Vanucizumab / 4iml

A4DAB288_4iml_A_B | Source PDB: 4iml | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7027
Max Score
1.6892
Min Score
-4.0277
Total Score
-312.71
Score CDR
-0.3703
Score non-CDR
-0.7525

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARSPNPYYYDSSGYYYPGAFDIWGQGTMVTVSSASVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGGLTQPPSVSVAPGQTARITCGGNNIGSKSVHWYQQKPGQAPVLVVYDDSDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQVWDSSSDHYVFGTGTKVTVLSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC input.pdb
Selected Chain(s) A (Heavy), B (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 -4.0277
Maximum Score 1.6892
Average Score -0.7027
Total Score -312.713

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

Index Residue Chain A4D Score Classification
1 Q A -1.1119 Soluble
2 V A -0.2039 Soluble
3 Q A -0.7628 Soluble
4 L A 0.0000 Buried
5 V A -0.0482 Soluble
6 Q A -0.3110 Soluble
7 S A -0.6276 Soluble
8 G A -0.2880 Soluble
9 A A 0.1408 Aggregation-prone
11 E A 0.1139 Aggregation-prone
12 V A 0.9885 Aggregation-prone
13 K A -0.8938 Soluble
14 K A -2.3460 Soluble
15 P A -2.6396 Soluble
16 G A -2.2551 Soluble
17 A A -1.7523 Soluble
18 S A -1.8439 Soluble
19 V A 0.0000 Buried
20 K A -1.8018 Soluble
21 V A 0.0000 Buried
22 S A -0.6374 Soluble
23 C A 0.0000 Buried
24 K A -0.5753 Soluble
25 A A -0.1761 Soluble
26 S A -0.4249 Soluble
27 G A -0.6148 Soluble
28 Y A -0.2593 Soluble
29 T A -0.0761 Soluble
30 F A 0.0000 Buried
35 T A -0.5406 Soluble
36 G A 0.0000 Buried
37 Y A 0.0000 Buried
38 Y A -0.0902 Soluble
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.6080 Soluble
45 A A -0.9854 Soluble
46 P A -1.0591 Soluble
47 G A -1.2411 Soluble
48 Q A -1.6804 Soluble
49 G A -1.0767 Soluble
50 L A 0.0000 Buried
51 E A -0.5703 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A -0.0699 Soluble
56 I A 0.0000 Buried
57 N A -0.8263 Soluble
58 P A 0.0000 Buried
59 N A -1.6458 Soluble
62 S A -1.0685 Soluble
63 G A -0.9959 Soluble
64 G A -0.7800 Soluble
65 T A -0.4340 Soluble
66 N A -1.0156 Soluble
67 Y A -1.2042 Soluble
68 A A -1.7710 Soluble
69 Q A -2.6224 Soluble
70 K A -2.7435 Soluble
71 F A 0.0000 Buried
72 Q A -2.5120 Soluble
74 G A -1.8995 Soluble
75 R A -1.7954 Soluble
76 V A 0.0000 Buried
77 T A -0.8728 Soluble
78 M A 0.0000 Buried
79 T A -0.6570 Soluble
80 R A -1.1125 Soluble
81 D A -1.0870 Soluble
82 T A -0.5666 Soluble
83 S A 0.0616 Aggregation-prone
84 I A 0.7300 Aggregation-prone
85 S A -0.0760 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.7895 Soluble
89 M A 0.0000 Buried
90 E A -1.5019 Soluble
91 L A 0.0000 Buried
92 S A -1.9317 Soluble
93 R A -2.8733 Soluble
94 L A 0.0000 Buried
95 R A -3.3907 Soluble
96 S A -2.3521 Soluble
97 D A -2.6177 Soluble
98 D A 0.0000 Buried
99 T A -0.8428 Soluble
100 A A 0.0000 Buried
101 V A 0.2239 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.0000 Buried
107 S A 0.0000 Buried
108 P A 0.0000 Buried
109 N A 0.0000 Buried
110 P A 1.0229 Aggregation-prone
111 Y A 1.6892 Aggregation-prone
111A Y A 1.4748 Aggregation-prone
111B Y A 1.5565 Aggregation-prone
111C D A 0.2122 Aggregation-prone
111D S A -0.2390 Soluble
112E S A -0.1663 Soluble
112D G A -0.0150 Soluble
112C Y A 0.6101 Aggregation-prone
112B Y A 0.9584 Aggregation-prone
112A Y A 0.0000 Buried
112 P A 0.5497 Aggregation-prone
113 G A 0.0000 Buried
114 A A 0.0000 Buried
115 F A 0.0000 Buried
116 D A 0.3206 Aggregation-prone
117 I A 0.3804 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.3362 Soluble
121 G A -0.6785 Soluble
122 T A 0.0000 Buried
123 M A 0.3781 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2699 Soluble
126 V A 0.0000 Buried
127 S A -1.0570 Soluble
128 S A -0.9932 Soluble
129 A A -0.1086 Soluble
130 S A 0.6197 Aggregation-prone
131 V A 1.3709 Aggregation-prone
132 A A 0.5463 Aggregation-prone
133 A A 0.0882 Aggregation-prone
134 P A -0.2024 Soluble
135 S A -0.2529 Soluble
136 V A -0.0665 Soluble
137 F A 0.0000 Buried
138 I A 0.0618 Aggregation-prone
139 F A 0.0000 Buried
140 P A -0.6505 Soluble
141 P A -0.5781 Soluble
142 S A -1.3281 Soluble
143 D A -2.6032 Soluble
144 E A -2.1818 Soluble
145 Q A 0.0000 Buried
146 L A -1.8258 Soluble
147 K A -2.5610 Soluble
148 S A -1.5549 Soluble
149 G A -1.2422 Soluble
150 T A -0.8277 Soluble
151 A A 0.0000 Buried
152 S A 0.0000 Buried
153 V A 0.0000 Buried
154 V A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 L A 0.0000 Buried
158 N A 0.0000 Buried
159 N A -0.8013 Soluble
160 F A 0.0000 Buried
161 Y A -0.2958 Soluble
162 P A 0.0000 Buried
163 R A -1.2622 Soluble
164 E A -2.5540 Soluble
165 A A -1.9825 Soluble
166 K A -2.0912 Soluble
167 V A -1.0183 Soluble
168 Q A -0.5952 Soluble
169 W A 0.0000 Buried
170 K A -0.5686 Soluble
171 V A 0.0000 Buried
172 D A -2.1782 Soluble
173 N A -1.6521 Soluble
174 A A -0.3207 Soluble
175 L A 0.7765 Aggregation-prone
176 Q A -0.0943 Soluble
177 S A -0.4718 Soluble
178 G A -0.8908 Soluble
179 N A -0.9675 Soluble
180 S A -0.9326 Soluble
181 Q A -0.8488 Soluble
182 E A -0.6318 Soluble
183 S A 0.0407 Aggregation-prone
184 V A 0.6106 Aggregation-prone
185 T A -0.3731 Soluble
186 E A -1.6325 Soluble
187 Q A -2.3684 Soluble
188 D A -3.2031 Soluble
189 S A -2.3362 Soluble
190 K A -2.7931 Soluble
191 D A -2.4224 Soluble
192 S A -2.0885 Soluble
193 T A 0.0000 Buried
194 Y A -0.9767 Soluble
195 S A 0.0000 Buried
196 L A 0.0000 Buried
197 S A 0.0000 Buried
198 S A 0.0000 Buried
199 T A -0.3924 Soluble
200 L A 0.0000 Buried
201 T A -0.2030 Soluble
202 L A -0.6806 Soluble
203 S A -1.1964 Soluble
204 K A -2.1739 Soluble
205 A A -2.2995 Soluble
206 D A -3.2965 Soluble
207 Y A -2.7365 Soluble
208 E A -4.0277 Soluble
209 K A -3.9308 Soluble
210 H A -3.3158 Soluble
211 K A -3.8651 Soluble
212 V A -2.3506 Soluble
213 Y A 0.0000 Buried
214 A A 0.0000 Buried
215 C A 0.0000 Buried
216 E A -0.9706 Soluble
217 V A 0.0000 Buried
218 T A -1.2017 Soluble
219 H A 0.0000 Buried
220 Q A -1.1146 Soluble
221 G A -0.0808 Soluble
222 L A -0.0596 Soluble
223 S A -0.4221 Soluble
224 S A -0.3847 Soluble
225 P A -0.2705 Soluble
226 V A -0.1355 Soluble
227 T A -0.6685 Soluble
228 K A -0.9386 Soluble
229 S A -0.7435 Soluble
230 F A -1.0691 Soluble
231 N A -2.5756 Soluble
232 R A -3.0490 Soluble
233 G A -1.4905 Soluble
3 G B -0.6998 Soluble
4 L B 0.0000 Buried
5 T B -0.3004 Soluble
6 Q B 0.0000 Buried
7 P B -0.3699 Soluble
8 P B -0.6301 Soluble
9 S B -0.6349 Soluble
11 V B -0.4443 Soluble
12 S B -0.3980 Soluble
13 V B -0.5783 Soluble
14 A B -0.8332 Soluble
15 P B -1.7410 Soluble
16 G B -2.2456 Soluble
17 Q B -2.3508 Soluble
18 T B -1.9546 Soluble
19 A B 0.0000 Buried
20 R B -1.9363 Soluble
21 I B 0.0000 Buried
22 T B -0.5863 Soluble
23 C B 0.0000 Buried
24 G B -1.1654 Soluble
25 G B -1.7604 Soluble
26 N B -2.6677 Soluble
27 N B -2.8639 Soluble
28 I B 0.0000 Buried
29 G B -1.9387 Soluble
36 S B -1.4674 Soluble
37 K B -1.5640 Soluble
38 S B -0.9334 Soluble
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.5626 Soluble
46 P B -1.4199 Soluble
47 G B -1.4465 Soluble
48 Q B -1.8308 Soluble
49 A B -0.8631 Soluble
50 P B 0.0000 Buried
51 V B 1.0061 Aggregation-prone
52 L B 0.0000 Buried
53 V B 0.0000 Buried
54 V B 0.0000 Buried
55 Y B -1.0484 Soluble
56 D B -2.0600 Soluble
57 D B -2.6349 Soluble
65 S B -2.2761 Soluble
66 D B -2.4059 Soluble
67 R B -1.6293 Soluble
68 P B -0.3355 Soluble
69 S B -0.4522 Soluble
70 G B -0.6878 Soluble
71 I B -0.5570 Soluble
72 P B -1.1264 Soluble
74 E B -2.2407 Soluble
75 R B -1.8333 Soluble
76 F B 0.0000 Buried
77 S B -1.6646 Soluble
78 G B 0.0000 Buried
79 S B -1.1931 Soluble
80 N B -1.7137 Soluble
83 S B -1.4670 Soluble
84 G B -2.1491 Soluble
85 N B -2.7625 Soluble
86 T B -1.5891 Soluble
87 A B 0.0000 Buried
88 T B -0.9556 Soluble
89 L B 0.0000 Buried
90 T B -1.2415 Soluble
91 I B 0.0000 Buried
92 S B -2.1747 Soluble
93 R B -2.9769 Soluble
94 V B 0.0000 Buried
95 E B -2.7818 Soluble
96 A B -1.2212 Soluble
97 G B -1.2720 Soluble
98 D B 0.0000 Buried
99 E B -1.4528 Soluble
100 A B 0.0000 Buried
101 D B -1.2233 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 V B 0.0000 Buried
107 W B -0.4290 Soluble
108 D B -1.0537 Soluble
109 S B -0.8973 Soluble
110 S B -0.8124 Soluble
113 S B -0.9476 Soluble
114 D B -1.2348 Soluble
115 H B -1.3864 Soluble
116 Y B 0.0000 Buried
117 V B -0.0024 Soluble
118 F B 0.1644 Aggregation-prone
119 G B 0.0000 Buried
120 T B -0.4332 Soluble
121 G B -0.7109 Soluble
122 T B 0.0000 Buried
123 K B -1.3419 Soluble
124 V B 0.0000 Buried
125 T B -0.5551 Soluble
126 V B -0.4922 Soluble
127 L B -0.0377 Soluble
128 S B -0.0854 Soluble
129 S B -0.2245 Soluble
130 A B -0.3384 Soluble
131 S B -0.5190 Soluble
132 T B -0.8789 Soluble
133 K B -1.2326 Soluble
134 G B -1.3828 Soluble
135 P B -0.6284 Soluble
136 S B -0.3068 Soluble
137 V B 0.0000 Buried
138 F B -0.5224 Soluble
139 P B -0.9893 Soluble
140 L B 0.0000 Buried
141 A B -1.1277 Soluble
142 P B 0.0000 Buried
143 S B -0.9678 Soluble
144 S B -0.4685 Soluble
145 K B 0.0000 Buried
146 S B -0.5167 Soluble
147 T B -0.4758 Soluble
148 S B -0.5784 Soluble
149 G B -0.6799 Soluble
150 G B -0.7505 Soluble
151 T B -0.5239 Soluble
152 A B 0.0000 Buried
153 A B 0.0000 Buried
154 L B 0.0000 Buried
155 G B 0.0000 Buried
156 C B 0.0000 Buried
157 L B 0.0000 Buried
158 V B 0.0000 Buried
159 K B 0.0000 Buried
160 D B -0.3642 Soluble
161 Y B 0.0000 Buried
162 F B 0.0000 Buried
163 P B -0.7717 Soluble
164 E B -0.9488 Soluble
165 P B -1.0066 Soluble
166 V B -0.8305 Soluble
167 T B -0.7083 Soluble
168 V B -0.4362 Soluble
169 S B -0.4488 Soluble
170 W B 0.0000 Buried
171 N B -0.7704 Soluble
172 S B -0.6627 Soluble
173 G B -0.4903 Soluble
174 A B -0.1845 Soluble
175 L B 0.0785 Aggregation-prone
176 T B -0.0302 Soluble
177 S B -0.0506 Soluble
178 G B 0.0000 Buried
179 V B 0.3375 Aggregation-prone
180 H B 0.0000 Buried
181 T B 0.1396 Aggregation-prone
182 F B 0.0000 Buried
183 P B 0.0993 Aggregation-prone
184 A B 0.2756 Aggregation-prone
185 V B 0.7707 Aggregation-prone
186 L B 1.0997 Aggregation-prone
187 Q B 0.3242 Aggregation-prone
188 S B -0.0900 Soluble
189 S B -0.1673 Soluble
190 G B 0.0476 Aggregation-prone
191 L B 0.0441 Aggregation-prone
192 Y B 0.3635 Aggregation-prone
193 S B 0.0000 Buried
194 L B 0.0000 Buried
195 S B 0.0000 Buried
196 S B 0.0000 Buried
197 V B 0.0000 Buried
198 V B 0.0000 Buried
199 T B -0.0247 Soluble
200 V B 0.0000 Buried
201 P B -0.4432 Soluble
202 S B -0.6273 Soluble
203 S B -0.5828 Soluble
204 S B -0.6375 Soluble
205 L B -0.6788 Soluble
206 G B -0.8864 Soluble
207 T B -0.8372 Soluble
208 Q B -1.2020 Soluble
209 T B -1.2070 Soluble
210 Y B 0.0000 Buried
211 I B -1.5512 Soluble
212 C B 0.0000 Buried
213 N B -1.5616 Soluble
214 V B 0.0000 Buried
215 N B -2.0642 Soluble
216 H B 0.0000 Buried
217 K B -2.8251 Soluble
218 P B -1.7202 Soluble
219 S B -1.9327 Soluble
220 N B -2.5819 Soluble
221 T B -2.1018 Soluble
222 K B -2.6908 Soluble
223 V B -1.5068 Soluble
224 D B -2.5562 Soluble
225 K B -2.0173 Soluble
226 K B -2.6311 Soluble
227 V B 0.0000 Buried
228 E B -2.7705 Soluble
229 P B -2.1368 Soluble
230 K B -2.2187 Soluble
231 S B -0.8278 Soluble
232 C B -0.0700 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.6775 2.2095 CSV PDB
4.5 -0.7247 2.1925 CSV PDB
5.0 -0.7779 2.1752 CSV PDB
5.5 -0.8272 2.158 CSV PDB
6.0 -0.8625 2.1408 CSV PDB
6.5 -0.8771 2.1238 CSV PDB
7.0 -0.8719 2.1076 CSV PDB
7.5 -0.8541 2.0935 CSV PDB
8.0 -0.829 2.0829 CSV PDB
8.5 -0.7972 2.0756 CSV PDB
9.0 -0.7579 2.067 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH