Onartuzumab / 4k3j

A4DAB193_4k3j_H_L | Source PDB: 4k3j | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7267
Max Score
1.1787
Min Score
-3.7123
Total Score
-318.3
Score CDR
-0.3482
Score non-CDR
-0.7777

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYWLHWVRQAPGKGLEWVGMIDPSNSDTRFNPNFKDRFTISADTSKNTAYLQMNSLRAEDTAVYYCATYRSYVTPLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCKSSQSLLYTSSQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYAYPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.7123
Maximum Score 1.1787
Average Score -0.7267
Total Score -318.3009

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

Index Residue Chain A4D Score Classification
1 E H -2.2548 Soluble
2 V H 0.0000 Buried
3 Q H -1.4726 Soluble
4 L H 0.0000 Buried
5 V H 1.1656 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3493 Soluble
8 G H -0.8834 Soluble
9 G H -0.4143 Soluble
11 G H -0.2373 Soluble
12 L H 0.0263 Aggregation-prone
13 V H -0.5826 Soluble
14 Q H -1.5804 Soluble
15 P H -1.5399 Soluble
16 G H -1.4281 Soluble
17 G H -1.1068 Soluble
18 S H -1.2539 Soluble
19 L H -1.1614 Soluble
20 R H -2.1865 Soluble
21 L H 0.0000 Buried
22 S H -0.4007 Soluble
23 C H 0.0000 Buried
24 A H -0.2005 Soluble
25 A H 0.0000 Buried
26 S H -1.1690 Soluble
27 G H -1.4107 Soluble
28 Y H -0.8394 Soluble
29 T H -0.2287 Soluble
30 F H 0.0000 Buried
35 T H -0.5096 Soluble
36 S H -0.1579 Soluble
37 Y H 0.0586 Aggregation-prone
38 W H -0.0694 Soluble
39 L H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.5698 Soluble
44 Q H -0.9183 Soluble
45 A H -1.2740 Soluble
46 P H -1.0340 Soluble
47 G H -1.5494 Soluble
48 K H -2.4108 Soluble
49 G H -1.7187 Soluble
50 L H 0.0000 Buried
51 E H -1.1935 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 M H 0.0000 Buried
56 I H 0.0000 Buried
57 D H -1.0994 Soluble
58 P H 0.0000 Buried
59 S H -1.1495 Soluble
62 N H -1.7895 Soluble
63 S H -1.4235 Soluble
64 D H -1.6482 Soluble
65 T H -1.4977 Soluble
66 R H -1.6655 Soluble
67 F H 0.0000 Buried
68 N H 0.0000 Buried
69 P H -2.0826 Soluble
70 N H -2.2825 Soluble
71 F H 0.0000 Buried
72 K H -3.3271 Soluble
74 D H -3.0841 Soluble
75 R H -2.0078 Soluble
76 F H 0.0000 Buried
77 T H -1.2997 Soluble
78 I H 0.0000 Buried
79 S H -0.6947 Soluble
80 A H -1.0363 Soluble
81 D H -1.3650 Soluble
82 T H -1.3470 Soluble
83 S H -1.3759 Soluble
84 K H -2.2445 Soluble
85 N H -1.6156 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 -1.4039 Soluble
91 M H 0.0000 Buried
92 N H -1.4946 Soluble
93 S H -1.3742 Soluble
94 L H 0.0000 Buried
95 R H -2.2728 Soluble
96 A H -1.7087 Soluble
97 E H -2.1749 Soluble
98 D H 0.0000 Buried
99 T H -0.7443 Soluble
100 A H 0.0000 Buried
101 V H 0.1093 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 T H 0.0000 Buried
107 Y H -0.3347 Soluble
108 R H -1.2624 Soluble
109 S H -0.0853 Soluble
110 Y H 1.1509 Aggregation-prone
112 V H 0.6806 Aggregation-prone
113 T H 0.0000 Buried
114 P H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.8103 Soluble
117 Y H -0.6717 Soluble
118 W H -0.2938 Soluble
119 G H 0.0000 Buried
120 Q H -1.1244 Soluble
121 G H 0.0000 Buried
122 T H 0.0128 Aggregation-prone
123 L H 0.0481 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4018 Soluble
126 V H 0.0000 Buried
127 S H -0.7218 Soluble
128 S H -0.6714 Soluble
129 A H -0.5323 Soluble
130 S H -0.7862 Soluble
131 T H -1.1321 Soluble
132 K H -2.0337 Soluble
133 G H -1.8302 Soluble
134 P H -0.8368 Soluble
135 S H -0.5467 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0524 Soluble
139 L H 0.0000 Buried
140 A H -1.2258 Soluble
141 P H 0.0000 Buried
142 S H -1.2300 Soluble
143 S H -1.4845 Soluble
144 K H -1.9272 Soluble
145 S H -1.1691 Soluble
146 T H -0.9625 Soluble
147 S H -0.9175 Soluble
148 G H -0.7738 Soluble
149 G H -0.5889 Soluble
150 T H -0.4312 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 -0.6531 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.6047 Soluble
164 P H -0.7585 Soluble
165 V H -0.7097 Soluble
166 T H -0.6078 Soluble
167 V H -0.2317 Soluble
168 S H -0.4478 Soluble
169 W H 0.0000 Buried
170 N H -0.7096 Soluble
171 S H -0.6831 Soluble
172 G H -0.5808 Soluble
173 A H -0.2480 Soluble
174 L H 0.0112 Aggregation-prone
175 T H -0.1812 Soluble
176 S H -0.1950 Soluble
177 G H -0.2360 Soluble
178 V H 0.1355 Aggregation-prone
179 H H -0.3605 Soluble
180 T H -0.0098 Soluble
181 F H 0.0000 Buried
182 P H -0.3640 Soluble
183 A H 0.1870 Aggregation-prone
184 V H 0.5029 Aggregation-prone
185 L H 1.1787 Aggregation-prone
186 Q H 0.2656 Aggregation-prone
187 S H -0.0686 Soluble
188 S H -0.2180 Soluble
189 G H 0.0580 Aggregation-prone
190 L H 0.0824 Aggregation-prone
191 Y H 0.3510 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 -0.1261 Soluble
199 V H 0.0000 Buried
200 P H -0.5506 Soluble
201 S H -0.8240 Soluble
202 S H -0.6588 Soluble
203 S H -0.6212 Soluble
204 L H -0.7949 Soluble
205 G H -1.0832 Soluble
206 T H -0.9204 Soluble
207 Q H -1.2821 Soluble
208 T H -1.0799 Soluble
209 Y H 0.0000 Buried
210 I H -1.1003 Soluble
211 C H 0.0000 Buried
212 N H -1.4803 Soluble
213 V H 0.0000 Buried
214 N H -2.0865 Soluble
215 H H 0.0000 Buried
216 K H -2.8524 Soluble
217 P H -1.7829 Soluble
218 S H -2.1153 Soluble
219 N H -2.7491 Soluble
220 T H -2.1652 Soluble
221 K H -2.7165 Soluble
222 V H -1.4970 Soluble
223 D H -2.4234 Soluble
224 K H -1.9849 Soluble
225 K H -2.1018 Soluble
226 V H 0.0000 Buried
227 E H -2.8153 Soluble
228 P H -2.0049 Soluble
229 K H -2.5792 Soluble
230 S H -1.3017 Soluble
1 D L -1.9247 Soluble
2 I L -1.3471 Soluble
3 Q L -2.1866 Soluble
4 M L 0.0000 Buried
5 T L -1.3171 Soluble
6 Q L 0.0000 Buried
7 S L -0.6726 Soluble
8 P L -0.6504 Soluble
9 S L -0.9508 Soluble
10 S L -0.9376 Soluble
11 L L -0.5949 Soluble
12 S L -0.9137 Soluble
13 A L -1.0030 Soluble
14 S L -0.9895 Soluble
15 V L -0.3997 Soluble
16 G L -1.0157 Soluble
17 D L -1.8518 Soluble
18 R L -2.3903 Soluble
19 V L 0.0000 Buried
20 T L -0.5904 Soluble
21 I L 0.0000 Buried
22 T L -0.7292 Soluble
23 C L 0.0000 Buried
24 K L -2.3483 Soluble
25 S L 0.0000 Buried
26 S L -1.7257 Soluble
27 Q L -1.4924 Soluble
28 S L -0.6561 Soluble
29 L L 0.0000 Buried
30 L L 0.0684 Aggregation-prone
31 Y L 0.2388 Aggregation-prone
32 T L -0.4292 Soluble
33 S L -0.5592 Soluble
34 S L -0.8503 Soluble
35 Q L -1.3443 Soluble
36 K L -0.8601 Soluble
37 N L 0.0000 Buried
38 Y L 0.3603 Aggregation-prone
39 L L 0.0000 Buried
40 A 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 0.0000 Buried
45 K L -1.7075 Soluble
46 P L -1.4910 Soluble
47 G L -1.5100 Soluble
48 K L -2.0829 Soluble
49 A L -1.2866 Soluble
50 P L 0.0000 Buried
51 K L -1.1621 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0771 Soluble
56 W L -0.0781 Soluble
57 A L 0.0000 Buried
65 S L -0.6370 Soluble
66 T L -0.6245 Soluble
67 R L -1.2514 Soluble
68 E L -1.0936 Soluble
69 S L -0.7949 Soluble
70 G L -0.7530 Soluble
71 V L -0.6844 Soluble
72 P L -0.5474 Soluble
74 S L -0.6736 Soluble
75 R L -0.8860 Soluble
76 F L 0.0000 Buried
77 S L -0.5764 Soluble
78 G L -0.4735 Soluble
79 S L -0.6324 Soluble
80 G L -0.9848 Soluble
83 S L -0.8709 Soluble
84 G L -0.8219 Soluble
85 T L -1.4352 Soluble
86 D L -1.9888 Soluble
87 F L 0.0000 Buried
88 T L -0.6988 Soluble
89 L L 0.0000 Buried
90 T L -0.6123 Soluble
91 I L 0.0000 Buried
92 S L -1.5176 Soluble
93 S L -1.2291 Soluble
94 L L 0.0000 Buried
95 Q L -1.1119 Soluble
96 P L -1.8674 Soluble
97 E L -2.1450 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L 0.0000 Buried
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 Y L 0.9503 Aggregation-prone
109 A L 0.5479 Aggregation-prone
114 Y L 0.5574 Aggregation-prone
115 P L -0.2226 Soluble
116 W L 0.0000 Buried
117 T L -0.6041 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8393 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.8404 Soluble
124 V L 0.0000 Buried
125 E L -1.5013 Soluble
126 I L 0.0000 Buried
127 K L -1.1972 Soluble
128 R L -0.9046 Soluble
129 T L -0.0832 Soluble
130 V L 0.2926 Aggregation-prone
131 A L 0.1437 Aggregation-prone
132 A L -0.0888 Soluble
133 P L 0.0000 Buried
134 S L -0.1248 Soluble
135 V L 0.0000 Buried
136 F L -0.0271 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7706 Soluble
140 P L 0.0000 Buried
141 S L -1.8026 Soluble
142 D L -3.0571 Soluble
143 E L -2.8948 Soluble
144 Q L 0.0000 Buried
145 L L -2.2632 Soluble
146 K L -2.8133 Soluble
147 S L -1.7893 Soluble
148 G L -1.2891 Soluble
149 T L -0.9462 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 -0.9423 Soluble
159 F L 0.0000 Buried
160 Y L -1.0605 Soluble
161 P L -1.5361 Soluble
162 R L -2.4918 Soluble
163 E L -2.9789 Soluble
164 A L -2.0605 Soluble
165 K L -1.9997 Soluble
166 V L -0.9179 Soluble
167 Q L -0.6021 Soluble
168 W L 0.0000 Buried
169 K L -0.5189 Soluble
170 V L 0.0000 Buried
171 D L -1.6352 Soluble
172 N L -1.4110 Soluble
173 A L -0.2455 Soluble
174 L L 0.5733 Aggregation-prone
175 Q L -0.3509 Soluble
176 S L -0.6448 Soluble
177 G L -1.1760 Soluble
178 N L -1.3516 Soluble
179 S L -1.3934 Soluble
180 Q L -1.5174 Soluble
181 E L -1.9641 Soluble
182 S L -1.0728 Soluble
183 V L -0.9049 Soluble
184 T L -1.1912 Soluble
185 E L -2.1742 Soluble
186 Q L 0.0000 Buried
187 D L -2.5721 Soluble
188 S L -2.5422 Soluble
189 K L -2.9925 Soluble
190 D L -2.6449 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 -0.7218 Soluble
199 L L 0.0000 Buried
200 T L -0.6433 Soluble
201 L L -0.8646 Soluble
202 S L -1.4028 Soluble
203 K L -2.2425 Soluble
204 A L -2.0707 Soluble
205 D L -2.8653 Soluble
206 Y L 0.0000 Buried
207 E L -3.4899 Soluble
208 K L -3.7123 Soluble
209 H L -3.1763 Soluble
210 K L -3.2519 Soluble
211 V L -1.6199 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6766 Soluble
216 V L 0.0000 Buried
217 T L -1.0193 Soluble
218 H L 0.0000 Buried
219 Q L -1.6405 Soluble
220 G L -0.4096 Soluble
221 L L -0.1785 Soluble
222 S L -0.4127 Soluble
223 S L -0.4034 Soluble
224 P L -0.4345 Soluble
225 V L 0.1202 Aggregation-prone
226 T L -0.4417 Soluble
227 K L -0.6937 Soluble
228 S L -0.7771 Soluble
229 F L -1.0517 Soluble
230 N L -2.2987 Soluble
231 R L -2.9687 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.8361 1.3986 CSV PDB
4.5 -0.8766 1.3857 CSV PDB
5.0 -0.9238 1.3714 CSV PDB
5.5 -0.968 1.3567 CSV PDB
6.0 -0.9977 1.3417 CSV PDB
6.5 -1.0035 1.3267 CSV PDB
7.0 -0.9856 1.3119 CSV PDB
7.5 -0.953 1.36 CSV PDB
8.0 -0.9126 1.4314 CSV PDB
8.5 -0.867 1.5113 CSV PDB
9.0 -0.8154 1.6227 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH