Vanucizumab / 4imk

A4DAB288_4imk_A_D | Source PDB: 4imk | Chains: A, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6904
Max Score
1.26
Min Score
-3.9493
Total Score
-303.08
Score CDR
-0.3543
Score non-CDR
-0.7415

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARSPNPYYYDSSGYYYPGAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPGLTQPPSVSVAPGQTARITCGGNNIGSKSVHWYQQKPGQAPVLVVYDDSDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQVWDSSSDHYVFGTGTKVTVLRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) A (Heavy), D (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 -3.9493
Maximum Score 1.26
Average Score -0.6904
Total Score -303.0809

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

Index Residue Chain A4D Score Classification
1 Q A -1.5243 Soluble
2 V A -1.0663 Soluble
3 Q A -1.3748 Soluble
4 L A 0.0000 Buried
5 V A 0.4629 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.5305 Soluble
8 G A -0.6689 Soluble
9 A A -0.6975 Soluble
11 E A -1.0675 Soluble
12 V A -0.6936 Soluble
13 K A -1.7425 Soluble
14 K A -2.7203 Soluble
15 P A -2.6609 Soluble
16 G A -2.4178 Soluble
17 A A -1.8160 Soluble
18 S A -1.8325 Soluble
19 V A 0.0000 Buried
20 K A -1.8520 Soluble
21 V A 0.0000 Buried
22 S A -0.6400 Soluble
23 C A 0.0000 Buried
24 K A -0.8566 Soluble
25 A A 0.0000 Buried
26 S A -0.6459 Soluble
27 G A -1.0098 Soluble
28 Y A -0.3166 Soluble
29 T A 0.0102 Aggregation-prone
30 F A 0.0000 Buried
35 T A 0.0266 Aggregation-prone
36 G A 0.0000 Buried
37 Y A 0.4209 Aggregation-prone
38 Y A 0.0000 Buried
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 -0.6443 Soluble
45 A A -1.0117 Soluble
46 P A -0.8411 Soluble
47 G A -1.2268 Soluble
48 Q A -1.6872 Soluble
49 G A -1.1026 Soluble
50 L A 0.0000 Buried
51 E A -0.6925 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A 0.0000 Buried
56 I A 0.0000 Buried
57 N A 0.0000 Buried
58 P A 0.0000 Buried
59 N A -0.5459 Soluble
62 S A -0.4420 Soluble
63 G A -0.7411 Soluble
64 G A -0.6024 Soluble
65 T A -0.3679 Soluble
66 N A -0.8409 Soluble
67 Y A -1.1441 Soluble
68 A A 0.0000 Buried
69 Q A -2.6234 Soluble
70 K A -2.6791 Soluble
71 F A 0.0000 Buried
72 Q A -2.3730 Soluble
74 G A -1.7461 Soluble
75 R A -1.7154 Soluble
76 V A 0.0000 Buried
77 T A -0.8665 Soluble
78 M A 0.0000 Buried
79 T A -0.5840 Soluble
80 R A -0.8943 Soluble
81 D A -0.7533 Soluble
82 T A -0.1961 Soluble
83 S A 0.3557 Aggregation-prone
84 I A 1.1293 Aggregation-prone
85 S A 0.0536 Aggregation-prone
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.8321 Soluble
89 M A 0.0000 Buried
90 E A -1.5308 Soluble
91 L A 0.0000 Buried
92 S A -1.9141 Soluble
93 R A -2.8876 Soluble
94 L A 0.0000 Buried
95 R A -3.4899 Soluble
96 S A -2.4130 Soluble
97 D A -2.4924 Soluble
98 D A 0.0000 Buried
99 T A -1.0819 Soluble
100 A A 0.0000 Buried
101 V A 0.1209 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 0.2025 Aggregation-prone
109 N A 0.0000 Buried
110 P A 0.4403 Aggregation-prone
111 Y A 1.1353 Aggregation-prone
111A Y A 1.1105 Aggregation-prone
111B Y A 0.6155 Aggregation-prone
111C D A -0.9773 Soluble
111D S A -0.2202 Soluble
112E S A -0.0418 Soluble
112D G A 0.0776 Aggregation-prone
112C Y A 1.2600 Aggregation-prone
112B Y A 0.7207 Aggregation-prone
112A Y A 0.8626 Aggregation-prone
112 P A -0.0300 Soluble
113 G A 0.0000 Buried
114 A A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.1577 Soluble
117 I A 0.0080 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.1736 Soluble
121 G A -0.5596 Soluble
122 T A 0.0000 Buried
123 M A -0.1483 Soluble
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.4962 Soluble
128 S A -1.2144 Soluble
129 A A -0.6231 Soluble
130 S A -0.7032 Soluble
131 T A -0.7426 Soluble
132 K A -1.1667 Soluble
133 G A -1.3743 Soluble
134 P A 0.0000 Buried
135 S A -0.3164 Soluble
136 V A 0.0000 Buried
137 F A -0.4687 Soluble
138 P A -0.9212 Soluble
139 L A 0.0000 Buried
140 A A -0.8604 Soluble
141 P A 0.0000 Buried
142 S A -0.7253 Soluble
143 S A -0.7177 Soluble
144 K A -1.0368 Soluble
145 S A 0.0000 Buried
146 T A -0.6799 Soluble
147 S A -0.7387 Soluble
148 G A -0.8136 Soluble
149 G A -0.8650 Soluble
150 T A -0.6000 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.5976 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.3919 Soluble
164 P A -0.5269 Soluble
165 V A -0.5354 Soluble
166 T A -0.5095 Soluble
167 V A -0.1696 Soluble
168 S A -0.3501 Soluble
169 W A 0.0000 Buried
170 N A -0.6922 Soluble
171 S A -0.6224 Soluble
172 G A -0.3997 Soluble
173 A A -0.1537 Soluble
174 L A 0.0869 Aggregation-prone
175 T A -0.1211 Soluble
176 S A -0.1748 Soluble
177 G A -0.1595 Soluble
178 V A 0.1640 Aggregation-prone
179 H A -0.1330 Soluble
180 T A -0.0038 Soluble
181 F A 0.0000 Buried
182 P A -0.3436 Soluble
183 A A 0.1571 Aggregation-prone
184 V A 0.3998 Aggregation-prone
185 L A 0.8128 Aggregation-prone
186 Q A 0.0555 Aggregation-prone
187 S A -0.2211 Soluble
188 S A -0.2876 Soluble
189 G A -0.0293 Soluble
190 L A 0.0153 Aggregation-prone
191 Y A 0.2896 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1505 Soluble
199 V A 0.0000 Buried
200 P A -0.5494 Soluble
201 S A -0.6010 Soluble
202 S A -0.5739 Soluble
203 S A -0.6014 Soluble
204 L A -0.7539 Soluble
205 G A -0.9522 Soluble
206 T A -0.6736 Soluble
207 Q A -1.1200 Soluble
208 T A -1.0193 Soluble
209 Y A 0.0000 Buried
210 I A -1.1446 Soluble
211 C A 0.0000 Buried
212 N A -1.4543 Soluble
213 V A 0.0000 Buried
214 N A -1.8346 Soluble
215 H A 0.0000 Buried
216 K A -2.8244 Soluble
217 P A -1.6455 Soluble
218 S A -1.7941 Soluble
219 N A -2.5565 Soluble
220 T A -2.0657 Soluble
221 K A -2.6646 Soluble
222 V A -1.5684 Soluble
223 D A -2.5017 Soluble
224 K A -1.9065 Soluble
225 K A -2.3233 Soluble
226 V A 0.0000 Buried
227 E A -2.4104 Soluble
228 P A -1.2033 Soluble
3 G D -0.4822 Soluble
4 L D 0.0000 Buried
5 T D -0.4559 Soluble
6 Q D 0.0000 Buried
7 P D -0.3808 Soluble
8 P D -0.6202 Soluble
9 S D -0.6338 Soluble
11 V D -0.6126 Soluble
12 S D -0.4806 Soluble
13 V D 0.0000 Buried
14 A D -1.0378 Soluble
15 P D -1.7999 Soluble
16 G D -2.3038 Soluble
17 Q D -2.4304 Soluble
18 T D -1.9269 Soluble
19 A D 0.0000 Buried
20 R D -2.0035 Soluble
21 I D 0.0000 Buried
22 T D -0.7240 Soluble
23 C D 0.0000 Buried
24 G D -1.1709 Soluble
25 G D -1.7997 Soluble
26 N D -2.5514 Soluble
27 N D -2.8505 Soluble
28 I D 0.0000 Buried
29 G D -1.9528 Soluble
36 S D -1.4806 Soluble
37 K D -1.5109 Soluble
38 S D -1.1654 Soluble
39 V D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D -0.6561 Soluble
45 K D -1.3346 Soluble
46 P D -1.4524 Soluble
47 G D -1.5427 Soluble
48 Q D -1.6883 Soluble
49 A D -0.7910 Soluble
50 P D 0.0000 Buried
51 V D 0.9689 Aggregation-prone
52 L D 0.0000 Buried
53 V D 0.0000 Buried
54 V D 0.0000 Buried
55 Y D -1.3323 Soluble
56 D D -2.1787 Soluble
57 D D -1.8649 Soluble
65 S D -1.7392 Soluble
66 D D -2.2814 Soluble
67 R D -1.9946 Soluble
68 P D -0.7686 Soluble
69 S D -0.7154 Soluble
70 G D -0.8035 Soluble
71 I D -0.6119 Soluble
72 P D -1.2372 Soluble
74 E D -2.1254 Soluble
75 R D -1.5511 Soluble
76 F D 0.0000 Buried
77 S D -1.3160 Soluble
78 G D -1.2052 Soluble
79 S D -0.9675 Soluble
80 N D -1.4148 Soluble
83 S D -1.4044 Soluble
84 G D -2.0025 Soluble
85 N D -2.6466 Soluble
86 T D -1.4864 Soluble
87 A D 0.0000 Buried
88 T D -0.7772 Soluble
89 L D 0.0000 Buried
90 T D -1.0818 Soluble
91 I D 0.0000 Buried
92 S D -2.1025 Soluble
93 R D -2.6805 Soluble
94 V D 0.0000 Buried
95 E D -2.9100 Soluble
96 A D 0.0000 Buried
97 G D -1.6337 Soluble
98 D D 0.0000 Buried
99 E D 0.0000 Buried
100 A D 0.0000 Buried
101 D D -0.9602 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 V D 0.0000 Buried
107 W D -0.4745 Soluble
108 D D -1.0503 Soluble
109 S D -1.0378 Soluble
110 S D -0.8285 Soluble
113 S D -1.0974 Soluble
114 D D -1.5553 Soluble
115 H D -1.0596 Soluble
116 Y D 0.0000 Buried
117 V D -0.1424 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 T D -0.5292 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.1491 Soluble
124 V D 0.0000 Buried
125 T D -0.5671 Soluble
126 V D 0.0000 Buried
127 L D 0.0084 Aggregation-prone
128 R D -0.1843 Soluble
129 T D 0.2878 Aggregation-prone
130 V D 0.5443 Aggregation-prone
131 A D -0.0511 Soluble
132 A D -0.1005 Soluble
133 P D 0.0000 Buried
134 S D -0.1295 Soluble
135 V D -0.0588 Soluble
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.8891 Soluble
140 P D -0.7924 Soluble
141 S D -1.3157 Soluble
142 D D -2.5932 Soluble
143 E D -2.2097 Soluble
144 Q D 0.0000 Buried
145 L D -1.7927 Soluble
146 K D -2.5926 Soluble
147 S D -1.5731 Soluble
148 G D -1.2456 Soluble
149 T D -1.1112 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8242 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.4719 Soluble
162 R D -3.0890 Soluble
163 E D -3.2319 Soluble
164 A D -2.2582 Soluble
165 K D -2.1985 Soluble
166 V D -0.8927 Soluble
167 Q D -0.4608 Soluble
168 W D 0.0000 Buried
169 K D -0.4131 Soluble
170 V D 0.0000 Buried
171 D D -1.9844 Soluble
172 N D -1.5063 Soluble
173 A D -0.2122 Soluble
174 L D 0.7899 Aggregation-prone
175 Q D -0.0579 Soluble
176 S D -0.4458 Soluble
177 G D -0.8993 Soluble
178 N D -0.8650 Soluble
179 S D -1.0408 Soluble
180 Q D -1.2376 Soluble
181 E D -1.6227 Soluble
182 S D -0.8349 Soluble
183 V D -0.7247 Soluble
184 T D -0.9898 Soluble
185 E D -1.8457 Soluble
186 Q D 0.0000 Buried
187 D D -1.9135 Soluble
188 S D -2.1062 Soluble
189 K D -2.5947 Soluble
190 D D -1.9746 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.5927 Soluble
199 L D 0.0000 Buried
200 T D -0.4594 Soluble
201 L D -0.7978 Soluble
202 S D -1.1613 Soluble
203 K D -2.1196 Soluble
204 A D -2.0929 Soluble
205 D D -3.0210 Soluble
206 Y D 0.0000 Buried
207 E D -3.9493 Soluble
208 K D -3.7471 Soluble
209 H D -3.3340 Soluble
210 K D -3.6840 Soluble
211 V D -2.1575 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.4620 Soluble
216 V D 0.0000 Buried
217 T D -1.0870 Soluble
218 H D 0.0000 Buried
219 Q D -1.7568 Soluble
220 G D -0.4518 Soluble
221 L D -0.2432 Soluble
222 S D -0.4654 Soluble
223 S D -0.3953 Soluble
224 P D -0.4216 Soluble
225 V D 0.4099 Aggregation-prone
226 T D -0.1061 Soluble
227 K D -0.4321 Soluble
228 S D -0.9434 Soluble
229 F D 0.0000 Buried
230 N D -2.7365 Soluble
231 R D -3.2197 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 -0.6478 2.9149 CSV PDB
4.5 -0.6915 2.8823 CSV PDB
5.0 -0.7413 2.8381 CSV PDB
5.5 -0.7882 2.788 CSV PDB
6.0 -0.823 2.7356 CSV PDB
6.5 -0.8388 2.6826 CSV PDB
7.0 -0.836 2.6293 CSV PDB
7.5 -0.8211 2.5761 CSV PDB
8.0 -0.7992 2.5233 CSV PDB
8.5 -0.771 2.4717 CSV PDB
9.0 -0.7355 2.4225 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH