Necitumumab / 3b2u

A4DAB177_3b2u_W_X | Source PDB: 3b2u | Chains: W, X | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.663
Max Score
1.9021
Min Score
-3.5807
Total Score
-284.44
Score CDR
-0.0478
Score non-CDR
-0.7405

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) W (Heavy), X (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 -3.5807
Maximum Score 1.9021
Average Score -0.663
Total Score -284.4373

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

Index Residue Chain A4D Score Classification
1 Q W -1.5501 Soluble
2 V W -0.9722 Soluble
3 Q W -1.7474 Soluble
4 L W 0.0000 Buried
5 Q W -1.5481 Soluble
6 E W 0.0000 Buried
7 S W -0.6250 Soluble
8 G W -0.5175 Soluble
9 P W -0.2860 Soluble
11 G W 0.0293 Aggregation-prone
12 L W 0.0632 Aggregation-prone
13 V W 0.0000 Buried
14 K W -2.1150 Soluble
15 P W -1.5478 Soluble
16 S W -1.5468 Soluble
17 Q W -2.1125 Soluble
18 T W -1.6873 Soluble
19 L W 0.0000 Buried
20 S W -0.7369 Soluble
21 L W 0.0000 Buried
22 T W -0.5595 Soluble
23 C W 0.0000 Buried
24 T W -1.1160 Soluble
25 V W 0.0000 Buried
26 S W -1.2767 Soluble
27 G W -1.2955 Soluble
28 G W -1.0552 Soluble
29 S W -0.8632 Soluble
30 I W 0.0000 Buried
31 S W -0.0142 Soluble
34 S W -0.1673 Soluble
35 G W 0.1167 Aggregation-prone
36 D W -0.0931 Soluble
37 Y W 0.6422 Aggregation-prone
38 Y W 0.7508 Aggregation-prone
39 W W 0.0000 Buried
40 S W 0.0000 Buried
41 W W 0.0000 Buried
42 I W 0.0000 Buried
43 R W 0.0000 Buried
44 Q W -0.6418 Soluble
45 P W -0.7358 Soluble
46 P W -0.8852 Soluble
47 G W -1.4712 Soluble
48 K W -2.2408 Soluble
49 G W -1.3470 Soluble
50 L W 0.0000 Buried
51 E W -0.6671 Soluble
52 W W 0.0000 Buried
53 I W 0.0000 Buried
54 G W 0.0000 Buried
55 Y W 0.0799 Aggregation-prone
56 I W 0.0000 Buried
57 Y W 0.5677 Aggregation-prone
58 Y W 1.1225 Aggregation-prone
59 S W 0.1599 Aggregation-prone
63 G W -0.1224 Soluble
64 S W -0.3939 Soluble
65 T W -0.3647 Soluble
66 D W -0.8003 Soluble
67 Y W -0.4551 Soluble
68 N W -0.9211 Soluble
69 P W -1.2922 Soluble
70 S W -1.2167 Soluble
71 L W 0.0000 Buried
72 K W -2.0320 Soluble
74 S W -1.3581 Soluble
75 R W -1.5372 Soluble
76 V W 0.0000 Buried
77 T W -0.7133 Soluble
78 M W 0.0000 Buried
79 S W -0.1110 Soluble
80 V W 0.1194 Aggregation-prone
81 D W -1.1339 Soluble
82 T W -0.9460 Soluble
83 S W -1.3092 Soluble
84 K W -2.1336 Soluble
85 N W -1.5120 Soluble
86 Q W -1.1406 Soluble
87 F W 0.0000 Buried
88 S W -0.4047 Soluble
89 L W 0.0000 Buried
90 K W -1.4658 Soluble
91 V W 0.0000 Buried
92 N W -1.7724 Soluble
93 S W -1.4653 Soluble
94 V W 0.0000 Buried
95 T W -0.7300 Soluble
96 A W -0.2238 Soluble
97 A W 0.0546 Aggregation-prone
98 D W 0.0000 Buried
99 T W 0.1902 Aggregation-prone
100 A W 0.0000 Buried
101 V W 0.3651 Aggregation-prone
102 Y W 0.0000 Buried
103 Y W 0.0000 Buried
104 C W 0.0000 Buried
105 A W 0.0000 Buried
106 R W 0.0000 Buried
107 V W 0.6816 Aggregation-prone
108 S W 0.0000 Buried
109 I W 1.4320 Aggregation-prone
110 F W 1.9021 Aggregation-prone
111 G W 0.6536 Aggregation-prone
112 V W 0.3353 Aggregation-prone
113 G W 0.7733 Aggregation-prone
114 T W 0.0000 Buried
115 F W 0.0000 Buried
116 D W -0.1902 Soluble
117 Y W 0.1539 Aggregation-prone
118 W W -0.5005 Soluble
119 G W 0.0000 Buried
120 Q W -1.7644 Soluble
121 G W 0.0000 Buried
122 T W -0.1121 Soluble
123 L W 0.7297 Aggregation-prone
124 V W 0.0000 Buried
125 T W 0.0000 Buried
126 V W 0.0000 Buried
127 S W -0.6642 Soluble
128 S W -0.8529 Soluble
129 A W -0.6366 Soluble
130 S W -0.5229 Soluble
131 T W -0.6808 Soluble
132 K W -1.3864 Soluble
133 G W -1.5542 Soluble
134 P W -0.7951 Soluble
135 S W -0.4278 Soluble
136 V W 0.0000 Buried
137 F W 0.0000 Buried
138 P W -1.3666 Soluble
139 L W 0.0000 Buried
140 A W -1.2202 Soluble
141 P W 0.0000 Buried
142 S W -0.6391 Soluble
143 G W -0.7129 Soluble
144 T W -0.5265 Soluble
145 A W -0.2992 Soluble
146 A W 0.0000 Buried
147 L W 0.0000 Buried
148 G W 0.0000 Buried
149 C W 0.0000 Buried
150 L W 0.0000 Buried
151 V W 0.0000 Buried
152 K W -0.4780 Soluble
153 D W -0.7951 Soluble
154 Y W 0.0000 Buried
155 F W 0.0000 Buried
156 P W -1.2482 Soluble
157 E W -1.7842 Soluble
158 P W -1.4065 Soluble
159 V W -0.7779 Soluble
160 T W -0.4973 Soluble
161 V W -0.0090 Soluble
162 S W -0.3994 Soluble
163 W W 0.0000 Buried
164 N W -0.8563 Soluble
165 S W -0.6886 Soluble
166 G W -0.4625 Soluble
167 A W -0.2225 Soluble
168 L W 0.0252 Aggregation-prone
169 T W -0.1719 Soluble
170 S W -0.2303 Soluble
171 G W -0.3479 Soluble
172 V W 0.1303 Aggregation-prone
173 H W -0.1857 Soluble
174 T W 0.0704 Aggregation-prone
175 F W 0.0000 Buried
176 P W -0.3365 Soluble
177 A W 0.0208 Aggregation-prone
178 V W 0.4100 Aggregation-prone
179 L W 1.0300 Aggregation-prone
180 Q W 0.0823 Aggregation-prone
181 S W -0.1170 Soluble
182 S W -0.2822 Soluble
183 G W -0.1355 Soluble
184 L W -0.2641 Soluble
185 Y W 0.0000 Buried
186 S W -0.0961 Soluble
187 L W 0.0000 Buried
188 S W -0.0657 Soluble
189 S W 0.0000 Buried
190 V W 0.0000 Buried
191 V W 0.0000 Buried
192 T W -0.1796 Soluble
193 V W 0.0000 Buried
194 P W -0.6908 Soluble
195 S W -0.6775 Soluble
196 S W -0.7096 Soluble
197 S W -0.7739 Soluble
198 L W -0.9544 Soluble
199 G W -1.1119 Soluble
200 T W -0.8808 Soluble
201 Q W -1.5418 Soluble
202 T W -1.2442 Soluble
203 Y W 0.0000 Buried
204 I W -1.3732 Soluble
205 C W 0.0000 Buried
206 N W -1.7028 Soluble
207 V W 0.0000 Buried
208 N W -1.9565 Soluble
209 H W 0.0000 Buried
210 K W -2.8774 Soluble
211 P W -1.8157 Soluble
212 S W -1.8831 Soluble
213 N W -2.6345 Soluble
214 T W -2.1167 Soluble
215 K W -2.7665 Soluble
216 V W -1.7440 Soluble
217 D W -2.8201 Soluble
218 K W -2.3817 Soluble
219 K W -2.5458 Soluble
220 V W 0.0000 Buried
221 E W -2.9448 Soluble
222 P W -1.9811 Soluble
223 K W -2.5127 Soluble
1 E X -1.6142 Soluble
2 I X -0.5007 Soluble
3 V X 0.3242 Aggregation-prone
4 M X 0.0000 Buried
5 T X -0.5599 Soluble
6 Q X 0.0000 Buried
7 S X -0.6346 Soluble
8 P X -0.3081 Soluble
9 A X -0.2664 Soluble
10 T X -0.1622 Soluble
11 L X -0.0504 Soluble
12 S X -0.4394 Soluble
13 L X 0.0000 Buried
14 S X -1.4162 Soluble
15 P X -1.7857 Soluble
16 G X -1.8419 Soluble
17 E X -2.4751 Soluble
18 R X -2.6321 Soluble
19 A X 0.0000 Buried
20 T X -0.5331 Soluble
21 L X 0.0000 Buried
22 S X -0.8870 Soluble
23 C X 0.0000 Buried
24 R X -2.6128 Soluble
25 A X 0.0000 Buried
26 S X -1.1810 Soluble
27 Q X -1.6206 Soluble
28 S X -1.3323 Soluble
29 V X 0.0000 Buried
36 S X -0.6059 Soluble
37 S X -0.1381 Soluble
38 Y X 0.5948 Aggregation-prone
39 L X 0.0000 Buried
40 A X 0.0000 Buried
41 W X 0.0000 Buried
42 Y X 0.0000 Buried
43 Q X 0.0000 Buried
44 Q X -1.0411 Soluble
45 K X -1.5534 Soluble
46 P X -1.3606 Soluble
47 G X -1.4860 Soluble
48 Q X -2.1611 Soluble
49 A X -1.3427 Soluble
50 P X 0.0000 Buried
51 R X -1.2971 Soluble
52 L X -0.5166 Soluble
53 L X 0.0000 Buried
54 I X 0.0000 Buried
55 Y X -0.6350 Soluble
56 D X -0.9449 Soluble
57 A X 0.0000 Buried
65 S X -1.3173 Soluble
66 N X -1.9471 Soluble
67 R X -2.0520 Soluble
68 A X 0.0000 Buried
69 T X -0.7276 Soluble
70 G X -0.7255 Soluble
71 I X 0.0000 Buried
72 P X -0.5097 Soluble
74 A X -0.4782 Soluble
75 R X -0.7652 Soluble
76 F X 0.0000 Buried
77 S X -0.8405 Soluble
78 G X -0.8791 Soluble
79 S X -1.0151 Soluble
80 G X -1.4153 Soluble
83 S X -1.0180 Soluble
84 G X -1.2718 Soluble
85 T X -2.0845 Soluble
86 D X -2.7335 Soluble
87 F X 0.0000 Buried
88 T X -0.8949 Soluble
89 L X 0.0000 Buried
90 T X -0.6075 Soluble
91 I X 0.0000 Buried
92 S X -1.4054 Soluble
93 S X -1.7807 Soluble
94 L X 0.0000 Buried
95 E X -2.1243 Soluble
96 P X -1.6233 Soluble
97 E X -2.3010 Soluble
98 D X 0.0000 Buried
99 F X -0.5563 Soluble
100 A X 0.0000 Buried
101 V X -0.1659 Soluble
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 H X 0.0000 Buried
106 Q X 0.0000 Buried
107 Y X 0.2502 Aggregation-prone
108 G X -0.0001 Buried
109 S X -0.4821 Soluble
114 T X -0.5685 Soluble
115 P X -0.7210 Soluble
116 L X -0.0646 Soluble
117 T X -0.0747 Soluble
118 F X 0.2562 Aggregation-prone
119 G X 0.0000 Buried
120 G X -0.7036 Soluble
121 G X -0.6234 Soluble
122 T X 0.0000 Buried
123 K X -0.4156 Soluble
124 A X 0.0000 Buried
125 E X 0.0000 Buried
126 I X -0.4111 Soluble
127 K X -1.2984 Soluble
128 R X -0.8608 Soluble
129 T X 0.1364 Aggregation-prone
130 V X 0.9865 Aggregation-prone
131 A X 0.4999 Aggregation-prone
132 A X 0.0541 Aggregation-prone
133 P X 0.0000 Buried
134 S X -0.1846 Soluble
135 V X 0.0000 Buried
136 F X 0.1713 Aggregation-prone
137 I X 0.1650 Aggregation-prone
138 F X 0.0000 Buried
139 P X -0.4731 Soluble
140 P X -0.7677 Soluble
141 S X -1.9270 Soluble
142 D X -3.2185 Soluble
143 E X -3.1913 Soluble
144 Q X 0.0000 Buried
145 L X -2.1773 Soluble
146 K X -2.7857 Soluble
147 S X -1.6974 Soluble
148 G X -1.1237 Soluble
149 T X -0.6948 Soluble
150 A X 0.0000 Buried
151 S X 0.0000 Buried
152 V X 0.0000 Buried
153 V X 0.0000 Buried
154 C X 0.0000 Buried
155 L X 0.0000 Buried
156 L X 0.0000 Buried
157 N X 0.0000 Buried
158 N X -0.8367 Soluble
159 F X 0.0000 Buried
160 Y X 0.0000 Buried
161 P X -1.5185 Soluble
162 R X -2.6075 Soluble
163 E X -3.2229 Soluble
164 A X -2.2737 Soluble
165 K X -2.2346 Soluble
166 V X -1.3282 Soluble
167 Q X -1.1358 Soluble
168 W X 0.0000 Buried
169 K X -0.8691 Soluble
170 V X 0.0000 Buried
171 D X -1.9146 Soluble
172 N X -1.5026 Soluble
173 A X -0.4321 Soluble
174 L X 0.2848 Aggregation-prone
175 Q X -0.4950 Soluble
176 S X -0.7579 Soluble
177 G X -1.3047 Soluble
178 N X -1.6206 Soluble
179 S X -1.5904 Soluble
180 Q X -1.6789 Soluble
181 E X -1.5215 Soluble
182 S X -0.3779 Soluble
183 V X -0.0069 Soluble
184 T X -0.6493 Soluble
185 E X -2.0741 Soluble
186 Q X -1.8157 Soluble
187 D X -2.0325 Soluble
188 S X -1.7996 Soluble
189 K X -2.3720 Soluble
190 D X -2.0389 Soluble
191 S X -1.8099 Soluble
192 T X 0.0000 Buried
193 Y X -1.2536 Soluble
194 S X 0.0000 Buried
195 L X 0.0000 Buried
196 S X 0.0000 Buried
197 S X 0.0000 Buried
198 T X -0.7991 Soluble
199 L X 0.0000 Buried
200 T X -0.5455 Soluble
201 L X -0.7138 Soluble
202 S X -0.9225 Soluble
203 K X -1.9007 Soluble
204 A X -1.7858 Soluble
205 D X -2.3914 Soluble
206 Y X 0.0000 Buried
207 E X -3.5322 Soluble
208 K X -3.5807 Soluble
209 H X -2.9289 Soluble
210 K X -2.3493 Soluble
211 V X -0.9533 Soluble
212 Y X 0.0000 Buried
213 A X 0.0000 Buried
214 C X 0.0000 Buried
215 E X -1.3243 Soluble
216 V X 0.0000 Buried
217 T X -1.3032 Soluble
218 H X 0.0000 Buried
219 Q X -1.2685 Soluble
220 G X -0.2681 Soluble
221 L X -0.2089 Soluble
222 S X -0.3968 Soluble
223 S X -0.3892 Soluble
224 P X -0.6395 Soluble
225 V X -0.1377 Soluble
226 T X -0.6139 Soluble
227 K X -0.6246 Soluble
228 S X -0.4985 Soluble
229 F X -0.4915 Soluble
230 N X -1.3171 Soluble
231 R X -1.8338 Soluble
232 G X -1.2343 Soluble
233 A X -0.6734 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
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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 -0.6309 4.8605 CSV PDB
4.5 -0.6705 4.8213 CSV PDB
5.0 -0.7175 4.7693 CSV PDB
5.5 -0.7623 4.7112 CSV PDB
6.0 -0.7936 4.6507 CSV PDB
6.5 -0.8032 4.5895 CSV PDB
7.0 -0.791 4.5282 CSV PDB
7.5 -0.764 4.4672 CSV PDB
8.0 -0.7287 4.4071 CSV PDB
8.5 -0.6877 4.3502 CSV PDB
9.0 -0.6411 4.301 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH