Vanucizumab / 4imk

A4DAB288_4imk_B_C | Source PDB: 4imk | Chains: B, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.692
Max Score
2.1202
Min Score
-3.7563
Total Score
-306.57
Score CDR
-0.3162
Score non-CDR
-0.7486

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARSPNPYYYDSSGYYYPGAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKGLTQPPSVSVAPGQTARITCGGNNIGSKSVHWYQQKPGQAPVLVVYDDSDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQVWDSSSDHYVFGTGTKVTVLRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), C (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 -3.7563
Maximum Score 2.1202
Average Score -0.692
Total Score -306.5678

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

Index Residue Chain A4D Score Classification
1 Q B -1.1830 Soluble
2 V B -0.3538 Soluble
3 Q B -0.9010 Soluble
4 L B 0.0000 Buried
5 V B 0.1801 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.5905 Soluble
8 G B -0.7533 Soluble
9 A B -0.8400 Soluble
11 E B -1.2807 Soluble
12 V B -0.7171 Soluble
13 K B -1.6328 Soluble
14 K B -2.5997 Soluble
15 P B -2.5244 Soluble
16 G B -2.3130 Soluble
17 A B -1.7035 Soluble
18 S B -1.8978 Soluble
19 V B 0.0000 Buried
20 K B -2.1935 Soluble
21 V B 0.0000 Buried
22 S B -0.6881 Soluble
23 C B 0.0000 Buried
24 K B -0.5782 Soluble
25 A B 0.0000 Buried
26 S B -0.3521 Soluble
27 G B -0.6268 Soluble
28 Y B -0.1328 Soluble
29 T B -0.1042 Soluble
30 F B 0.0000 Buried
35 T B -0.6594 Soluble
36 G B -0.1496 Soluble
37 Y B 0.1327 Aggregation-prone
38 Y B 0.0000 Buried
39 M B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B -0.4636 Soluble
44 Q B -0.7181 Soluble
45 A B -1.0453 Soluble
46 P B -0.8621 Soluble
47 G B -1.2604 Soluble
48 Q B -1.7102 Soluble
49 G B -1.1296 Soluble
50 L B 0.0000 Buried
51 E B -0.6506 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 W B 0.0012 Aggregation-prone
56 I B 0.0000 Buried
57 N B 0.0000 Buried
58 P B 0.0000 Buried
59 N B -1.6021 Soluble
62 S B -1.1114 Soluble
63 G B -1.0533 Soluble
64 G B -0.6923 Soluble
65 T B -0.2759 Soluble
66 N B -0.7567 Soluble
67 Y B -1.1729 Soluble
68 A B 0.0000 Buried
69 Q B -2.7146 Soluble
70 K B -2.7072 Soluble
71 F B 0.0000 Buried
72 Q B -2.3915 Soluble
74 G B -1.8321 Soluble
75 R B -1.7278 Soluble
76 V B 0.0000 Buried
77 T B -0.8912 Soluble
78 M B 0.0000 Buried
79 T B -0.7324 Soluble
80 R B -1.1957 Soluble
81 D B -1.1824 Soluble
82 T B -0.5506 Soluble
83 S B 0.2611 Aggregation-prone
84 I B 1.1866 Aggregation-prone
85 S B 0.0858 Aggregation-prone
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.9685 Soluble
89 M B 0.0000 Buried
90 E B -1.7148 Soluble
91 L B 0.0000 Buried
92 S B -1.9671 Soluble
93 R B -2.8535 Soluble
94 L B 0.0000 Buried
95 R B -3.4285 Soluble
96 S B -2.3695 Soluble
97 D B -2.4818 Soluble
98 D B 0.0000 Buried
99 T B -1.0880 Soluble
100 A B 0.0000 Buried
101 V B 0.1001 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 S B 0.0000 Buried
108 P B 0.0283 Aggregation-prone
109 N B 0.4574 Aggregation-prone
110 P B 1.0595 Aggregation-prone
111 Y B 1.8723 Aggregation-prone
111A Y B 2.1202 Aggregation-prone
111B Y B 1.6693 Aggregation-prone
111C D B 0.5636 Aggregation-prone
111D S B 0.3899 Aggregation-prone
112E S B 0.4500 Aggregation-prone
112D G B 0.1291 Aggregation-prone
112C Y B 1.0735 Aggregation-prone
112B Y B 0.4397 Aggregation-prone
112A Y B 0.7568 Aggregation-prone
112 P B -0.0978 Soluble
113 G B 0.0000 Buried
114 A B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.1665 Soluble
117 I B 0.1912 Aggregation-prone
118 W B -0.0352 Soluble
119 G B 0.0000 Buried
120 Q B -1.2553 Soluble
121 G B -0.6544 Soluble
122 T B 0.0000 Buried
123 M B -0.2402 Soluble
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -1.3615 Soluble
128 S B -0.9835 Soluble
129 A B -0.5657 Soluble
130 S B -0.6723 Soluble
131 T B -0.6446 Soluble
132 K B -1.1287 Soluble
133 G B -1.3657 Soluble
134 P B -0.5800 Soluble
135 S B -0.2038 Soluble
136 V B 0.0000 Buried
137 F B -0.5309 Soluble
138 P B -0.8645 Soluble
139 L B 0.0000 Buried
140 A B -1.2243 Soluble
141 P B 0.0000 Buried
142 S B -1.1490 Soluble
143 S B -0.9143 Soluble
144 K B -1.5347 Soluble
145 S B 0.0000 Buried
146 T B -0.8689 Soluble
147 S B -0.8896 Soluble
148 G B -0.8566 Soluble
149 G B -0.9262 Soluble
150 T B -0.6291 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.3112 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.4325 Soluble
164 P B -0.6965 Soluble
165 V B -0.6910 Soluble
166 T B -0.6223 Soluble
167 V B -0.2466 Soluble
168 S B -0.3834 Soluble
169 W B 0.0000 Buried
170 N B -0.6395 Soluble
171 S B -0.5987 Soluble
172 G B -0.4591 Soluble
173 A B -0.1921 Soluble
174 L B 0.0338 Aggregation-prone
175 T B -0.1505 Soluble
176 S B -0.1752 Soluble
177 G B -0.1890 Soluble
178 V B 0.1782 Aggregation-prone
179 H B -0.1846 Soluble
180 T B 0.0260 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.3238 Soluble
183 A B 0.1982 Aggregation-prone
184 V B 0.4282 Aggregation-prone
185 L B 1.1394 Aggregation-prone
186 Q B 0.2781 Aggregation-prone
187 S B -0.0704 Soluble
188 S B -0.2076 Soluble
189 G B 0.0624 Aggregation-prone
190 L B 0.1922 Aggregation-prone
191 Y B 0.4879 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1385 Soluble
199 V B 0.0000 Buried
200 P B -0.6196 Soluble
201 S B -0.5936 Soluble
202 S B -0.5570 Soluble
203 S B -0.5616 Soluble
204 L B -0.7295 Soluble
205 G B -0.9258 Soluble
206 T B -0.6309 Soluble
207 Q B -1.0553 Soluble
208 T B -0.9697 Soluble
209 Y B 0.0000 Buried
210 I B -1.0310 Soluble
211 C B 0.0000 Buried
212 N B -1.4378 Soluble
213 V B 0.0000 Buried
214 N B -2.1572 Soluble
215 H B 0.0000 Buried
216 K B -2.9336 Soluble
217 P B -1.7525 Soluble
218 S B -1.9112 Soluble
219 N B -2.5861 Soluble
220 T B -2.1481 Soluble
221 K B -2.8367 Soluble
222 V B -1.7907 Soluble
223 D B -2.4899 Soluble
224 K B -1.9872 Soluble
225 K B -2.1133 Soluble
226 V B 0.0000 Buried
227 E B -2.6481 Soluble
228 P B -1.8494 Soluble
229 K B -2.0657 Soluble
3 G C -0.6557 Soluble
4 L C 0.0000 Buried
5 T C -0.3023 Soluble
6 Q C 0.0000 Buried
7 P C -0.5242 Soluble
8 P C -0.5538 Soluble
9 S C -0.5622 Soluble
11 V C -0.6093 Soluble
12 S C -0.4133 Soluble
13 V C 0.0000 Buried
14 A C -0.8415 Soluble
15 P C -1.6593 Soluble
16 G C -2.3114 Soluble
17 Q C -2.2776 Soluble
18 T C -2.0127 Soluble
19 A C 0.0000 Buried
20 R C -1.8797 Soluble
21 I C 0.0000 Buried
22 T C -0.7178 Soluble
23 C C 0.0000 Buried
24 G C -1.1322 Soluble
25 G C -1.7947 Soluble
26 N C -2.6686 Soluble
27 N C -2.8637 Soluble
28 I C 0.0000 Buried
29 G C -2.0112 Soluble
36 S C -1.5497 Soluble
37 K C -1.7426 Soluble
38 S C -1.1285 Soluble
39 V C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -0.7416 Soluble
45 K C -1.4319 Soluble
46 P C -1.4824 Soluble
47 G C -1.5162 Soluble
48 Q C -1.8309 Soluble
49 A C -0.8516 Soluble
50 P C 0.0000 Buried
51 V C 0.8209 Aggregation-prone
52 L C 0.0000 Buried
53 V C 0.0000 Buried
54 V C 0.0000 Buried
55 Y C -1.2247 Soluble
56 D C -2.0282 Soluble
57 D C -1.7796 Soluble
65 S C -1.6569 Soluble
66 D C -2.1770 Soluble
67 R C -1.8287 Soluble
68 P C -0.7130 Soluble
69 S C -0.6628 Soluble
70 G C -0.7458 Soluble
71 I C -0.5231 Soluble
72 P C -1.1791 Soluble
74 E C -2.0852 Soluble
75 R C -1.5295 Soluble
76 F C 0.0000 Buried
77 S C -1.2536 Soluble
78 G C -1.1454 Soluble
79 S C -0.9500 Soluble
80 N C -1.4134 Soluble
83 S C -1.4274 Soluble
84 G C -2.1135 Soluble
85 N C -2.6427 Soluble
86 T C -1.4646 Soluble
87 A C 0.0000 Buried
88 T C -0.7569 Soluble
89 L C 0.0000 Buried
90 T C -1.0784 Soluble
91 I C 0.0000 Buried
92 S C -2.1587 Soluble
93 R C -2.9645 Soluble
94 V C 0.0000 Buried
95 E C -2.5764 Soluble
96 A C -1.7302 Soluble
97 G C -1.2326 Soluble
98 D C 0.0000 Buried
99 E C 0.0000 Buried
100 A C 0.0000 Buried
101 D C -0.8658 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 V C 0.0000 Buried
107 W C 0.0000 Buried
108 D C -1.2662 Soluble
109 S C -1.1141 Soluble
110 S C -0.9869 Soluble
113 S C -1.3498 Soluble
114 D C -2.0465 Soluble
115 H C -1.2805 Soluble
116 Y C 0.0000 Buried
117 V C -0.1980 Soluble
118 F C 0.0000 Buried
119 G C 0.0000 Buried
120 T C -0.4781 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -0.9277 Soluble
124 V C 0.0000 Buried
125 T C -0.2407 Soluble
126 V C 0.0000 Buried
127 L C 0.3370 Aggregation-prone
128 R C -0.1053 Soluble
129 T C 0.4903 Aggregation-prone
130 V C 0.8222 Aggregation-prone
131 A C 0.0321 Aggregation-prone
132 A C -0.0463 Soluble
133 P C 0.0000 Buried
134 S C -0.2010 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.8822 Soluble
140 P C 0.0000 Buried
141 S C -1.6547 Soluble
142 D C -2.7775 Soluble
143 E C -2.6414 Soluble
144 Q C 0.0000 Buried
145 L C -2.2283 Soluble
146 K C -2.7505 Soluble
147 S C -1.6842 Soluble
148 G C -1.3211 Soluble
149 T C -0.9898 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.7994 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3810 Soluble
162 R C -3.0269 Soluble
163 E C -3.2814 Soluble
164 A C -2.3673 Soluble
165 K C -2.3927 Soluble
166 V C -1.0167 Soluble
167 Q C -0.3993 Soluble
168 W C 0.0000 Buried
169 K C -0.4093 Soluble
170 V C 0.0000 Buried
171 D C -1.6590 Soluble
172 N C -1.4636 Soluble
173 A C -0.2323 Soluble
174 L C 0.7441 Aggregation-prone
175 Q C -0.0263 Soluble
176 S C -0.4160 Soluble
177 G C -0.8903 Soluble
178 N C -0.6485 Soluble
179 S C -1.1119 Soluble
180 Q C -1.4080 Soluble
181 E C -1.9594 Soluble
182 S C -0.9560 Soluble
183 V C -0.7003 Soluble
184 T C -0.7382 Soluble
185 E C -1.3553 Soluble
186 Q C 0.0000 Buried
187 D C -1.5790 Soluble
188 S C -1.8131 Soluble
189 K C -2.4027 Soluble
190 D C -1.8052 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6753 Soluble
199 L C 0.0000 Buried
200 T C -0.4172 Soluble
201 L C -0.7084 Soluble
202 S C -1.1272 Soluble
203 K C -2.1484 Soluble
204 A C -2.0032 Soluble
205 D C -2.7167 Soluble
206 Y C 0.0000 Buried
207 E C -3.7563 Soluble
208 K C -3.6506 Soluble
209 H C -3.0071 Soluble
210 K C -3.0381 Soluble
211 V C -1.2703 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.6290 Soluble
216 V C 0.0000 Buried
217 T C -1.1623 Soluble
218 H C 0.0000 Buried
219 Q C -1.6957 Soluble
220 G C -0.3261 Soluble
221 L C -0.2141 Soluble
222 S C -0.4636 Soluble
223 S C -0.4254 Soluble
224 P C -0.5611 Soluble
225 V C -0.0240 Soluble
226 T C -0.3859 Soluble
227 K C -0.8206 Soluble
228 S C -0.7001 Soluble
229 F C 0.0000 Buried
230 N C -1.6802 Soluble
231 R C -2.5317 Soluble
232 G C -1.9817 Soluble
233 E C -2.0432 Soluble
234 C C -0.9252 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
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 -0.6653 2.1636 CSV PDB
4.5 -0.7085 2.1334 CSV PDB
5.0 -0.7584 2.1013 CSV PDB
5.5 -0.8055 2.0685 CSV PDB
6.0 -0.8397 2.0354 CSV PDB
6.5 -0.8535 2.0024 CSV PDB
7.0 -0.8471 1.9697 CSV PDB
7.5 -0.8271 1.9377 CSV PDB
8.0 -0.7989 1.908 CSV PDB
8.5 -0.7637 1.8824 CSV PDB
9.0 -0.7217 1.8594 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH