Navivumab / 4ubd

A4DAB176_4ubd_C_D | Source PDB: 4ubd | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7129
Max Score
1.8186
Min Score
-4.2327
Total Score
-307.97
Score CDR
-0.0752
Score non-CDR
-0.804

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) C (Heavy), D (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 -4.2327
Maximum Score 1.8186
Average Score -0.7129
Total Score -307.9659

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

Index Residue Chain A4D Score Classification
1 Q C -1.5180 Soluble
2 V C -1.0527 Soluble
3 Q C -1.2870 Soluble
4 L C 0.0000 Buried
5 V C 0.5691 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.5416 Soluble
8 G C -0.6770 Soluble
9 A C -0.6527 Soluble
11 E C -1.2169 Soluble
12 V C -0.5627 Soluble
13 K C -1.6662 Soluble
14 K C -2.4279 Soluble
15 P C -2.2582 Soluble
16 G C -1.7791 Soluble
17 A C -1.5500 Soluble
18 S C -1.9563 Soluble
19 V C 0.0000 Buried
20 K C -2.1830 Soluble
21 V C 0.0000 Buried
22 S C -0.5562 Soluble
23 C C 0.0000 Buried
24 K C -1.2153 Soluble
25 T C 0.0000 Buried
26 S C -1.0214 Soluble
27 G C -1.1525 Soluble
28 Y C -0.5131 Soluble
29 S C -0.2282 Soluble
30 F C 0.0000 Buried
35 S C 0.2060 Aggregation-prone
36 T C -0.1918 Soluble
37 Y C 0.0510 Aggregation-prone
38 G C 0.0000 Buried
39 V C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7066 Soluble
45 A C -1.0545 Soluble
46 P C -0.8868 Soluble
47 G C -1.2579 Soluble
48 Q C -1.8500 Soluble
49 G C -1.2546 Soluble
50 P C 0.0000 Buried
51 E C -0.7372 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 G C 0.0000 Buried
55 W C 0.0000 Buried
56 I C 0.0000 Buried
57 S C 0.0000 Buried
58 A C 0.7262 Aggregation-prone
59 Y C 1.4060 Aggregation-prone
62 T C 0.9440 Aggregation-prone
63 G C 0.8253 Aggregation-prone
64 I C 1.8186 Aggregation-prone
65 T C 0.5764 Aggregation-prone
66 D C -0.4386 Soluble
67 Y C -1.0191 Soluble
68 A C 0.0000 Buried
69 Q C -2.5442 Soluble
70 K C -2.6691 Soluble
71 F C 0.0000 Buried
72 Q C -2.4059 Soluble
74 G C -1.7805 Soluble
75 R C -1.7352 Soluble
76 V C 0.0000 Buried
77 T C -0.8800 Soluble
78 L C 0.0000 Buried
79 T C -0.0566 Soluble
80 T C -0.3443 Soluble
81 D C -1.0451 Soluble
82 A C -0.3250 Soluble
83 T C -0.3331 Soluble
84 T C -0.6028 Soluble
85 A C -0.7503 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 F C -0.5736 Soluble
89 L C 0.0000 Buried
90 D C -1.4921 Soluble
91 L C 0.0000 Buried
92 R C -2.4874 Soluble
93 S C -1.8702 Soluble
94 L C 0.0000 Buried
95 R C -2.7978 Soluble
96 P C -2.2063 Soluble
97 D C -2.3819 Soluble
98 D C 0.0000 Buried
99 T C -0.8511 Soluble
100 A C 0.0000 Buried
101 T C -0.0983 Soluble
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 D C 0.0000 Buried
108 K C -0.5707 Soluble
109 V C -0.2023 Soluble
110 Q C -0.5301 Soluble
111 G C -0.9221 Soluble
111A R C -1.4075 Soluble
111B V C 0.2791 Aggregation-prone
111C E C -0.8248 Soluble
112C V C 0.6551 Aggregation-prone
112B G C 0.1431 Aggregation-prone
112A S C -0.1349 Soluble
112 G C -0.6150 Soluble
113 G C 0.0000 Buried
114 R C 0.0000 Buried
115 H C 0.0000 Buried
116 D C -0.3368 Soluble
117 Y C -0.0875 Soluble
118 W C -0.2172 Soluble
119 G C 0.0000 Buried
120 Q C -1.1548 Soluble
121 G C -0.6161 Soluble
122 T C 0.0000 Buried
123 L C -0.1231 Soluble
124 V C 0.0000 Buried
125 I C -0.6889 Soluble
126 V C 0.0000 Buried
127 S C -1.2206 Soluble
128 S C -1.0091 Soluble
129 A C -0.6762 Soluble
130 S C -0.7378 Soluble
131 T C -0.8485 Soluble
132 K C -1.6384 Soluble
133 G C -1.5942 Soluble
134 P C -0.8024 Soluble
135 S C -0.6133 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.2782 Soluble
139 L C 0.0000 Buried
140 A C -0.8183 Soluble
141 P C -0.6487 Soluble
142 G C -0.6245 Soluble
143 T C -0.4637 Soluble
144 A C -0.2701 Soluble
145 A C 0.0000 Buried
146 L C 0.0000 Buried
147 G C 0.0000 Buried
148 C C 0.0000 Buried
149 L C 0.0000 Buried
150 V C 0.0000 Buried
151 K C -0.3559 Soluble
152 D C -0.6970 Soluble
153 Y C 0.0000 Buried
154 F C -0.4429 Soluble
155 P C 0.0000 Buried
156 E C -0.3629 Soluble
157 P C -0.4445 Soluble
158 V C -0.3215 Soluble
159 T C -0.4848 Soluble
160 V C -0.0511 Soluble
161 S C -0.1993 Soluble
162 W C 0.0000 Buried
163 N C -0.3568 Soluble
164 S C -0.4507 Soluble
165 G C -0.3329 Soluble
166 A C -0.0886 Soluble
167 L C 0.1095 Aggregation-prone
168 T C -0.1488 Soluble
169 S C -0.2129 Soluble
170 G C -0.2256 Soluble
171 V C 0.1100 Aggregation-prone
172 H C -0.3598 Soluble
173 T C 0.0164 Aggregation-prone
174 F C 0.0000 Buried
175 P C -0.3292 Soluble
176 A C 0.2116 Aggregation-prone
177 V C 0.4492 Aggregation-prone
178 L C 0.9178 Aggregation-prone
179 Q C 0.1348 Aggregation-prone
180 S C -0.1764 Soluble
181 S C -0.3161 Soluble
182 G C -0.1488 Soluble
183 L C -0.0811 Soluble
184 Y C 0.3332 Aggregation-prone
185 S C 0.0000 Buried
186 L C 0.0000 Buried
187 S C -0.0485 Soluble
188 S C 0.0000 Buried
189 V C 0.0000 Buried
190 V C 0.0000 Buried
191 T C -0.1317 Soluble
192 V C 0.0000 Buried
193 P C -0.3151 Soluble
194 S C -0.1894 Soluble
195 S C -0.1916 Soluble
196 S C 0.0885 Aggregation-prone
197 L C 0.5008 Aggregation-prone
198 G C -0.2418 Soluble
199 T C -0.2172 Soluble
200 Q C -0.4309 Soluble
201 T C -0.5441 Soluble
202 Y C 0.0000 Buried
203 I C -0.2934 Soluble
204 C C 0.0000 Buried
205 N C -1.0757 Soluble
206 V C 0.0000 Buried
207 N C -1.6985 Soluble
208 H C 0.0000 Buried
209 K C -2.5864 Soluble
210 P C -1.5726 Soluble
211 S C -1.8632 Soluble
212 N C -2.3781 Soluble
213 T C -2.1309 Soluble
214 K C -2.6551 Soluble
215 V C -1.6053 Soluble
216 D C -1.9070 Soluble
217 K C -2.0681 Soluble
218 K C -1.6906 Soluble
219 V C 0.0000 Buried
220 E C -1.9929 Soluble
221 P C -1.0271 Soluble
2 V D 0.9527 Aggregation-prone
3 V D 1.3727 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.5590 Soluble
6 Q D 0.0000 Buried
7 S D -0.9944 Soluble
8 P D -0.7238 Soluble
9 G D -1.0019 Soluble
10 T D -0.7640 Soluble
11 L D -0.4985 Soluble
12 A D -0.6862 Soluble
13 L D -1.2136 Soluble
14 P D -1.9750 Soluble
15 P D -2.2461 Soluble
16 G D -2.4062 Soluble
17 E D -3.5122 Soluble
18 R D -3.8099 Soluble
19 A D 0.0000 Buried
20 T D -0.9776 Soluble
21 L D 0.0000 Buried
22 S D -1.0417 Soluble
23 C D 0.0000 Buried
24 R D -2.7356 Soluble
25 A D -1.5407 Soluble
26 S D -0.9166 Soluble
27 H D -1.8483 Soluble
28 R D -2.8828 Soluble
29 V D 0.0000 Buried
30 G D -0.5781 Soluble
36 S D -0.6022 Soluble
37 T D 0.0748 Aggregation-prone
38 Y D 0.6635 Aggregation-prone
39 I D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.4469 Soluble
46 S D -1.2971 Soluble
47 G D -1.3241 Soluble
48 Q D -1.8271 Soluble
49 A D -1.2270 Soluble
50 P D 0.0000 Buried
51 R D -1.1425 Soluble
52 R D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.4313 Soluble
56 G D -0.4084 Soluble
57 A D 0.0000 Buried
65 S D -0.9148 Soluble
66 N D -1.4510 Soluble
67 R D -1.9143 Soluble
68 A D -1.2424 Soluble
69 T D -1.2545 Soluble
70 D D -2.0727 Soluble
71 I D -1.4271 Soluble
72 P D -1.5318 Soluble
74 D D -2.7514 Soluble
75 R D -2.5990 Soluble
76 F D 0.0000 Buried
77 S D -1.3058 Soluble
78 G D -0.6167 Soluble
79 S D -0.8342 Soluble
80 G D -1.2738 Soluble
83 S D -1.2122 Soluble
84 G D -1.8405 Soluble
85 T D -2.5350 Soluble
86 D D -3.0753 Soluble
87 F D 0.0000 Buried
88 T D -0.9603 Soluble
89 L D 0.0000 Buried
90 T D -1.2623 Soluble
91 I D 0.0000 Buried
92 R D -3.9530 Soluble
93 R D -4.2327 Soluble
94 L D 0.0000 Buried
95 E D -2.7772 Soluble
96 P D -2.4887 Soluble
97 E D -2.7968 Soluble
98 D D 0.0000 Buried
99 S D -1.7075 Soluble
100 A D 0.0000 Buried
101 V D -0.5496 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 F D 0.0000 Buried
108 S D 0.4439 Aggregation-prone
109 V D 1.0545 Aggregation-prone
114 S D 0.2086 Aggregation-prone
115 P D -0.2494 Soluble
116 W D 0.5791 Aggregation-prone
117 T D 0.4861 Aggregation-prone
118 F D 0.1452 Aggregation-prone
119 G D 0.0000 Buried
120 Q D -1.4251 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 R D -1.3248 Soluble
124 V D 0.0000 Buried
125 E D -1.3355 Soluble
126 I D 0.0000 Buried
127 K D -1.9977 Soluble
128 R D -1.3009 Soluble
129 T D -0.1502 Soluble
130 V D 0.6304 Aggregation-prone
131 A D 0.2284 Aggregation-prone
132 A D -0.0612 Soluble
133 P D 0.0000 Buried
134 S D -0.1835 Soluble
135 V D 0.0000 Buried
136 F D 0.0994 Aggregation-prone
137 I D 0.0944 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.7368 Soluble
140 P D -0.7105 Soluble
141 S D 0.0000 Buried
142 D D -2.8450 Soluble
143 E D -2.7484 Soluble
144 Q D 0.0000 Buried
145 L D -2.2427 Soluble
146 K D -2.7460 Soluble
147 S D -1.7889 Soluble
148 G D -1.3412 Soluble
149 T D -0.9660 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.6941 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.8923 Soluble
162 R D -3.2191 Soluble
163 E D -3.3001 Soluble
164 A D -2.3383 Soluble
165 K D -2.3837 Soluble
166 V D -1.0257 Soluble
167 Q D -0.4570 Soluble
168 W D 0.0000 Buried
169 K D -0.6186 Soluble
170 V D 0.0000 Buried
171 D D -1.9202 Soluble
172 N D -1.5360 Soluble
173 A D -0.3367 Soluble
174 L D 0.7177 Aggregation-prone
175 Q D -0.0769 Soluble
176 S D -0.5212 Soluble
177 G D -0.9881 Soluble
178 N D -0.9406 Soluble
179 S D -1.2605 Soluble
180 Q D -1.7039 Soluble
181 E D -1.9074 Soluble
182 S D -0.8542 Soluble
183 V D -0.6333 Soluble
184 T D -1.0810 Soluble
185 E D -2.3095 Soluble
186 Q D -2.0139 Soluble
187 D D -2.1980 Soluble
188 S D -2.4389 Soluble
189 K D -2.7738 Soluble
190 D D -2.0919 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.8155 Soluble
199 L D 0.0000 Buried
200 T D -0.4955 Soluble
201 L D -0.6902 Soluble
202 S D -1.2567 Soluble
203 K D -2.1539 Soluble
204 A D -1.8772 Soluble
205 D D -2.6157 Soluble
206 Y D 0.0000 Buried
207 E D -3.4014 Soluble
208 K D -3.5627 Soluble
209 H D -2.9911 Soluble
210 K D -3.3203 Soluble
211 V D -1.5147 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.8788 Soluble
216 V D 0.0000 Buried
217 T D -1.1204 Soluble
218 H D 0.0000 Buried
219 Q D -1.7642 Soluble
220 G D -0.3709 Soluble
221 L D -0.1812 Soluble
222 S D -0.4612 Soluble
223 S D -0.3735 Soluble
224 P D -0.4131 Soluble
225 V D 0.1687 Aggregation-prone
226 T D -0.5157 Soluble
227 K D -0.9578 Soluble
228 S D -0.7476 Soluble
229 F D -1.0973 Soluble
230 N D -2.1722 Soluble
231 R D -2.7320 Soluble
232 G D -2.2666 Soluble
233 E D -2.5797 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 -0.7388 3.2205 CSV PDB
4.5 -0.7843 3.1987 CSV PDB
5.0 -0.8376 3.1693 CSV PDB
5.5 -0.8875 3.136 CSV PDB
6.0 -0.9231 3.1013 CSV PDB
6.5 -0.936 3.0662 CSV PDB
7.0 -0.9264 3.0309 CSV PDB
7.5 -0.9018 2.9958 CSV PDB
8.0 -0.8691 2.9612 CSV PDB
8.5 -0.8299 2.9281 CSV PDB
9.0 -0.7839 2.8989 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH