Vanucizumab / 1bj1

A4DAB288_1bj1_H_L | Source PDB: 1bj1 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6886
Max Score
1.4312
Min Score
-3.7664
Total Score
-296.79
Score CDR
-0.1696
Score non-CDR
-0.7567

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7664
Maximum Score 1.4312
Average Score -0.6886
Total Score -296.7884

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

Index Residue Chain A4D Score Classification
1 E H -1.7972 Soluble
2 V H -0.6004 Soluble
3 Q H -0.7353 Soluble
4 L H 0.0000 Buried
5 V H 0.8083 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4933 Soluble
8 G H -0.8719 Soluble
9 G H -0.7060 Soluble
11 G H -0.3996 Soluble
12 L H -0.1555 Soluble
13 V H 0.0000 Buried
14 Q H -1.7189 Soluble
15 P H -1.7466 Soluble
16 G H -1.6515 Soluble
17 G H -1.3730 Soluble
18 S H -1.5079 Soluble
19 L H -1.3602 Soluble
20 R H -2.2790 Soluble
21 L H 0.0000 Buried
22 S H -0.4439 Soluble
23 C H 0.0000 Buried
24 A H -0.0946 Soluble
25 A H 0.0000 Buried
26 S H -0.6771 Soluble
27 G H -0.9354 Soluble
28 Y H -0.4699 Soluble
29 T H -0.3780 Soluble
30 F H 0.0000 Buried
35 T H -0.1915 Soluble
36 N H -1.0681 Soluble
37 Y H -0.4652 Soluble
38 G H -0.3044 Soluble
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.6979 Soluble
44 Q H -0.9929 Soluble
45 A H -1.2478 Soluble
46 P H -0.9762 Soluble
47 G H -1.4645 Soluble
48 K H -2.4406 Soluble
49 G H -1.7583 Soluble
50 L H 0.0000 Buried
51 E H -1.5034 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.1341 Soluble
56 I H 0.0000 Buried
57 N H -0.6762 Soluble
58 T H 0.0000 Buried
59 Y H 0.6230 Aggregation-prone
62 T H -0.1815 Soluble
63 G H -0.8275 Soluble
64 E H -1.8154 Soluble
65 P H -1.2360 Soluble
66 T H -0.4324 Soluble
67 Y H -0.6648 Soluble
68 A H 0.0000 Buried
69 A H -1.6160 Soluble
70 D H -2.6021 Soluble
71 F H 0.0000 Buried
72 K H -3.1080 Soluble
74 R H -3.2977 Soluble
75 R H -2.4190 Soluble
76 F H 0.0000 Buried
77 T H -1.2454 Soluble
78 F H 0.0000 Buried
79 S H -0.4040 Soluble
80 L H -0.3310 Soluble
81 D H -1.0337 Soluble
82 T H -0.7920 Soluble
83 S H -1.2064 Soluble
84 K H -1.9809 Soluble
85 S H -1.0671 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.5845 Soluble
91 M H 0.0000 Buried
92 N H -2.3448 Soluble
93 S H -1.7605 Soluble
94 L H 0.0000 Buried
95 R H -2.5545 Soluble
96 A H -1.8170 Soluble
97 E H -2.2480 Soluble
98 D H 0.0000 Buried
99 T H -0.7711 Soluble
100 A H 0.0000 Buried
101 V H 0.1966 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 K H 0.0000 Buried
107 Y H 0.0000 Buried
108 P H 0.0000 Buried
109 H H -0.3117 Soluble
110 Y H 1.3060 Aggregation-prone
111 Y H 1.4312 Aggregation-prone
111A G H 0.3790 Aggregation-prone
112B S H 0.1364 Aggregation-prone
112A S H 0.3580 Aggregation-prone
112 H H 0.5545 Aggregation-prone
113 W H 0.5984 Aggregation-prone
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.6329 Soluble
117 V H -0.1487 Soluble
118 W H -0.3576 Soluble
119 G H 0.0000 Buried
120 Q H -1.3231 Soluble
121 G H -0.6537 Soluble
122 T H -0.1186 Soluble
123 L H 0.1198 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5492 Soluble
126 V H 0.0000 Buried
127 S H -0.8444 Soluble
128 S H -0.7495 Soluble
129 A H -0.4227 Soluble
130 S H -0.5367 Soluble
131 T H -0.7367 Soluble
132 K H -1.2523 Soluble
133 G H -1.4416 Soluble
134 P H -0.6949 Soluble
135 S H -0.5598 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2628 Soluble
139 L H 0.0000 Buried
140 A H -1.1052 Soluble
141 P H 0.0000 Buried
142 S H -0.5514 Soluble
143 G H -0.6523 Soluble
144 T H -0.5210 Soluble
145 A H -0.2695 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H -0.3890 Soluble
153 D H -0.5561 Soluble
154 Y H 0.0000 Buried
155 F H -0.2923 Soluble
156 P H 0.0000 Buried
157 E H -0.7082 Soluble
158 P H -0.7703 Soluble
159 V H -0.6755 Soluble
160 T H -0.6186 Soluble
161 V H -0.3436 Soluble
162 S H -0.3602 Soluble
163 W H 0.0000 Buried
164 N H -0.7339 Soluble
165 S H -0.6196 Soluble
166 G H -0.4186 Soluble
167 A H -0.1825 Soluble
168 L H 0.0648 Aggregation-prone
169 T H -0.1228 Soluble
170 S H -0.1454 Soluble
171 G H -0.1571 Soluble
172 V H 0.1751 Aggregation-prone
173 H H -0.3066 Soluble
174 T H 0.0187 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2927 Soluble
177 A H 0.2300 Aggregation-prone
178 V H 0.6005 Aggregation-prone
179 L H 1.3337 Aggregation-prone
180 Q H 0.2943 Aggregation-prone
181 S H -0.0518 Soluble
182 S H -0.2216 Soluble
183 G H 0.0763 Aggregation-prone
184 L H 0.1217 Aggregation-prone
185 Y H 0.4235 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1249 Soluble
193 V H 0.0000 Buried
194 P H -0.5798 Soluble
195 S H -0.5700 Soluble
196 S H -0.5905 Soluble
197 S H -0.5346 Soluble
198 L H -0.6755 Soluble
199 G H -0.8557 Soluble
200 T H -0.6086 Soluble
201 Q H -0.9923 Soluble
202 T H -0.9155 Soluble
203 Y H 0.0000 Buried
204 I H -1.1911 Soluble
205 C H 0.0000 Buried
206 N H -1.4849 Soluble
207 V H 0.0000 Buried
208 N H -1.9984 Soluble
209 H H 0.0000 Buried
210 K H -2.8319 Soluble
211 P H -1.6215 Soluble
212 S H -1.8195 Soluble
213 N H -2.6540 Soluble
214 T H -2.0892 Soluble
215 K H -2.7201 Soluble
216 V H -1.6296 Soluble
217 D H -2.5704 Soluble
218 K H -2.1936 Soluble
219 K H -2.4506 Soluble
220 V H 0.0000 Buried
221 E H -2.3481 Soluble
222 P H -1.6696 Soluble
223 K H -2.1520 Soluble
1 D L -1.9100 Soluble
2 I L 0.0000 Buried
3 Q L -2.0081 Soluble
4 M L 0.0000 Buried
5 T L -0.9071 Soluble
6 Q L 0.0000 Buried
7 S L -0.4910 Soluble
8 P L -0.5747 Soluble
9 S L -0.7871 Soluble
10 S L -0.7410 Soluble
11 L L -0.5641 Soluble
12 S L -0.9600 Soluble
13 A L -1.1134 Soluble
14 S L -1.0227 Soluble
15 V L -0.2263 Soluble
16 G L -0.9306 Soluble
17 D L -1.7642 Soluble
18 R L -2.3790 Soluble
19 V L 0.0000 Buried
20 T L -0.6323 Soluble
21 I L 0.0000 Buried
22 T L -0.5716 Soluble
23 C L 0.0000 Buried
24 S L -1.4641 Soluble
25 A L 0.0000 Buried
26 S L -1.9475 Soluble
27 Q L -2.6175 Soluble
28 D L -2.7297 Soluble
29 I L 0.0000 Buried
36 S L -1.1697 Soluble
37 N L -0.5510 Soluble
38 Y L 0.3194 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L -1.3245 Soluble
45 K L -1.8586 Soluble
46 P L -1.5907 Soluble
47 G L -1.8566 Soluble
48 K L -2.5751 Soluble
49 A L -1.5692 Soluble
50 P L 0.0000 Buried
51 K L -1.5856 Soluble
52 V L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.7490 Aggregation-prone
56 F L 1.0567 Aggregation-prone
57 T L 0.0000 Buried
65 S L 0.0347 Aggregation-prone
66 S L 0.3125 Aggregation-prone
67 L L 0.3539 Aggregation-prone
68 H L -0.3451 Soluble
69 S L -0.4119 Soluble
70 G L -0.5848 Soluble
71 V L 0.0000 Buried
72 P L -0.4319 Soluble
74 S L -0.4779 Soluble
75 R L -0.9186 Soluble
76 F L 0.0000 Buried
77 S L -0.3796 Soluble
78 G L -0.1541 Soluble
79 S L -0.6942 Soluble
80 G L -1.1501 Soluble
83 S L -1.2820 Soluble
84 G L -1.8289 Soluble
85 T L -2.0970 Soluble
86 D L -2.4779 Soluble
87 F L 0.0000 Buried
88 T L -0.6765 Soluble
89 L L 0.0000 Buried
90 T L -0.6607 Soluble
91 I L 0.0000 Buried
92 S L -1.5443 Soluble
93 S L -1.3535 Soluble
94 L L 0.0000 Buried
95 Q L -0.9988 Soluble
96 P L -1.5841 Soluble
97 E L -1.7088 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8327 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 S L -0.0415 Soluble
109 T L 0.4161 Aggregation-prone
114 V L 1.2623 Aggregation-prone
115 P L 0.4358 Aggregation-prone
116 W L 0.0000 Buried
117 T L -0.6398 Soluble
118 F L -0.5773 Soluble
119 G L 0.0000 Buried
120 Q L -1.8240 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.3154 Soluble
124 V L 0.0000 Buried
125 E L -1.2475 Soluble
126 I L 0.0000 Buried
127 K L -1.4617 Soluble
128 R L -0.9400 Soluble
129 T L -0.0052 Soluble
130 V L 0.5330 Aggregation-prone
131 A L 0.0643 Aggregation-prone
132 A L -0.0703 Soluble
133 P L 0.0000 Buried
134 S L -0.1240 Soluble
135 V L 0.0000 Buried
136 F L 0.0557 Aggregation-prone
137 I L 0.0532 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4737 Soluble
140 P L 0.0000 Buried
141 S L -1.9141 Soluble
142 D L -3.0859 Soluble
143 E L -3.2694 Soluble
144 Q L 0.0000 Buried
145 L L -2.4304 Soluble
146 K L -2.9600 Soluble
147 S L -1.8650 Soluble
148 G L -1.4029 Soluble
149 T L -1.1351 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 -0.8536 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L 0.0000 Buried
162 R L -3.0805 Soluble
163 E L -3.2735 Soluble
164 A L -2.3691 Soluble
165 K L -2.4328 Soluble
166 V L -1.0029 Soluble
167 Q L -0.5564 Soluble
168 W L 0.0000 Buried
169 K L -0.7200 Soluble
170 V L 0.0000 Buried
171 D L -2.2089 Soluble
172 N L -1.7071 Soluble
173 A L -0.3787 Soluble
174 L L 0.6102 Aggregation-prone
175 Q L -0.4214 Soluble
176 S L -0.7103 Soluble
177 G L -1.3683 Soluble
178 N L -1.7669 Soluble
179 S L -1.5190 Soluble
180 Q L -1.4668 Soluble
181 E L -1.6676 Soluble
182 S L -0.8894 Soluble
183 V L -0.7964 Soluble
184 T L -1.1664 Soluble
185 E L -2.2904 Soluble
186 Q L 0.0000 Buried
187 D L -2.1297 Soluble
188 S L -2.2293 Soluble
189 K L -2.6023 Soluble
190 D L -1.9723 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 -0.7300 Soluble
199 L L 0.0000 Buried
200 T L -0.5688 Soluble
201 L L -0.8928 Soluble
202 S L -1.1954 Soluble
203 K L -2.2628 Soluble
204 A L -2.0141 Soluble
205 D L -2.7365 Soluble
206 Y L 0.0000 Buried
207 E L -3.7201 Soluble
208 K L -3.7664 Soluble
209 H L -3.2544 Soluble
210 K L -3.3594 Soluble
211 V L -1.4747 Soluble
212 Y L 0.0000 Buried
213 A L -0.6467 Soluble
214 C L 0.0000 Buried
215 E L -0.7844 Soluble
216 V L 0.0000 Buried
217 T L -1.1633 Soluble
218 H L 0.0000 Buried
219 Q L -1.7122 Soluble
220 G L -0.3961 Soluble
221 L L -0.2121 Soluble
222 S L -0.4691 Soluble
223 S L -0.3971 Soluble
224 P L -0.4565 Soluble
225 V L 0.1634 Aggregation-prone
226 T L -0.3542 Soluble
227 K L -0.6750 Soluble
228 S L -0.5746 Soluble
229 F L -0.9790 Soluble
230 N L -2.0868 Soluble
231 R L -2.7455 Soluble
232 G L -2.2747 Soluble
233 E L -2.5839 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 -0.7271 1.6741 CSV PDB
4.5 -0.7737 1.6743 CSV PDB
5.0 -0.8272 1.6749 CSV PDB
5.5 -0.8774 1.6767 CSV PDB
6.0 -0.913 1.6808 CSV PDB
6.5 -0.9249 1.6877 CSV PDB
7.0 -0.9133 1.6951 CSV PDB
7.5 -0.8865 1.7001 CSV PDB
8.0 -0.8513 1.7023 CSV PDB
8.5 -0.8097 1.7029 CSV PDB
9.0 -0.7609 1.7024 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH