G G -0.8154 Soluble
9 A G -0.7481 Soluble
11 E G -1.2846 Soluble
12 V G -0.4710 Soluble
13 K G -1.6533 Soluble
14 K G -2.4017 Soluble
15 P G -2.2906 Soluble
16 G G -1.7836 Soluble
17 A G -1.5624 Soluble
18 S G -2.0751 Soluble
19 V G 0.0000 Buried
20 K G -2.2910 Soluble
21 V G 0.0000 Buried
22 S G -0.5871 Soluble
23 C G 0.0000 Buried
24 K G -1.1815 Soluble
25 T G 0.0000 Buried
26 S G -1.0145 Soluble
27 G G -1.1406 Soluble
28 Y G -0.5051 Soluble
29 S G -0.2248 Soluble
30 F G 0.0000 Buried
35 S G 0.2196 Aggregation-prone
36 T G -0.1929 Soluble
37 Y G 0.0432 Aggregation-prone
38 G G 0.0000 Buried
39 V G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.7104 Soluble
45 A G -1.0518 Soluble
46 P G -0.8860 Soluble
47 G G -1.2526 Soluble
48 Q G -1.8464 Soluble
49 G G -1.2472 Soluble
50 P G 0.0000 Buried
51 E G -0.6483 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 G G 0.0000 Buried
55 W G 0.0000 Buried
56 I G 0.0000 Buried
57 S G 0.0000 Buried
58 A G 0.7388 Aggregation-prone
59 Y G 1.4011 Aggregation-prone
62 T G 0.9332 Aggregation-prone
63 G G 0.8279 Aggregation-prone
64 I G 1.8027 Aggregation-prone
65 T G 0.5499 Aggregation-prone
66 D G -0.5033 Soluble
67 Y G -1.0541 Soluble
68 A G 0.0000 Buried
69 Q G -2.5511 Soluble
70 K G -2.6623 Soluble
71 F G 0.0000 Buried
72 Q G -2.4025 Soluble
74 G G -1.7834 Soluble
75 R G -1.7949 Soluble
76 V G 0.0000 Buried
77 T G -0.9682 Soluble
78 L G 0.0000 Buried
79 T G -0.0695 Soluble
80 T G -0.2898 Soluble
81 D G -0.9187 Soluble
82 A G -0.2584 Soluble
83 T G -0.2943 Soluble
84 T G -0.5677 Soluble
85 A G -0.7068 Soluble
86 T G 0.0000 Buried
87 A G 0.0000 Buried
88 F G -0.5999 Soluble
89 L G 0.0000 Buried
90 D G -1.7054 Soluble
91 L G 0.0000 Buried
92 R G -2.6348 Soluble
93 S G -1.9186 Soluble
94 L G 0.0000 Buried
95 R G -2.8546 Soluble
96 P G -2.2502 Soluble
97 D G -2.4109 Soluble
98 D G 0.0000 Buried
99 T G -0.9066 Soluble
100 A G 0.0000 Buried
101 T G -0.1315 Soluble
102 Y G 0.0000 Buried
103 F G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G 0.0000 Buried
107 D G 0.0000 Buried
108 K G -0.5584 Soluble
109 V G -0.2101 Soluble
110 Q G -0.5385 Soluble
111 G G -0.9107 Soluble
111A R G -1.3830 Soluble
111B V G 0.2839 Aggregation-prone
111C E G -0.8283 Soluble
112C V G 0.6501 Aggregation-prone
112B G G 0.1353 Aggregation-prone
112A S G -0.1906 Soluble
112 G G -0.6831 Soluble
113 G G 0.0000 Buried
114 R G 0.0000 Buried
115 H G 0.0000 Buried
116 D G -0.2263 Soluble
117 Y G 0.0325 Aggregation-prone
118 W G -0.0415 Soluble
119 G G 0.0000 Buried
120 Q G -1.1871 Soluble
121 G G -0.6337 Soluble
122 T G 0.0000 Buried
123 L G -0.0832 Soluble
124 V G 0.0000 Buried
125 I G 0.0000 Buried
126 V G 0.0000 Buried
127 S G -1.2558 Soluble
128 S G -0.9940 Soluble
129 A G -0.5891 Soluble
130 S G -0.4764 Soluble
131 T G -0.6034 Soluble
132 K G -1.3078 Soluble
133 G G -1.5730 Soluble
134 P G -0.8288 Soluble
135 S G -0.8111 Soluble
136 V G 0.0000 Buried
137 F G 0.0000 Buried
138 P G -1.2834 Soluble
139 L G 0.0000 Buried
140 A G -0.8176 Soluble
141 P G -0.6493 Soluble
142 G G -0.6210 Soluble
143 T G -0.4642 Soluble
144 A G -0.2941 Soluble
145 A G 0.0000 Buried
146 L G 0.0000 Buried
147 G G 0.0000 Buried
148 C G 0.0000 Buried
149 L G 0.0000 Buried
150 V G 0.0000 Buried
151 K G -0.4853 Soluble
152 D G -0.8860 Soluble
153 Y G 0.0000 Buried
154 F G -0.2897 Soluble
155 P G 0.0000 Buried
156 E G -0.2311 Soluble
157 P G -0.3806 Soluble
158 V G -0.3214 Soluble
159 T G -0.5208 Soluble
160 V G -0.0784 Soluble
161 S G -0.2434 Soluble
162 W G 0.0000 Buried
163 N G -0.3946 Soluble
164 S G -0.5010 Soluble
165 G G -0.4269 Soluble
166 A G -0.1267 Soluble
167 L G 0.0904 Aggregation-prone
168 T G -0.1699 Soluble
169 S G -0.2256 Soluble
170 G G -0.2424 Soluble
171 V G 0.1026 Aggregation-prone
172 H G -0.4009 Soluble
173 T G -0.0143 Soluble
174 F G 0.0000 Buried
175 P G -0.3376 Soluble
176 A G 0.4605 Aggregation-prone
177 V G 0.5789 Aggregation-prone
178 L G 1.2276 Aggregation-prone
179 Q G 0.1965 Aggregation-prone
180 S G -0.1326 Soluble
181 S G -0.3178 Soluble
182 G G -0.1351 Soluble
183 L G -0.0343 Soluble
184 Y G 0.3742 Aggregation-prone
185 S G 0.2260 Aggregation-prone
186 L G 0.0000 Buried
187 S G -0.0498 Soluble
188 S G 0.0000 Buried
189 V G 0.0000 Buried
190 V G 0.0000 Buried
191 T G -0.1369 Soluble
192 V G 0.0000 Buried
193 P G -0.3098 Soluble
194 S G -0.1878 Soluble
195 S G -0.2038 Soluble
196 S G 0.0543 Aggregation-prone
197 L G 0.4284 Aggregation-prone
198 G G -0.2951 Soluble
199 T G -0.2958 Soluble
200 Q G -0.7631 Soluble
201 T G -0.6138 Soluble
202 Y G 0.0000 Buried
203 I G -0.1844 Soluble
204 C G 0.0000 Buried
205 N G -1.0709 Soluble
206 V G 0.0000 Buried
207 N G -1.8144 Soluble
208 H G 0.0000 Buried
209 K G -2.8364 Soluble
210 P G -1.5615 Soluble
211 S G -1.8853 Soluble
212 N G -2.5008 Soluble
213 T G -2.1942 Soluble
214 K G -2.6956 Soluble
215 V G -1.5425 Soluble
216 D G -1.6994 Soluble
217 K G -1.6126 Soluble
218 K G -1.4071 Soluble
219 V G 0.0000 Buried
220 E G -2.0583 Soluble
221 P G -1.0286 Soluble
2 V H 1.0084 Aggregation-prone
3 V H 1.3838 Aggregation-prone
4 L H 0.0000 Buried
5 T H -0.5470 Soluble
6 Q H 0.0000 Buried
7 S H -0.9543 Soluble
8 P H -0.6605 Soluble
9 G H -0.9072 Soluble
10 T H -0.7057 Soluble
11 L H -0.4692 Soluble
12 A H -0.6809 Soluble
13 L H -1.1622 Soluble
14 P H -2.0446 Soluble
15 P H -2.3862 Soluble
16 G H -2.4719 Soluble
17 E H -3.4651 Soluble
18 R H -3.6231 Soluble
19 A H 0.0000 Buried
20 T H -0.8808 Soluble
21 L H 0.0000 Buried
22 S H -0.9974 Soluble
23 C H 0.0000 Buried
24 R H -2.6785 Soluble
25 A H -1.5124 Soluble
26 S H -0.9028 Soluble
27 H H -1.9379 Soluble
28 R H -2.8620 Soluble
29 V H 0.0000 Buried
30 G H -0.5345 Soluble
36 S H -0.5882 Soluble
37 T H 0.0585 Aggregation-prone
38 Y H 0.7112 Aggregation-prone
39 I H 0.0000 Buried
40 A H 0.0000 Buried
41 W H 0.0000 Buried
42 Y H 0.0000 Buried
43 Q H 0.0000 Buried
44 Q H 0.0000 Buried
45 K H -1.4934 Soluble
46 S H -1.3208 Soluble
47 G H -1.3535 Soluble
48 Q H -1.8929 Soluble
49 A H -1.2460 Soluble
50 P H 0.0000 Buried
51 R H -1.0500 Soluble
52 R H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H -0.5539 Soluble
56 G H -0.5093 Soluble
57 A H 0.0000 Buried
65 S H -1.0603 Soluble
66 N H -1.7092 Soluble
67 R H -2.0176 Soluble
68 A H -1.2776 Soluble
69 T H -1.2667 Soluble
70 D H -2.0675 Soluble
71 I H -1.4036 Soluble
72 P H -1.5137 Soluble
74 D H -2.6748 Soluble
75 R H -2.5564 Soluble
76 F H 0.0000 Buried
77 S H -1.2580 Soluble
78 G H -0.6628 Soluble
79 S H -0.8554 Soluble
80 G H -1.2306 Soluble
83 S H -1.1780 Soluble
84 G H -1.8192 Soluble
85 T H -2.4773 Soluble
86 D H -2.9443 Soluble
87 F H 0.0000 Buried
88 T H -0.9147 Soluble
89 L H 0.0000 Buried
90 T H -1.3008 Soluble
91 I H 0.0000 Buried
92 R H -3.5910 Soluble
93 R H -4.1189 Soluble
94 L H 0.0000 Buried
95 E H -3.0744 Soluble
96 P H -2.7317 Soluble
97 E H -2.9321 Soluble
98 D H 0.0000 Buried
99 S H -1.7579 Soluble
100 A H 0.0000 Buried
101 V H -0.6083 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 Q H 0.0000 Buried
106 Q H 0.0000 Buried
107 F H 0.0000 Buried
108 S H 0.5228 Aggregation-prone
109 V H 1.2520 Aggregation-prone
114 S H 0.2496 Aggregation-prone
115 P H -0.2382 Soluble
116 W H 0.6749 Aggregation-prone
117 T H 0.4962 Aggregation-prone
118 F H 0.1362 Aggregation-prone
119 G H 0.0000 Buried
120 Q H -1.3651 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 R H -1.2645 Soluble
124 V H 0.0000 Buried
125 E H -1.3234 Soluble
126 I H 0.0000 Buried
127 K H -1.9862 Soluble
128 R H -1.3653 Soluble
129 T H -0.1596 Soluble
130 V H 0.5977 Aggregation-prone
131 A H 0.1986 Aggregation-prone
132 A H -0.0824 Soluble
133 P H 0.0000 Buried
134 S H -0.1278 Soluble
135 V H 0.0000 Buried
136 F H 0.0309 Aggregation-prone
137 I H 0.0508 Aggregation-prone
138 F H 0.0000 Buried
139 P H -0.7348 Soluble
140 P H -0.7617 Soluble
141 S H 0.0000 Buried
142 D H -3.0607 Soluble
143 E H -3.1749 Soluble
144 Q H 0.0000 Buried
145 L H -2.4441 Soluble
146 K H -2.8470 Soluble
147 S H -1.8127 Soluble
148 G H -1.2318 Soluble
149 T H -0.9809 Soluble
150 A H 0.0000 Buried
151 S H 0.0000 Buried
152 V H 0.0000 Buried
153 V H 0.0000 Buried
154 C H 0.0000 Buried
155 L H 0.0000 Buried
156 L H 0.0000 Buried
157 N H 0.0000 Buried
158 N H -0.7560 Soluble
159 F H 0.0000 Buried
160 Y H 0.0000 Buried
161 P H -1.9185 Soluble
162 R H -3.2416 Soluble
163 E H -3.3185 Soluble
164 A H -2.4050 Soluble
165 K H -2.4896 Soluble
166 V H -1.0297 Soluble
167 Q H -0.5185 Soluble
168 W H 0.0000 Buried
169 K H -0.6238 Soluble
170 V H 0.0000 Buried
171 D H -1.8432 Soluble
172 N H -1.4977 Soluble
173 A H -0.3436 Soluble
174 L H 0.7247 Aggregation-prone
175 Q H -0.0567 Soluble
176 S H -0.5034 Soluble
177 G H -0.9673 Soluble
178 N H -0.9059 Soluble
179 S H -1.2343 Soluble
180 Q H -1.6647 Soluble
181 E H -2.0272 Soluble
182 S H -0.9064 Soluble
183 V H -0.8096 Soluble
184 T H -1.1415 Soluble
185 E H -2.2868 Soluble
186 Q H -1.9634 Soluble
187 D H -2.0593 Soluble
188 S H -2.4536 Soluble
189 K H -2.9190 Soluble
190 D H -2.3091 Soluble
191 S H 0.0000 Buried
192 T H 0.0000 Buried
193 Y H 0.0000 Buried
194 S H 0.0000 Buried
195 L H 0.0000 Buried
196 S H 0.0000 Buried
197 S H 0.0000 Buried
198 T H -0.7997 Soluble
199 L H 0.0000 Buried
200 T H -0.5215 Soluble
201 L H -0.7725 Soluble
202 S H -1.4369 Soluble
203 K H -2.5865 Soluble
204 A H -2.1488 Soluble
205 D H -2.8545 Soluble
206 Y H 0.0000 Buried
207 E H -3.7776 Soluble
208 K H -3.6982 Soluble
209 H H -2.8930 Soluble
210 K H -2.9575 Soluble
211 V H -1.3386 Soluble
212 Y H 0.0000 Buried
213 A H 0.0000 Buried
214 C H 0.0000 Buried
215 E H -0.9411 Soluble
216 V H 0.0000 Buried
217 T H -1.1351 Soluble
218 H H 0.0000 Buried
219 Q H -1.7757 Soluble
220 G H -0.3831 Soluble
221 L H -0.1635 Soluble
222 S H -0.4435 Soluble
223 S H -0.3418 Soluble
224 P H -0.3762 Soluble
225 V H 0.2156 Aggregation-prone
226 T H -0.5424 Soluble
227 K H -1.0296 Soluble
228 S H -0.7977 Soluble
229 F H -1.0574 Soluble
230 N H -2.0635 Soluble
231 R H -2.6164 Soluble
232 G H -2.2231 Soluble
233 E H -2.5351 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 -0.7245 3.2211 CSV PDB
4.5 -0.7708 3.1964 CSV PDB
5.0 -0.8254 3.1639 CSV PDB
5.5 -0.8772 3.1275 CSV PDB
6.0 -0.9147 3.0897 CSV PDB
6.5 -0.9297 3.0515 CSV PDB
7.0 -0.9223 3.0131 CSV PDB
7.5 -0.8998 2.975 CSV PDB
8.0 -0.8687 2.9375 CSV PDB
8.5 -0.831 2.9019 CSV PDB
9.0 -0.7868 2.871 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH