Navivumab / 4ubd

A4DAB176_4ubd_S_T | Source PDB: 4ubd | Chains: S, T | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7112
Max Score
1.799
Min Score
-4.0975
Total Score
-307.24
Score CDR
-0.076
Score non-CDR
-0.8019

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) S (Heavy), T (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 -4.0975
Maximum Score 1.799
Average Score -0.7112
Total Score -307.2399

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

Index Residue Chain A4D Score Classification
1 Q S -1.5077 Soluble
2 V S -1.0226 Soluble
3 Q S -1.4579 Soluble
4 L S 0.0000 Buried
5 V S -0.1413 Soluble
6 Q S 0.0000 Buried
7 S S -0.7755 Soluble
8 G S -0.8779 Soluble
9 A S -0.7565 Soluble
11 E S -1.2957 Soluble
12 V S -0.5015 Soluble
13 K S -1.6380 Soluble
14 K S -2.3794 Soluble
15 P S -2.2511 Soluble
16 G S -1.7594 Soluble
17 A S -1.5467 Soluble
18 S S -2.0302 Soluble
19 V S 0.0000 Buried
20 K S -2.2152 Soluble
21 V S 0.0000 Buried
22 S S -0.6710 Soluble
23 C S 0.0000 Buried
24 K S -1.4738 Soluble
25 T S 0.0000 Buried
26 S S -1.1185 Soluble
27 G S -1.1378 Soluble
28 Y S -0.5017 Soluble
29 S S -0.2232 Soluble
30 F S 0.0000 Buried
35 S S 0.2064 Aggregation-prone
36 T S -0.1757 Soluble
37 Y S 0.0636 Aggregation-prone
38 G S 0.0000 Buried
39 V S 0.0000 Buried
40 S S 0.0000 Buried
41 W S 0.0000 Buried
42 V S 0.0000 Buried
43 R S 0.0000 Buried
44 Q S -0.6947 Soluble
45 A S -1.0436 Soluble
46 P S -0.8833 Soluble
47 G S -1.2504 Soluble
48 Q S -1.8462 Soluble
49 G S -1.2462 Soluble
50 P S 0.0000 Buried
51 E S -0.6294 Soluble
52 W S 0.0000 Buried
53 V S 0.0000 Buried
54 G S 0.0000 Buried
55 W S 0.0000 Buried
56 I S 0.0000 Buried
57 S S 0.0000 Buried
58 A S 0.7206 Aggregation-prone
59 Y S 1.4003 Aggregation-prone
62 T S 0.9336 Aggregation-prone
63 G S 0.8242 Aggregation-prone
64 I S 1.7990 Aggregation-prone
65 T S 0.5413 Aggregation-prone
66 D S -0.5214 Soluble
67 Y S -1.0626 Soluble
68 A S 0.0000 Buried
69 Q S -2.5528 Soluble
70 K S -2.6615 Soluble
71 F S 0.0000 Buried
72 Q S -2.4034 Soluble
74 G S -1.7823 Soluble
75 R S -1.7629 Soluble
76 V S 0.0000 Buried
77 T S -0.9036 Soluble
78 L S 0.0000 Buried
79 T S -0.0629 Soluble
80 T S -0.3504 Soluble
81 D S -1.0530 Soluble
82 A S -0.3301 Soluble
83 T S -0.3505 Soluble
84 T S -0.6473 Soluble
85 A S -0.7693 Soluble
86 T S 0.0000 Buried
87 A S 0.0000 Buried
88 F S -0.5729 Soluble
89 L S 0.0000 Buried
90 D S -1.5236 Soluble
91 L S 0.0000 Buried
92 R S -2.5848 Soluble
93 S S -1.8901 Soluble
94 L S 0.0000 Buried
95 R S -2.7788 Soluble
96 P S -2.2105 Soluble
97 D S -2.3844 Soluble
98 D S 0.0000 Buried
99 T S -0.8925 Soluble
100 A S 0.0000 Buried
101 T S -0.1252 Soluble
102 Y S 0.0000 Buried
103 F S 0.0000 Buried
104 C S 0.0000 Buried
105 A S 0.0000 Buried
106 R S 0.0000 Buried
107 D S 0.0000 Buried
108 K S -0.5040 Soluble
109 V S -0.1924 Soluble
110 Q S -0.5141 Soluble
111 G S -0.9089 Soluble
111A R S -1.3824 Soluble
111B V S 0.2793 Aggregation-prone
111C E S -0.8161 Soluble
112C V S 0.6631 Aggregation-prone
112B G S 0.1377 Aggregation-prone
112A S S -0.1834 Soluble
112 G S -0.6695 Soluble
113 G S 0.0000 Buried
114 R S -0.2930 Soluble
115 H S 0.0000 Buried
116 D S -0.3128 Soluble
117 Y S -0.0841 Soluble
118 W S -0.1931 Soluble
119 G S 0.0000 Buried
120 Q S -1.3597 Soluble
121 G S -0.7305 Soluble
122 T S 0.0000 Buried
123 L S -0.0917 Soluble
124 V S 0.0000 Buried
125 I S 0.0000 Buried
126 V S 0.0000 Buried
127 S S -1.2441 Soluble
128 S S -0.9916 Soluble
129 A S -0.6183 Soluble
130 S S -0.5435 Soluble
131 T S -0.7317 Soluble
132 K S -1.4848 Soluble
133 G S -1.6096 Soluble
134 P S -0.7811 Soluble
135 S S -0.8116 Soluble
136 V S 0.0000 Buried
137 F S 0.0000 Buried
138 P S -1.3215 Soluble
139 L S 0.0000 Buried
140 A S -0.8268 Soluble
141 P S -0.6601 Soluble
142 G S -0.6265 Soluble
143 T S -0.4697 Soluble
144 A S -0.2864 Soluble
145 A S 0.0000 Buried
146 L S 0.0000 Buried
147 G S 0.0000 Buried
148 C S 0.0000 Buried
149 L S 0.0000 Buried
150 V S 0.0000 Buried
151 K S -0.3795 Soluble
152 D S -0.6553 Soluble
153 Y S 0.0000 Buried
154 F S -0.3359 Soluble
155 P S 0.0000 Buried
156 E S -0.3253 Soluble
157 P S -0.4000 Soluble
158 V S -0.2704 Soluble
159 T S -0.4373 Soluble
160 V S -0.1064 Soluble
161 S S -0.2725 Soluble
162 W S 0.0000 Buried
163 N S -0.3991 Soluble
164 S S -0.5301 Soluble
165 G S -0.3266 Soluble
166 A S -0.0755 Soluble
167 L S 0.0986 Aggregation-prone
168 T S -0.1647 Soluble
169 S S -0.2340 Soluble
170 G S -0.2529 Soluble
171 V S 0.0805 Aggregation-prone
172 H S -0.4394 Soluble
173 T S -0.0130 Soluble
174 F S 0.0000 Buried
175 P S -0.2802 Soluble
176 A S 0.3048 Aggregation-prone
177 V S 0.6853 Aggregation-prone
178 L S 1.4468 Aggregation-prone
179 Q S 0.3530 Aggregation-prone
180 S S -0.0889 Soluble
181 S S -0.2388 Soluble
182 G S -0.0388 Soluble
183 L S 0.0964 Aggregation-prone
184 Y S 0.4669 Aggregation-prone
185 S S 0.3346 Aggregation-prone
186 L S 0.0000 Buried
187 S S -0.0517 Soluble
188 S S 0.0000 Buried
189 V S 0.0000 Buried
190 V S 0.0000 Buried
191 T S -0.1416 Soluble
192 V S 0.0000 Buried
193 P S -0.3274 Soluble
194 S S -0.2188 Soluble
195 S S -0.2157 Soluble
196 S S 0.0587 Aggregation-prone
197 L S 0.4220 Aggregation-prone
198 G S -0.2762 Soluble
199 T S -0.2386 Soluble
200 Q S -0.4463 Soluble
201 T S -0.5229 Soluble
202 Y S 0.0000 Buried
203 I S -0.3683 Soluble
204 C S 0.0000 Buried
205 N S -1.3739 Soluble
206 V S 0.0000 Buried
207 N S -1.7518 Soluble
208 H S 0.0000 Buried
209 K S -2.7462 Soluble
210 P S -1.5765 Soluble
211 S S -1.8954 Soluble
212 N S -2.4488 Soluble
213 T S -2.2673 Soluble
214 K S -2.8937 Soluble
215 V S -2.0627 Soluble
216 D S -2.7234 Soluble
217 K S -2.2991 Soluble
218 K S -1.7130 Soluble
219 V S 0.0000 Buried
220 E S -1.9873 Soluble
221 P S -1.0375 Soluble
2 V T 1.0174 Aggregation-prone
3 V T 1.3876 Aggregation-prone
4 L T 0.0000 Buried
5 T T -0.5474 Soluble
6 Q T 0.0000 Buried
7 S T -0.9663 Soluble
8 P T -0.6859 Soluble
9 G T -0.9537 Soluble
10 T T -0.7557 Soluble
11 L T -0.5038 Soluble
12 A T -0.7124 Soluble
13 L T -1.1882 Soluble
14 P T -2.0415 Soluble
15 P T -2.2991 Soluble
16 G T -2.3931 Soluble
17 E T -3.4715 Soluble
18 R T -3.6985 Soluble
19 A T 0.0000 Buried
20 T T -0.9116 Soluble
21 L T 0.0000 Buried
22 S T -0.9930 Soluble
23 C T 0.0000 Buried
24 R T -2.6692 Soluble
25 A T -1.5057 Soluble
26 S T -0.8993 Soluble
27 H T -1.8240 Soluble
28 R T -2.8663 Soluble
29 V T 0.0000 Buried
30 G T -0.5744 Soluble
36 S T -0.6511 Soluble
37 T T 0.0674 Aggregation-prone
38 Y T 0.6141 Aggregation-prone
39 I T 0.0000 Buried
40 A T 0.0000 Buried
41 W T 0.0000 Buried
42 Y T 0.0000 Buried
43 Q T 0.0000 Buried
44 Q T 0.0000 Buried
45 K T -1.4647 Soluble
46 S T -1.3025 Soluble
47 G T -1.3450 Soluble
48 Q T -1.8911 Soluble
49 A T -1.2646 Soluble
50 P T 0.0000 Buried
51 R T -1.1234 Soluble
52 R T 0.0000 Buried
53 L T 0.0000 Buried
54 I T 0.0000 Buried
55 Y T -0.4508 Soluble
56 G T -0.4373 Soluble
57 A T 0.0000 Buried
65 S T -0.9009 Soluble
66 N T -1.3727 Soluble
67 R T -1.9398 Soluble
68 A T 0.0000 Buried
69 T T -1.2537 Soluble
70 D T -2.0851 Soluble
71 I T -1.4426 Soluble
72 P T -1.5529 Soluble
74 D T -2.7212 Soluble
75 R T -2.5999 Soluble
76 F T 0.0000 Buried
77 S T -1.2248 Soluble
78 G T -0.6050 Soluble
79 S T -0.8123 Soluble
80 G T -1.2196 Soluble
83 S T -1.1825 Soluble
84 G T -1.8263 Soluble
85 T T -2.4753 Soluble
86 D T -2.9350 Soluble
87 F T 0.0000 Buried
88 T T -0.9097 Soluble
89 L T 0.0000 Buried
90 T T -1.3389 Soluble
91 I T 0.0000 Buried
92 R T -3.6313 Soluble
93 R T -4.0975 Soluble
94 L T 0.0000 Buried
95 E T -2.7984 Soluble
96 P T -2.5693 Soluble
97 E T -2.8320 Soluble
98 D T 0.0000 Buried
99 S T -1.7714 Soluble
100 A T 0.0000 Buried
101 V T -0.6221 Soluble
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 Q T 0.0000 Buried
106 Q T 0.0000 Buried
107 F T 0.0000 Buried
108 S T 0.4913 Aggregation-prone
109 V T 1.1394 Aggregation-prone
114 S T 0.2395 Aggregation-prone
115 P T -0.2414 Soluble
116 W T 0.6695 Aggregation-prone
117 T T 0.4984 Aggregation-prone
118 F T 0.1401 Aggregation-prone
119 G T 0.0000 Buried
120 Q T -1.3794 Soluble
121 G T 0.0000 Buried
122 T T 0.0000 Buried
123 R T -1.3521 Soluble
124 V T 0.0000 Buried
125 E T -1.3884 Soluble
126 I T 0.0000 Buried
127 K T -1.9626 Soluble
128 R T -1.2318 Soluble
129 T T 0.0846 Aggregation-prone
130 V T 1.1311 Aggregation-prone
131 A T 0.4610 Aggregation-prone
132 A T 0.0402 Aggregation-prone
133 P T 0.0000 Buried
134 S T -0.1211 Soluble
135 V T 0.0000 Buried
136 F T 0.0281 Aggregation-prone
137 I T 0.0411 Aggregation-prone
138 F T 0.0000 Buried
139 P T -0.7372 Soluble
140 P T -0.7667 Soluble
141 S T 0.0000 Buried
142 D T -3.0633 Soluble
143 E T -3.2002 Soluble
144 Q T 0.0000 Buried
145 L T -2.3767 Soluble
146 K T -2.8487 Soluble
147 S T -1.8585 Soluble
148 G T -1.3198 Soluble
149 T T -0.9175 Soluble
150 A T 0.0000 Buried
151 S T 0.0000 Buried
152 V T 0.0000 Buried
153 V T 0.0000 Buried
154 C T 0.0000 Buried
155 L T 0.0000 Buried
156 L T 0.0000 Buried
157 N T 0.0000 Buried
158 N T -0.7528 Soluble
159 F T 0.0000 Buried
160 Y T 0.0000 Buried
161 P T -1.7975 Soluble
162 R T -3.2451 Soluble
163 E T -3.3177 Soluble
164 A T -2.3846 Soluble
165 K T -2.4591 Soluble
166 V T -0.9761 Soluble
167 Q T -0.5150 Soluble
168 W T 0.0000 Buried
169 K T -0.6378 Soluble
170 V T 0.0000 Buried
171 D T -1.8514 Soluble
172 N T -1.5075 Soluble
173 A T -0.3430 Soluble
174 L T 0.7151 Aggregation-prone
175 Q T -0.0801 Soluble
176 S T -0.4938 Soluble
177 G T -0.9408 Soluble
178 N T -0.8939 Soluble
179 S T -1.1312 Soluble
180 Q T -1.4141 Soluble
181 E T -1.9176 Soluble
182 S T -0.8533 Soluble
183 V T -0.8161 Soluble
184 T T -1.1893 Soluble
185 E T -2.3708 Soluble
186 Q T -2.0895 Soluble
187 D T -2.2994 Soluble
188 S T -2.4937 Soluble
189 K T -2.8359 Soluble
190 D T -2.1016 Soluble
191 S T 0.0000 Buried
192 T T 0.0000 Buried
193 Y T 0.0000 Buried
194 S T 0.0000 Buried
195 L T 0.0000 Buried
196 S T 0.0000 Buried
197 S T 0.0000 Buried
198 T T -0.7304 Soluble
199 L T 0.0000 Buried
200 T T -0.4588 Soluble
201 L T -0.6919 Soluble
202 S T -1.2659 Soluble
203 K T -2.1766 Soluble
204 A T -1.9165 Soluble
205 D T -2.6852 Soluble
206 Y T 0.0000 Buried
207 E T -3.4821 Soluble
208 K T -3.5694 Soluble
209 H T -2.8808 Soluble
210 K T -3.0205 Soluble
211 V T -1.3548 Soluble
212 Y T 0.0000 Buried
213 A T 0.0000 Buried
214 C T 0.0000 Buried
215 E T -0.9441 Soluble
216 V T 0.0000 Buried
217 T T -1.1178 Soluble
218 H T 0.0000 Buried
219 Q T -1.6705 Soluble
220 G T -0.2232 Soluble
221 L T -0.0957 Soluble
222 S T -0.4387 Soluble
223 S T -0.3330 Soluble
224 P T -0.3649 Soluble
225 V T 0.2286 Aggregation-prone
226 T T -0.5301 Soluble
227 K T -1.0554 Soluble
228 S T -0.7955 Soluble
229 F T -1.0373 Soluble
230 N T -2.0370 Soluble
231 R T -2.6148 Soluble
232 G T -2.2176 Soluble
233 E T -2.5366 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
Load structure at specific pH condition
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 -0.722 3.2222 CSV PDB
4.5 -0.7695 3.1975 CSV PDB
5.0 -0.8253 3.1644 CSV PDB
5.5 -0.8782 3.1272 CSV PDB
6.0 -0.9169 3.0883 CSV PDB
6.5 -0.9335 3.049 CSV PDB
7.0 -0.9278 3.0095 CSV PDB
7.5 -0.9071 2.9702 CSV PDB
8.0 -0.8781 2.9314 CSV PDB
8.5 -0.8427 2.8945 CSV PDB
9.0 -0.8003 2.862 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH