Bapineuzumab / 4hix

A4DAB033_4hix_H_L | Source PDB: 4hix | Chains: H, L | Done
98.26
Yes
10 Å
Yes
Avg A4D Score
-0.7262
Max Score
1.896
Min Score
-3.7917
Total Score
-318.08
Score CDR
-0.5081
Score non-CDR
-0.755

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 -3.7917
Maximum Score 1.896
Average Score -0.7262
Total Score -318.0785

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

Index Residue Chain A4D Score Classification
2 V H 1.2070 Aggregation-prone
3 Q H 0.0334 Aggregation-prone
4 L H 0.0000 Buried
5 L H 0.5033 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4920 Soluble
8 G H -0.8791 Soluble
9 G H -0.4480 Soluble
11 G H -0.4529 Soluble
12 L H -0.1031 Soluble
13 V H 0.0000 Buried
14 Q H -1.6545 Soluble
15 P H -1.8280 Soluble
16 G H -1.5427 Soluble
17 G H 0.0000 Buried
18 S H -1.5608 Soluble
19 L H -1.4020 Soluble
20 R H -2.3440 Soluble
21 L H 0.0000 Buried
22 S H -0.5113 Soluble
23 C H 0.0000 Buried
24 A H -0.3005 Soluble
25 A H 0.0000 Buried
26 S H -0.1283 Soluble
27 G H 0.0901 Aggregation-prone
28 F H 0.0540 Aggregation-prone
29 T H -0.4199 Soluble
30 F H 0.0000 Buried
35 S H -1.3995 Soluble
36 N H -1.6857 Soluble
37 Y H -0.8425 Soluble
38 G H -1.3260 Soluble
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 -0.8026 Soluble
45 A H -1.1348 Soluble
46 P H -0.9999 Soluble
47 G H -1.4720 Soluble
48 K H -2.3669 Soluble
49 G H -1.5652 Soluble
50 L H 0.0000 Buried
51 E H -1.1002 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H -0.5699 Soluble
56 I H 0.0000 Buried
57 R H -2.9777 Soluble
58 S H -2.2020 Soluble
59 G H -2.1139 Soluble
62 G H -1.9396 Soluble
63 G H -2.3320 Soluble
64 R H -2.9206 Soluble
65 T H -1.4819 Soluble
66 Y H -0.5374 Soluble
67 Y H -0.9014 Soluble
68 S H -1.4178 Soluble
69 D H -2.8257 Soluble
70 N H -2.6485 Soluble
71 V H 0.0000 Buried
72 K H -2.7608 Soluble
74 G H -1.9171 Soluble
75 R H -1.6966 Soluble
76 F H 0.0000 Buried
77 T H -1.0108 Soluble
78 I H 0.0000 Buried
79 S H -0.9953 Soluble
80 R H -1.3115 Soluble
81 D H -1.5683 Soluble
82 N H -1.9183 Soluble
83 A H -1.4672 Soluble
84 K H -2.3625 Soluble
85 N H -1.9083 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.6445 Soluble
89 L H 0.0000 Buried
90 Q H -1.7376 Soluble
91 M H 0.0000 Buried
92 N H -2.1619 Soluble
93 S H -1.5417 Soluble
94 L H 0.0000 Buried
95 R H -2.3961 Soluble
96 A H -1.7366 Soluble
97 E H -2.3506 Soluble
98 D H 0.0000 Buried
99 T H -0.7374 Soluble
100 A H 0.0000 Buried
101 L H 0.1358 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 0.3018 Aggregation-prone
108 D H 0.2964 Aggregation-prone
109 H H 0.1349 Aggregation-prone
110 Y H 1.1237 Aggregation-prone
112 S H 0.0000 Buried
113 G H 0.1316 Aggregation-prone
114 S H 0.0000 Buried
115 S H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.6513 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1560 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H -0.0148 Soluble
124 V H 0.0000 Buried
125 T H -0.4800 Soluble
126 V H 0.0000 Buried
127 S H -0.9963 Soluble
128 S H -0.6877 Soluble
129 A H -0.4461 Soluble
130 S H -0.5805 Soluble
131 T H -0.5692 Soluble
132 K H -1.1648 Soluble
133 G H -1.3689 Soluble
134 P H -0.6171 Soluble
135 S H -0.4276 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0805 Soluble
139 L H 0.0000 Buried
140 A H -1.2288 Soluble
141 P H 0.0000 Buried
142 S H -1.4493 Soluble
143 S H -1.6726 Soluble
144 K H -2.1359 Soluble
145 S H -1.4029 Soluble
146 T H -1.0501 Soluble
147 S H -0.9497 Soluble
148 G H -1.0541 Soluble
149 G H -1.1576 Soluble
150 T H -0.8971 Soluble
151 A H 0.0000 Buried
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 0.0000 Buried
159 D H -0.4150 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 Q H -0.3361 Soluble
164 P H -0.6238 Soluble
165 V H -0.6276 Soluble
166 T H -0.5240 Soluble
167 V H -0.1783 Soluble
168 S H -0.3772 Soluble
169 W H 0.0000 Buried
170 N H -0.8232 Soluble
171 S H -0.6954 Soluble
172 G H -0.5796 Soluble
173 A H -0.2727 Soluble
174 L H -0.0671 Soluble
175 T H -0.2353 Soluble
176 S H -0.2647 Soluble
177 G H -0.3766 Soluble
178 V H 0.0694 Aggregation-prone
179 H H -0.1721 Soluble
180 T H 0.0169 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1950 Soluble
183 A H 0.3863 Aggregation-prone
184 V H 0.7530 Aggregation-prone
185 L H 1.5290 Aggregation-prone
186 Q H 0.5057 Aggregation-prone
187 S H 0.0303 Aggregation-prone
188 S H -0.1474 Soluble
189 G H 0.1360 Aggregation-prone
190 L H 0.2332 Aggregation-prone
191 Y H 0.5612 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 -0.1743 Soluble
199 V H 0.0000 Buried
200 P H -0.6003 Soluble
201 S H -0.8685 Soluble
202 S H -0.6072 Soluble
203 S H -0.6324 Soluble
204 L H -0.8183 Soluble
205 G H -0.9668 Soluble
206 T H -0.7646 Soluble
207 Q H -1.3660 Soluble
208 T H -1.1745 Soluble
209 Y H 0.0000 Buried
210 I H -1.2461 Soluble
211 C H 0.0000 Buried
212 N H 0.0000 Buried
213 V H 0.0000 Buried
214 N H -1.8455 Soluble
215 H H 0.0000 Buried
216 K H -2.7423 Soluble
217 P H -1.5281 Soluble
218 S H -1.7854 Soluble
219 N H -2.5246 Soluble
220 T H -2.0975 Soluble
221 K H -2.6953 Soluble
222 V H -1.7149 Soluble
223 D H -2.5137 Soluble
224 K H -2.2076 Soluble
225 K H -2.5616 Soluble
226 V H 0.0000 Buried
227 E H -2.8283 Soluble
228 P H -1.9081 Soluble
229 K H -2.4299 Soluble
1 Y L 1.8960 Aggregation-prone
2 V L 0.0000 Buried
3 V L 1.6200 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.3357 Soluble
6 Q L 0.0000 Buried
7 S L -0.1029 Soluble
8 P L 0.2769 Aggregation-prone
9 L L 0.8943 Aggregation-prone
10 S L 0.0395 Aggregation-prone
11 L L -0.2357 Soluble
12 P L -0.8192 Soluble
13 V L 0.0000 Buried
14 T L -1.7044 Soluble
15 P L -1.9476 Soluble
16 G L -2.0043 Soluble
17 E L -2.6223 Soluble
18 P L -2.1998 Soluble
19 A L 0.0000 Buried
20 S L -0.7091 Soluble
21 I L 0.0000 Buried
22 S L -0.8137 Soluble
23 C L 0.0000 Buried
24 K L -1.9027 Soluble
25 S L 0.0000 Buried
26 S L -0.2568 Soluble
27 Q L -0.6362 Soluble
28 S L -0.6360 Soluble
29 L L 0.0000 Buried
30 L L 0.2813 Aggregation-prone
31 D L -1.0715 Soluble
32 S L -1.3339 Soluble
34 D L -2.3866 Soluble
35 G L -1.7227 Soluble
36 K L -1.5796 Soluble
37 T L -0.4527 Soluble
38 Y L -0.0267 Soluble
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 -0.9696 Soluble
45 K L -1.5589 Soluble
46 P L -1.2902 Soluble
47 G L -1.4204 Soluble
48 Q L -1.9379 Soluble
49 S L -1.3336 Soluble
50 P L 0.0000 Buried
51 Q L -1.0064 Soluble
52 R L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2232 Soluble
56 L L -0.2010 Soluble
57 V L -0.3168 Soluble
65 S L -0.8006 Soluble
66 K L -1.4303 Soluble
67 L L -0.9720 Soluble
68 D L -0.7822 Soluble
69 S L -0.6231 Soluble
70 G L -0.7356 Soluble
71 V L -0.8898 Soluble
72 P L -1.1202 Soluble
74 D L -1.9980 Soluble
75 R L -2.0915 Soluble
76 F L 0.0000 Buried
77 S L -1.2511 Soluble
78 G L -0.6868 Soluble
79 S L -0.7908 Soluble
80 G L -1.0258 Soluble
83 S L -0.7018 Soluble
84 G L -0.7264 Soluble
85 T L -1.3936 Soluble
86 D L -2.2581 Soluble
87 F L 0.0000 Buried
88 T L -0.9867 Soluble
89 L L 0.0000 Buried
90 K L -1.4874 Soluble
91 I L 0.0000 Buried
92 S L -2.3339 Soluble
93 R L -3.1420 Soluble
94 V L 0.0000 Buried
95 E L -2.6894 Soluble
96 A L -2.3308 Soluble
97 E L -2.5668 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 G L 0.0000 Buried
101 V L -0.3926 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 -0.1569 Soluble
108 T L -0.2449 Soluble
109 H L 0.6353 Aggregation-prone
114 F L 1.8178 Aggregation-prone
115 P L 0.9292 Aggregation-prone
116 R L 0.3763 Aggregation-prone
117 T L 0.4718 Aggregation-prone
118 F L -0.0403 Soluble
119 G L 0.0000 Buried
120 Q L -0.9994 Soluble
121 G L -0.6819 Soluble
122 T L 0.0000 Buried
123 K L -1.0581 Soluble
124 V L 0.0000 Buried
125 E L -1.3064 Soluble
126 I L 0.0000 Buried
127 K L -1.4663 Soluble
128 R L -1.0463 Soluble
129 T L -0.0501 Soluble
130 V L 0.4325 Aggregation-prone
131 A L 0.0229 Aggregation-prone
132 A L -0.0677 Soluble
133 P L 0.0000 Buried
134 S L -0.0775 Soluble
135 V L -0.0393 Soluble
136 F L 0.0000 Buried
137 I L -0.0027 Soluble
138 F L 0.0000 Buried
139 P L -0.5389 Soluble
140 P L 0.0000 Buried
141 S L -1.5816 Soluble
142 D L -2.7119 Soluble
143 E L -2.5245 Soluble
144 Q L 0.0000 Buried
145 L L -1.9384 Soluble
146 K L -2.7080 Soluble
147 S L -1.6910 Soluble
148 G L -1.3394 Soluble
149 T L -1.1955 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 -0.9288 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6108 Soluble
162 R L -2.8172 Soluble
163 E L -3.1503 Soluble
164 A L -2.3069 Soluble
165 K L -2.5396 Soluble
166 V L -1.2236 Soluble
167 Q L -0.9572 Soluble
168 W L 0.0000 Buried
169 K L -0.8502 Soluble
170 V L 0.0000 Buried
171 D L -1.9985 Soluble
172 N L -1.4611 Soluble
173 A L -0.4389 Soluble
174 L L 0.3520 Aggregation-prone
175 Q L -0.4899 Soluble
176 S L -0.7328 Soluble
177 G L -1.1988 Soluble
178 N L -1.4585 Soluble
179 S L -1.2488 Soluble
180 Q L -0.9483 Soluble
181 E L -1.2531 Soluble
182 S L -0.4896 Soluble
183 V L -0.5874 Soluble
184 T L -1.0384 Soluble
185 E L -1.9335 Soluble
186 Q L 0.0000 Buried
187 D L -2.0471 Soluble
188 S L -2.2643 Soluble
189 K L -2.7477 Soluble
190 D L -2.0563 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 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.6366 Soluble
201 L L -0.9796 Soluble
202 S L -1.2105 Soluble
203 K L -2.1359 Soluble
204 A L -2.1927 Soluble
205 D L -3.1476 Soluble
206 Y L 0.0000 Buried
207 E L -3.7308 Soluble
208 K L -3.7917 Soluble
209 H L -3.1759 Soluble
210 K L -2.7165 Soluble
211 V L -1.4195 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0880 Soluble
216 V L 0.0000 Buried
217 T L -1.3139 Soluble
218 H L 0.0000 Buried
219 Q L -1.7276 Soluble
220 G L -0.4032 Soluble
221 L L -0.2626 Soluble
222 S L -0.4524 Soluble
223 S L -0.4646 Soluble
224 P L -0.6284 Soluble
225 V L -0.0972 Soluble
226 T L -0.5788 Soluble
227 K L -0.7322 Soluble
228 S L -0.6455 Soluble
229 F L -0.9061 Soluble
230 N L -2.0506 Soluble
231 R L -2.3418 Soluble
232 G L -2.0418 Soluble
233 E L -2.3276 Soluble
234 C L -1.6446 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 -0.7391 4.0372 CSV PDB
4.5 -0.7823 4.0407 CSV PDB
5.0 -0.8313 4.0504 CSV PDB
5.5 -0.8757 4.0725 CSV PDB
6.0 -0.9038 4.1082 CSV PDB
6.5 -0.9073 4.145 CSV PDB
7.0 -0.8874 4.1693 CSV PDB
7.5 -0.8526 4.1803 CSV PDB
8.0 -0.8095 4.1843 CSV PDB
8.5 -0.7595 4.1853 CSV PDB
9.0 -0.7026 4.185 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH