Bapineuzumab / 4ojf

A4DAB033_4ojf_H_L | Source PDB: 4ojf | Chains: H, L | Done
98.26
Yes
10 Å
Yes
Avg A4D Score
-0.7003
Max Score
1.9451
Min Score
-3.6413
Total Score
-306.73
Score CDR
-0.4708
Score non-CDR
-0.7306

Calculation Parameters

Chain Sequence(s) VQLLESGGGLVQPGGSLRLSCAASGFTFSNYGMSWVRQAPGKGLEWVASIRSGGGRTYYSDNVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCVRYDHYSGSSDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPQPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKYVVMTQSPLSLPVTPGEPASISCKSSQSLLDSDGKTYLNWLLQKPGQSPQRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCWQGTHFPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) H (Heavy), L (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 -3.6413
Maximum Score 1.9451
Average Score -0.7003
Total Score -306.734

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

Index Residue Chain A4D Score Classification
2 V H 1.2344 Aggregation-prone
3 Q H 0.1556 Aggregation-prone
4 L H 0.0000 Buried
5 L H 0.5105 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5455 Soluble
8 G H -0.9200 Soluble
9 G H -0.7225 Soluble
11 G H -0.5426 Soluble
12 L H -0.1268 Soluble
13 V H 0.0000 Buried
14 Q H -1.6669 Soluble
15 P H -1.7541 Soluble
16 G H -1.4238 Soluble
17 G H 0.0000 Buried
18 S H -1.3071 Soluble
19 L H -1.2666 Soluble
20 R H -2.3064 Soluble
21 L H 0.0000 Buried
22 S H -0.5898 Soluble
23 C H 0.0000 Buried
24 A H -0.2358 Soluble
25 A H 0.0000 Buried
26 S H 0.0038 Aggregation-prone
27 G H 0.0886 Aggregation-prone
28 F H 0.0950 Aggregation-prone
29 T H -0.3389 Soluble
30 F H 0.0000 Buried
35 S H -1.2557 Soluble
36 N H -1.4757 Soluble
37 Y H -0.9182 Soluble
38 G H 0.0000 Buried
39 M H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7945 Soluble
45 A H -1.1467 Soluble
46 P H -0.9939 Soluble
47 G H -1.4662 Soluble
48 K H -2.3393 Soluble
49 G H -1.5277 Soluble
50 L H 0.0000 Buried
51 E H -0.8989 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H -0.5980 Soluble
56 I H 0.0000 Buried
57 R H -2.9218 Soluble
58 S H -2.0777 Soluble
59 G H -2.0961 Soluble
62 G H -1.9399 Soluble
63 G H -2.3028 Soluble
64 R H -2.9001 Soluble
65 T H -1.4465 Soluble
66 Y H -0.4694 Soluble
67 Y H -0.8708 Soluble
68 S H -1.5336 Soluble
69 D H -2.9193 Soluble
70 N H -2.8404 Soluble
71 V H 0.0000 Buried
72 K H -2.7398 Soluble
74 G H -1.7374 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.8821 Soluble
78 I H 0.0000 Buried
79 S H -0.9986 Soluble
80 R H -1.2819 Soluble
81 D H -1.5218 Soluble
82 N H -1.8137 Soluble
83 A H -1.4118 Soluble
84 K H -2.2836 Soluble
85 N H -1.7109 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.7117 Soluble
89 L H 0.0000 Buried
90 Q H -1.6696 Soluble
91 M H 0.0000 Buried
92 N H -1.3450 Soluble
93 S H -1.1619 Soluble
94 L H 0.0000 Buried
95 R H -2.3544 Soluble
96 A H -1.7717 Soluble
97 E H -2.3878 Soluble
98 D H 0.0000 Buried
99 T H -0.7591 Soluble
100 A H 0.0000 Buried
101 L H 0.1374 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 V H 0.0000 Buried
106 R H 0.0000 Buried
107 Y H 0.1786 Aggregation-prone
108 D H 0.1487 Aggregation-prone
109 H H -0.1556 Soluble
110 Y H 0.9588 Aggregation-prone
112 S H 0.0000 Buried
113 G H -0.0107 Soluble
114 S H 0.0000 Buried
115 S H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.7688 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2901 Soluble
121 G H 0.0000 Buried
122 T H -0.1548 Soluble
123 L H -0.0276 Soluble
124 V H 0.0000 Buried
125 T H -0.4851 Soluble
126 V H 0.0000 Buried
127 S H -0.9892 Soluble
128 S H -0.6590 Soluble
129 A H -0.4610 Soluble
130 S H -0.6084 Soluble
131 T H -0.6479 Soluble
132 K H -1.2981 Soluble
133 G H -1.4235 Soluble
134 P H -0.6342 Soluble
135 S H -0.5145 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1400 Soluble
139 L H 0.0000 Buried
140 A H -1.1646 Soluble
141 P H -0.9940 Soluble
142 S H -1.1091 Soluble
143 S H -1.8282 Soluble
144 K H -1.9672 Soluble
145 S H -1.4595 Soluble
146 T H -0.9142 Soluble
147 S H -0.7914 Soluble
148 G H -0.7909 Soluble
149 G H -0.7680 Soluble
150 T H -0.5553 Soluble
151 A H -0.4722 Soluble
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.3270 Soluble
159 D H -0.4612 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 Q H -0.3033 Soluble
164 P H -0.5524 Soluble
165 V H -0.5218 Soluble
166 T H -0.4564 Soluble
167 V H -0.1077 Soluble
168 S H -0.3815 Soluble
169 W H 0.0000 Buried
170 N H -0.7607 Soluble
171 S H -0.7006 Soluble
172 G H -0.5239 Soluble
173 A H -0.2260 Soluble
174 L H 0.0288 Aggregation-prone
175 T H -0.1526 Soluble
176 S H -0.1668 Soluble
177 G H -0.1942 Soluble
178 V H 0.1743 Aggregation-prone
179 H H -0.1705 Soluble
180 T H 0.0146 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2091 Soluble
183 A H 0.1655 Aggregation-prone
184 V H 0.3329 Aggregation-prone
185 L H 0.9931 Aggregation-prone
186 Q H 0.1654 Aggregation-prone
187 S H -0.1111 Soluble
188 S H -0.2337 Soluble
189 G H -0.0091 Soluble
190 L H 0.0595 Aggregation-prone
191 Y H 0.3784 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1135 Soluble
199 V H 0.0000 Buried
200 P H -0.4118 Soluble
201 S H -0.6829 Soluble
202 S H -0.5113 Soluble
203 S H -0.5524 Soluble
204 L H -0.5811 Soluble
205 G H -0.9212 Soluble
206 T H -0.7348 Soluble
207 Q H -1.1080 Soluble
208 T H -1.0516 Soluble
209 Y H 0.0000 Buried
210 I H -1.2604 Soluble
211 C H 0.0000 Buried
212 N H -1.3767 Soluble
213 V H 0.0000 Buried
214 N H -1.7294 Soluble
215 H H 0.0000 Buried
216 K H -2.7136 Soluble
217 P H -1.5472 Soluble
218 S H -1.8198 Soluble
219 N H -2.5045 Soluble
220 T H -2.0489 Soluble
221 K H -2.5746 Soluble
222 V H -1.3809 Soluble
223 D H -2.3553 Soluble
224 K H -1.7917 Soluble
225 K H -2.2192 Soluble
226 V H 0.0000 Buried
227 E H -2.6568 Soluble
228 P H -2.0767 Soluble
229 K H -2.7092 Soluble
1 Y L 1.9451 Aggregation-prone
2 V L 0.0000 Buried
3 V L 1.6905 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.2364 Soluble
6 Q L 0.0000 Buried
7 S L -0.0590 Soluble
8 P L 0.3482 Aggregation-prone
9 L L 0.9780 Aggregation-prone
10 S L 0.1884 Aggregation-prone
11 L L -0.1269 Soluble
12 P L -0.7917 Soluble
13 V L 0.0000 Buried
14 T L -1.7445 Soluble
15 P L -1.9429 Soluble
16 G L -2.0781 Soluble
17 E L -2.9110 Soluble
18 P L -2.3957 Soluble
19 A L 0.0000 Buried
20 S L -0.7593 Soluble
21 I L 0.0000 Buried
22 S L -0.7899 Soluble
23 C L 0.0000 Buried
24 K L -1.6607 Soluble
25 S L 0.0000 Buried
26 S L -0.1747 Soluble
27 Q L -0.4627 Soluble
28 S L -0.4738 Soluble
29 L L 0.0000 Buried
30 L L 0.2652 Aggregation-prone
31 D L -1.0532 Soluble
32 S L -1.3207 Soluble
34 D L -2.3843 Soluble
35 G L -1.7462 Soluble
36 K L -1.6378 Soluble
37 T L -0.5286 Soluble
38 Y L 0.0000 Buried
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 L L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L -0.9704 Soluble
45 K L -1.4838 Soluble
46 P L -1.2605 Soluble
47 G L -1.4804 Soluble
48 Q L -1.9811 Soluble
49 S L -1.3746 Soluble
50 P L 0.0000 Buried
51 Q L -1.1565 Soluble
52 R L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3309 Soluble
56 L L -0.3491 Soluble
57 V L 0.0000 Buried
65 S L -0.9416 Soluble
66 K L -1.5917 Soluble
67 L L -1.0662 Soluble
68 D L -1.0660 Soluble
69 S L -0.7022 Soluble
70 G L -0.8401 Soluble
71 V L 0.0000 Buried
72 P L -1.2576 Soluble
74 D L -2.1123 Soluble
75 R L -2.2133 Soluble
76 F L 0.0000 Buried
77 S L -1.4705 Soluble
78 G L 0.0000 Buried
79 S L -1.0257 Soluble
80 G L -1.0752 Soluble
83 S L -0.7193 Soluble
84 G L -0.6162 Soluble
85 T L -1.2848 Soluble
86 D L -2.2655 Soluble
87 F L 0.0000 Buried
88 T L -1.0896 Soluble
89 L L 0.0000 Buried
90 K L -1.8099 Soluble
91 I L 0.0000 Buried
92 S L -2.4259 Soluble
93 R L -3.2656 Soluble
94 V L 0.0000 Buried
95 E L -2.5424 Soluble
96 A L -2.2330 Soluble
97 E L -2.5731 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 G L 0.0000 Buried
101 V L -0.2073 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 W L 0.0000 Buried
106 Q L 0.0000 Buried
107 G L -0.0456 Soluble
108 T L -0.1841 Soluble
109 H L 0.7122 Aggregation-prone
114 F L 1.8522 Aggregation-prone
115 P L 0.9449 Aggregation-prone
116 R L 0.4244 Aggregation-prone
117 T L 0.5211 Aggregation-prone
118 F L -0.0064 Soluble
119 G L 0.0000 Buried
120 Q L -0.8576 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.5955 Soluble
124 V L 0.0000 Buried
125 E L -1.0669 Soluble
126 I L 0.0000 Buried
127 K L -1.2849 Soluble
128 R L -0.8028 Soluble
129 T L 0.2826 Aggregation-prone
130 V L 1.0471 Aggregation-prone
131 A L 0.3081 Aggregation-prone
132 A L 0.0356 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1787 Soluble
135 V L 0.0000 Buried
136 F L -0.0530 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L 0.0000 Buried
140 P L 0.0000 Buried
141 S L -1.8059 Soluble
142 D L -3.1407 Soluble
143 E L -3.0276 Soluble
144 Q L 0.0000 Buried
145 L L -2.0978 Soluble
146 K L -2.8177 Soluble
147 S L -1.8397 Soluble
148 G L -1.3021 Soluble
149 T L -1.0113 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.9170 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4933 Soluble
162 R L -2.7308 Soluble
163 E L -3.1166 Soluble
164 A L -2.1912 Soluble
165 K L -2.0931 Soluble
166 V L -0.9504 Soluble
167 Q L -0.6387 Soluble
168 W L 0.0000 Buried
169 K L -0.6708 Soluble
170 V L 0.0000 Buried
171 D L -1.6111 Soluble
172 N L -1.2513 Soluble
173 A L -0.2683 Soluble
174 L L 0.5668 Aggregation-prone
175 Q L -0.2804 Soluble
176 S L -0.5523 Soluble
177 G L -0.8978 Soluble
178 N L -0.8158 Soluble
179 S L -1.1622 Soluble
180 Q L -1.4166 Soluble
181 E L -1.9496 Soluble
182 S L -0.9184 Soluble
183 V L -0.5473 Soluble
184 T L -0.6746 Soluble
185 E L -1.1684 Soluble
186 Q L 0.0000 Buried
187 D L -1.8476 Soluble
188 S L -2.2066 Soluble
189 K L -2.6890 Soluble
190 D L -1.8850 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6893 Soluble
199 L L 0.0000 Buried
200 T L -0.2902 Soluble
201 L L -0.6244 Soluble
202 S L -1.2571 Soluble
203 K L -2.0077 Soluble
204 A L -1.9087 Soluble
205 D L -2.5251 Soluble
206 Y L 0.0000 Buried
207 E L -3.6413 Soluble
208 K L -3.5396 Soluble
209 H L -2.9814 Soluble
210 K L -3.0973 Soluble
211 V L -1.7331 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6831 Soluble
216 V L 0.0000 Buried
217 T L -1.0826 Soluble
218 H L 0.0000 Buried
219 Q L -1.5608 Soluble
220 G L -0.2227 Soluble
221 L L -0.1253 Soluble
222 S L -0.4279 Soluble
223 S L -0.4092 Soluble
224 P L -0.4448 Soluble
225 V L -0.0194 Soluble
226 T L -0.5839 Soluble
227 K L -0.9494 Soluble
228 S L -0.8248 Soluble
229 F L -1.4028 Soluble
230 N L -2.5828 Soluble
231 R L -2.6921 Soluble
232 G L -2.1112 Soluble
233 E L -2.6675 Soluble
234 C L -1.8885 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
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 -0.7295 4.1928 CSV PDB
4.5 -0.7706 4.1962 CSV PDB
5.0 -0.8174 4.2055 CSV PDB
5.5 -0.8597 4.2259 CSV PDB
6.0 -0.8867 4.257 CSV PDB
6.5 -0.8903 4.287 CSV PDB
7.0 -0.871 4.3056 CSV PDB
7.5 -0.8362 4.3138 CSV PDB
8.0 -0.7924 4.3166 CSV PDB
8.5 -0.7418 4.3173 CSV PDB
9.0 -0.685 4.3167 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH