Navivumab / 4ubd

A4DAB176_4ubd_O_P | Source PDB: 4ubd | Chains: O, P | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7086
Max Score
1.8261
Min Score
-4.0724
Total Score
-306.13
Score CDR
-0.0792
Score non-CDR
-0.7986

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) O (Heavy), P (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 -4.0724
Maximum Score 1.8261
Average Score -0.7086
Total Score -306.1343

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

Index Residue Chain A4D Score Classification
1 Q O -1.5280 Soluble
2 V O -1.0673 Soluble
3 Q O -1.2933 Soluble
4 L O 0.0000 Buried
5 V O 0.5553 Aggregation-prone
6 Q O 0.0000 Buried
7 S O -0.6395 Soluble
8 G O -0.7835 Soluble
9 A O -0.7530 Soluble
11 E O -1.2584 Soluble
12 V O -0.6095 Soluble
13 K O -1.6923 Soluble
14 K O -2.4176 Soluble
15 P O -2.2583 Soluble
16 G O -1.7666 Soluble
17 A O -1.5487 Soluble
18 S O -2.0670 Soluble
19 V O 0.0000 Buried
20 K O -2.3084 Soluble
21 V O 0.0000 Buried
22 S O -0.5987 Soluble
23 C O 0.0000 Buried
24 K O -1.1843 Soluble
25 T O 0.0000 Buried
26 S O -1.0251 Soluble
27 G O -1.1504 Soluble
28 Y O -0.5030 Soluble
29 S O -0.2250 Soluble
30 F O 0.0000 Buried
35 S O 0.2157 Aggregation-prone
36 T O -0.2121 Soluble
37 Y O -0.0025 Soluble
38 G O 0.0000 Buried
39 V O 0.0000 Buried
40 S O 0.0000 Buried
41 W O 0.0000 Buried
42 V O 0.0000 Buried
43 R O 0.0000 Buried
44 Q O -0.7197 Soluble
45 A O -1.0522 Soluble
46 P O -0.9081 Soluble
47 G O -1.2580 Soluble
48 Q O -1.8470 Soluble
49 G O -1.2637 Soluble
50 P O 0.0000 Buried
51 E O -0.7683 Soluble
52 W O 0.0000 Buried
53 V O 0.0000 Buried
54 G O 0.0000 Buried
55 W O 0.0000 Buried
56 I O 0.0000 Buried
57 S O 0.0000 Buried
58 A O 0.7418 Aggregation-prone
59 Y O 1.4010 Aggregation-prone
62 T O 0.9307 Aggregation-prone
63 G O 0.8204 Aggregation-prone
64 I O 1.8261 Aggregation-prone
65 T O 0.6018 Aggregation-prone
66 D O -0.3967 Soluble
67 Y O -1.0041 Soluble
68 A O 0.0000 Buried
69 Q O -2.5311 Soluble
70 K O -2.6621 Soluble
71 F O 0.0000 Buried
72 Q O -2.3899 Soluble
74 G O -1.7796 Soluble
75 R O -1.7937 Soluble
76 V O 0.0000 Buried
77 T O -0.9792 Soluble
78 L O 0.0000 Buried
79 T O -0.0859 Soluble
80 T O -0.2858 Soluble
81 D O -0.9148 Soluble
82 A O -0.2581 Soluble
83 T O -0.2920 Soluble
84 T O -0.5656 Soluble
85 A O -0.7072 Soluble
86 T O 0.0000 Buried
87 A O 0.0000 Buried
88 F O -0.6189 Soluble
89 L O 0.0000 Buried
90 D O -1.7738 Soluble
91 L O 0.0000 Buried
92 R O -2.5872 Soluble
93 S O -1.8786 Soluble
94 L O 0.0000 Buried
95 R O -2.7765 Soluble
96 P O -2.2122 Soluble
97 D O -2.3871 Soluble
98 D O 0.0000 Buried
99 T O -0.9098 Soluble
100 A O 0.0000 Buried
101 T O -0.1772 Soluble
102 Y O 0.0000 Buried
103 F O 0.0000 Buried
104 C O 0.0000 Buried
105 A O 0.0000 Buried
106 R O 0.0000 Buried
107 D O 0.0000 Buried
108 K O -0.7585 Soluble
109 V O -0.3270 Soluble
110 Q O -0.5806 Soluble
111 G O -0.9341 Soluble
111A R O -1.4332 Soluble
111B V O 0.2705 Aggregation-prone
111C E O -0.8650 Soluble
112C V O 0.6127 Aggregation-prone
112B G O 0.1269 Aggregation-prone
112A S O -0.2150 Soluble
112 G O -0.7636 Soluble
113 G O 0.0000 Buried
114 R O -0.3966 Soluble
115 H O 0.0000 Buried
116 D O -0.4363 Soluble
117 Y O -0.0874 Soluble
118 W O -0.2024 Soluble
119 G O 0.0000 Buried
120 Q O -1.2115 Soluble
121 G O -0.6528 Soluble
122 T O 0.0000 Buried
123 L O -0.1154 Soluble
124 V O 0.0000 Buried
125 I O 0.0000 Buried
126 V O 0.0000 Buried
127 S O -1.2610 Soluble
128 S O -1.0222 Soluble
129 A O -0.6581 Soluble
130 S O -0.5777 Soluble
131 T O -0.8234 Soluble
132 K O -1.5229 Soluble
133 G O -1.4900 Soluble
134 P O -0.7212 Soluble
135 S O -0.5332 Soluble
136 V O 0.0000 Buried
137 F O 0.0000 Buried
138 P O -1.2672 Soluble
139 L O 0.0000 Buried
140 A O -0.8257 Soluble
141 P O -0.6651 Soluble
142 G O -0.6222 Soluble
143 T O -0.4629 Soluble
144 A O -0.2803 Soluble
145 A O 0.0000 Buried
146 L O 0.0000 Buried
147 G O 0.0000 Buried
148 C O 0.0000 Buried
149 L O 0.0000 Buried
150 V O 0.0000 Buried
151 K O -0.3109 Soluble
152 D O -0.5760 Soluble
153 Y O 0.0000 Buried
154 F O -0.4561 Soluble
155 P O 0.0000 Buried
156 E O -0.5205 Soluble
157 P O -0.4971 Soluble
158 V O -0.3150 Soluble
159 T O -0.4583 Soluble
160 V O -0.0468 Soluble
161 S O -0.2058 Soluble
162 W O 0.0000 Buried
163 N O -0.3766 Soluble
164 S O -0.4759 Soluble
165 G O -0.3341 Soluble
166 A O -0.0807 Soluble
167 L O 0.1171 Aggregation-prone
168 T O -0.1538 Soluble
169 S O -0.2356 Soluble
170 G O -0.2744 Soluble
171 V O 0.0821 Aggregation-prone
172 H O -0.4096 Soluble
173 T O 0.0184 Aggregation-prone
174 F O 0.0000 Buried
175 P O -0.2769 Soluble
176 A O 0.2035 Aggregation-prone
177 V O 0.4846 Aggregation-prone
178 L O 0.9262 Aggregation-prone
179 Q O 0.0997 Aggregation-prone
180 S O -0.1969 Soluble
181 S O -0.3129 Soluble
182 G O -0.1660 Soluble
183 L O -0.0652 Soluble
184 Y O 0.2728 Aggregation-prone
185 S O 0.2706 Aggregation-prone
186 L O 0.0000 Buried
187 S O -0.0505 Soluble
188 S O 0.0000 Buried
189 V O 0.0000 Buried
190 V O 0.0000 Buried
191 T O -0.1477 Soluble
192 V O 0.0000 Buried
193 P O -0.3450 Soluble
194 S O -0.2417 Soluble
195 S O -0.2701 Soluble
196 S O -0.0485 Soluble
197 L O 0.2095 Aggregation-prone
198 G O -0.3985 Soluble
199 T O -0.3509 Soluble
200 Q O -0.6183 Soluble
201 T O -0.6536 Soluble
202 Y O 0.0000 Buried
203 I O -0.2966 Soluble
204 C O 0.0000 Buried
205 N O -1.1378 Soluble
206 V O 0.0000 Buried
207 N O -1.5986 Soluble
208 H O 0.0000 Buried
209 K O -2.5449 Soluble
210 P O -1.5120 Soluble
211 S O -1.8072 Soluble
212 N O -2.3362 Soluble
213 T O -2.0862 Soluble
214 K O -2.6258 Soluble
215 V O -1.6132 Soluble
216 D O -2.0125 Soluble
217 K O -2.0339 Soluble
218 K O -1.6933 Soluble
219 V O 0.0000 Buried
220 E O -2.0411 Soluble
221 P O -1.0675 Soluble
2 V P 1.0215 Aggregation-prone
3 V P 1.3814 Aggregation-prone
4 L P 0.0000 Buried
5 T P -0.5374 Soluble
6 Q P 0.0000 Buried
7 S P -0.9310 Soluble
8 P P -0.6456 Soluble
9 G P -0.8942 Soluble
10 T P -0.6707 Soluble
11 L P -0.4563 Soluble
12 A P -0.7029 Soluble
13 L P -1.1706 Soluble
14 P P -1.9937 Soluble
15 P P -2.2433 Soluble
16 G P -2.3644 Soluble
17 E P -3.3481 Soluble
18 R P -3.6585 Soluble
19 A P 0.0000 Buried
20 T P -0.9094 Soluble
21 L P 0.0000 Buried
22 S P -0.9774 Soluble
23 C P 0.0000 Buried
24 R P -2.6519 Soluble
25 A P -1.4980 Soluble
26 S P -0.8997 Soluble
27 H P -1.9278 Soluble
28 R P -2.8480 Soluble
29 V P 0.0000 Buried
30 G P -0.5131 Soluble
36 S P -0.5496 Soluble
37 T P 0.1217 Aggregation-prone
38 Y P 0.7301 Aggregation-prone
39 I P 0.0000 Buried
40 A P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P 0.0000 Buried
45 K P -1.4565 Soluble
46 S P -1.3316 Soluble
47 G P -1.3540 Soluble
48 Q P -1.8911 Soluble
49 A P -1.2651 Soluble
50 P P 0.0000 Buried
51 R P -1.0792 Soluble
52 R P 0.0000 Buried
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P -0.4250 Soluble
56 G P -0.3961 Soluble
57 A P 0.0000 Buried
65 S P -0.8818 Soluble
66 N P -1.3641 Soluble
67 R P -1.8808 Soluble
68 A P -1.2349 Soluble
69 T P -1.2514 Soluble
70 D P -2.0781 Soluble
71 I P -1.4360 Soluble
72 P P -1.5440 Soluble
74 D P -2.7163 Soluble
75 R P -2.5009 Soluble
76 F P 0.0000 Buried
77 S P -1.2371 Soluble
78 G P -0.5822 Soluble
79 S P -0.7962 Soluble
80 G P -1.2063 Soluble
83 S P -1.1463 Soluble
84 G P -1.7758 Soluble
85 T P -2.4472 Soluble
86 D P -2.8713 Soluble
87 F P 0.0000 Buried
88 T P -0.9006 Soluble
89 L P 0.0000 Buried
90 T P -1.3533 Soluble
91 I P 0.0000 Buried
92 R P -3.6572 Soluble
93 R P -4.0724 Soluble
94 L P 0.0000 Buried
95 E P -2.6951 Soluble
96 P P -2.5544 Soluble
97 E P -2.8117 Soluble
98 D P 0.0000 Buried
99 S P -1.6865 Soluble
100 A P 0.0000 Buried
101 V P -0.5547 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 Q P 0.0000 Buried
106 Q P 0.0000 Buried
107 F P 0.0000 Buried
108 S P 0.5806 Aggregation-prone
109 V P 1.3508 Aggregation-prone
114 S P 0.3238 Aggregation-prone
115 P P -0.1646 Soluble
116 W P 0.7147 Aggregation-prone
117 T P 0.5238 Aggregation-prone
118 F P 0.1411 Aggregation-prone
119 G P 0.0000 Buried
120 Q P -1.4011 Soluble
121 G P 0.0000 Buried
122 T P 0.0000 Buried
123 R P -1.1646 Soluble
124 V P 0.0000 Buried
125 E P -1.3428 Soluble
126 I P 0.0000 Buried
127 K P -1.9980 Soluble
128 R P -1.3469 Soluble
129 T P -0.1001 Soluble
130 V P 0.7432 Aggregation-prone
131 A P 0.2858 Aggregation-prone
132 A P -0.0282 Soluble
133 P P 0.0000 Buried
134 S P -0.1863 Soluble
135 V P 0.0000 Buried
136 F P 0.0160 Aggregation-prone
137 I P 0.0290 Aggregation-prone
138 F P 0.0000 Buried
139 P P -0.7467 Soluble
140 P P -0.7118 Soluble
141 S P 0.0000 Buried
142 D P -2.8644 Soluble
143 E P -2.7788 Soluble
144 Q P 0.0000 Buried
145 L P -2.2682 Soluble
146 K P -2.7536 Soluble
147 S P -1.7693 Soluble
148 G P -1.3033 Soluble
149 T P -0.9447 Soluble
150 A P 0.0000 Buried
151 S P 0.0000 Buried
152 V P 0.0000 Buried
153 V P 0.0000 Buried
154 C P 0.0000 Buried
155 L P 0.0000 Buried
156 L P 0.0000 Buried
157 N P 0.0000 Buried
158 N P -0.7157 Soluble
159 F P 0.0000 Buried
160 Y P 0.0000 Buried
161 P P -1.8662 Soluble
162 R P -3.1876 Soluble
163 E P -3.2714 Soluble
164 A P -2.2550 Soluble
165 K P -2.2154 Soluble
166 V P -0.8367 Soluble
167 Q P -0.4261 Soluble
168 W P 0.0000 Buried
169 K P -0.6221 Soluble
170 V P 0.0000 Buried
171 D P -1.9176 Soluble
172 N P -1.5350 Soluble
173 A P -0.3440 Soluble
174 L P 0.7100 Aggregation-prone
175 Q P -0.0954 Soluble
176 S P -0.5463 Soluble
177 G P -1.0116 Soluble
178 N P -0.9641 Soluble
179 S P -1.2644 Soluble
180 Q P -1.7232 Soluble
181 E P -1.7221 Soluble
182 S P -0.7428 Soluble
183 V P -0.5578 Soluble
184 T P -1.0580 Soluble
185 E P -2.2791 Soluble
186 Q P -1.9984 Soluble
187 D P -2.1905 Soluble
188 S P -2.4652 Soluble
189 K P -2.9082 Soluble
190 D P -2.3284 Soluble
191 S P 0.0000 Buried
192 T P 0.0000 Buried
193 Y P 0.0000 Buried
194 S P 0.0000 Buried
195 L P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 T P -0.7902 Soluble
199 L P 0.0000 Buried
200 T P -0.5106 Soluble
201 L P -0.6873 Soluble
202 S P -1.2745 Soluble
203 K P -2.1979 Soluble
204 A P -1.9063 Soluble
205 D P -2.6607 Soluble
206 Y P 0.0000 Buried
207 E P -3.4338 Soluble
208 K P -3.5808 Soluble
209 H P -2.9922 Soluble
210 K P -3.2908 Soluble
211 V P -1.5046 Soluble
212 Y P 0.0000 Buried
213 A P 0.0000 Buried
214 C P 0.0000 Buried
215 E P -0.8233 Soluble
216 V P 0.0000 Buried
217 T P -1.0248 Soluble
218 H P 0.0000 Buried
219 Q P -1.7239 Soluble
220 G P -0.5157 Soluble
221 L P -0.1453 Soluble
222 S P -0.4478 Soluble
223 S P -0.3477 Soluble
224 P P -0.3492 Soluble
225 V P 0.2630 Aggregation-prone
226 T P -0.4982 Soluble
227 K P -1.0599 Soluble
228 S P -0.8137 Soluble
229 F P -1.1301 Soluble
230 N P -2.1641 Soluble
231 R P -2.7291 Soluble
232 G P -2.2615 Soluble
233 E P -2.5799 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 -0.7218 3.2317 CSV PDB
4.5 -0.7675 3.219 CSV PDB
5.0 -0.8208 3.1974 CSV PDB
5.5 -0.8709 3.1696 CSV PDB
6.0 -0.9066 3.1389 CSV PDB
6.5 -0.9196 3.1071 CSV PDB
7.0 -0.9101 3.075 CSV PDB
7.5 -0.8861 3.0428 CSV PDB
8.0 -0.8543 3.0107 CSV PDB
8.5 -0.8164 2.9791 CSV PDB
9.0 -0.7722 2.9489 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH