Necitumumab / 3b2u

A4DAB177_3b2u_H_L | Source PDB: 3b2u | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6387
Max Score
1.8089
Min Score
-3.8749
Total Score
-274.63
Score CDR
-0.0471
Score non-CDR
-0.713

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.8749
Maximum Score 1.8089
Average Score -0.6387
Total Score -274.6316

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

Index Residue Chain A4D Score Classification
1 Q H -1.6708 Soluble
2 V H -1.1361 Soluble
3 Q H -1.7879 Soluble
4 L H 0.0000 Buried
5 Q H -1.5074 Soluble
6 E H 0.0000 Buried
7 S H -0.6990 Soluble
8 G H -0.4634 Soluble
9 P H -0.2360 Soluble
11 G H 0.1186 Aggregation-prone
12 L H 0.2903 Aggregation-prone
13 V H -0.7527 Soluble
14 K H -1.9917 Soluble
15 P H -1.4555 Soluble
16 S H -1.5362 Soluble
17 Q H -2.0823 Soluble
18 T H -1.6859 Soluble
19 L H 0.0000 Buried
20 S H -0.8389 Soluble
21 L H 0.0000 Buried
22 T H -0.6387 Soluble
23 C H 0.0000 Buried
24 T H -1.2013 Soluble
25 V H 0.0000 Buried
26 S H -1.5483 Soluble
27 G H -1.4505 Soluble
28 G H -1.2005 Soluble
29 S H -0.8982 Soluble
30 I H 0.0000 Buried
31 S H -0.2540 Soluble
34 S H -0.2210 Soluble
35 G H -0.0130 Soluble
36 D H -0.3237 Soluble
37 Y H 0.5188 Aggregation-prone
38 Y H 0.7466 Aggregation-prone
39 W H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.6649 Soluble
45 P H -0.7976 Soluble
46 P H -0.9247 Soluble
47 G H -1.4920 Soluble
48 K H -2.2815 Soluble
49 G H -1.4083 Soluble
50 L H 0.0000 Buried
51 E H -0.6770 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.2948 Aggregation-prone
56 I H 0.0000 Buried
57 Y H 0.6179 Aggregation-prone
58 Y H 1.0585 Aggregation-prone
59 S H 0.1564 Aggregation-prone
63 G H -0.1332 Soluble
64 S H -0.2836 Soluble
65 T H -0.1122 Soluble
66 D H -0.2796 Soluble
67 Y H -0.2139 Soluble
68 N H -0.7949 Soluble
69 P H -1.2324 Soluble
70 S H -1.1715 Soluble
71 L H 0.0000 Buried
72 K H -2.0289 Soluble
74 S H -1.3652 Soluble
75 R H -1.5560 Soluble
76 V H 0.0000 Buried
77 T H -0.6660 Soluble
78 M H 0.0000 Buried
79 S H -0.3933 Soluble
80 V H -0.5268 Soluble
81 D H -2.2473 Soluble
82 T H -1.4957 Soluble
83 S H -1.6847 Soluble
84 K H -2.4500 Soluble
85 N H -1.7861 Soluble
86 Q H -1.5234 Soluble
87 F H 0.0000 Buried
88 S H -0.5544 Soluble
89 L H 0.0000 Buried
90 K H -1.4815 Soluble
91 V H 0.0000 Buried
92 N H -1.8466 Soluble
93 S H -1.4358 Soluble
94 V H 0.0000 Buried
95 T H -0.7168 Soluble
96 A H -0.2105 Soluble
97 A H 0.0446 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.2410 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.4219 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 R H 0.0000 Buried
107 V H 0.6471 Aggregation-prone
108 S H 0.6861 Aggregation-prone
109 I H 1.2607 Aggregation-prone
110 F H 1.8089 Aggregation-prone
111 G H 0.6558 Aggregation-prone
112 V H 0.4095 Aggregation-prone
113 G H 0.8098 Aggregation-prone
114 T H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.2285 Soluble
117 Y H 0.0965 Aggregation-prone
118 W H -0.5346 Soluble
119 G H 0.0000 Buried
120 Q H -1.7507 Soluble
121 G H 0.0000 Buried
122 T H -0.0422 Soluble
123 L H 0.8385 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0010 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.6456 Soluble
128 S H -0.7812 Soluble
129 A H -0.6419 Soluble
130 S H -0.5530 Soluble
131 T H -0.9110 Soluble
132 K H -1.4542 Soluble
133 G H -1.4727 Soluble
134 P H -0.6448 Soluble
135 S H -0.2206 Soluble
136 V H 0.0000 Buried
137 F H -0.6263 Soluble
138 P H -0.9574 Soluble
139 L H 0.0000 Buried
140 A H -1.0941 Soluble
141 P H 0.0000 Buried
142 S H -0.7783 Soluble
143 S H -0.2661 Soluble
144 G H -0.6440 Soluble
145 T H -0.4870 Soluble
146 A H -0.2893 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.5319 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -1.1367 Soluble
158 E H -1.6589 Soluble
159 P H -1.3204 Soluble
160 V H -0.8826 Soluble
161 T H -0.6156 Soluble
162 V H -0.3734 Soluble
163 S H -0.3443 Soluble
164 W H 0.0000 Buried
165 N H -0.6805 Soluble
166 S H -0.6217 Soluble
167 G H -0.6107 Soluble
168 A H -0.2526 Soluble
169 L H 0.0529 Aggregation-prone
170 T H -0.1805 Soluble
171 S H -0.2181 Soluble
172 G H -0.2568 Soluble
173 V H 0.1617 Aggregation-prone
174 H H -0.2033 Soluble
175 T H 0.0776 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.4039 Soluble
178 A H 0.1094 Aggregation-prone
179 V H 0.5539 Aggregation-prone
180 L H 1.1617 Aggregation-prone
181 Q H 0.2189 Aggregation-prone
182 S H -0.0986 Soluble
183 S H -0.2360 Soluble
184 G H -0.0426 Soluble
185 L H -0.1158 Soluble
186 Y H 0.0000 Buried
187 S H 0.1819 Aggregation-prone
188 L H 0.3011 Aggregation-prone
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1328 Soluble
194 V H 0.0000 Buried
195 P H -0.5058 Soluble
196 S H -0.5431 Soluble
197 S H -0.6157 Soluble
198 S H -0.6739 Soluble
199 L H -0.8011 Soluble
200 G H -1.0609 Soluble
201 T H -0.8397 Soluble
202 Q H -1.4676 Soluble
203 T H -1.1375 Soluble
204 Y H 0.0000 Buried
205 I H -0.8492 Soluble
206 C H 0.0000 Buried
207 N H -1.3051 Soluble
208 V H 0.0000 Buried
209 N H -1.6989 Soluble
210 H H 0.0000 Buried
211 K H -2.7613 Soluble
212 P H -1.8325 Soluble
213 S H -2.0865 Soluble
214 N H -2.4339 Soluble
215 T H -2.0163 Soluble
216 K H -2.5241 Soluble
217 V H -1.3558 Soluble
218 D H -2.3818 Soluble
219 K H -1.9182 Soluble
220 K H -2.2706 Soluble
221 V H 0.0000 Buried
222 E H -2.6626 Soluble
223 P H -1.8839 Soluble
224 K H -2.2429 Soluble
1 E L -1.6189 Soluble
2 I L 0.0000 Buried
3 V L 0.8053 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.4245 Soluble
6 Q L 0.0000 Buried
7 S L -0.5425 Soluble
8 P L -0.3124 Soluble
9 A L -0.2739 Soluble
10 T L -0.1604 Soluble
11 L L -0.1098 Soluble
12 S L -0.3721 Soluble
13 L L -0.8362 Soluble
14 S L -1.2418 Soluble
15 P L -1.6334 Soluble
16 G L -1.7052 Soluble
17 E L -2.1464 Soluble
18 R L -2.4731 Soluble
19 A L 0.0000 Buried
20 T L -0.5230 Soluble
21 L L 0.0000 Buried
22 S L -0.7293 Soluble
23 C L 0.0000 Buried
24 R L -1.7163 Soluble
25 A L 0.0000 Buried
26 S L -0.9267 Soluble
27 Q L -1.5332 Soluble
28 S L -1.2174 Soluble
29 V L 0.0000 Buried
36 S L -0.5057 Soluble
37 S L -0.2603 Soluble
38 Y L 0.6985 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 -2.0409 Soluble
46 P L -1.5720 Soluble
47 G L -1.5829 Soluble
48 Q L -2.3169 Soluble
49 A L -1.4238 Soluble
50 P L 0.0000 Buried
51 R L -1.7082 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.6897 Soluble
56 D L -1.0835 Soluble
57 A L 0.0000 Buried
65 S L -1.3816 Soluble
66 N L -2.0500 Soluble
67 R L -1.8083 Soluble
68 A L -0.9766 Soluble
69 T L -0.6075 Soluble
70 G L -0.5590 Soluble
71 I L -0.5199 Soluble
72 P L -0.3378 Soluble
74 A L -0.3370 Soluble
75 R L -0.6873 Soluble
76 F L 0.0000 Buried
77 S L -0.7108 Soluble
78 G L -0.8429 Soluble
79 S L -0.9854 Soluble
80 G L -1.0840 Soluble
83 S L -0.8743 Soluble
84 G L -0.9973 Soluble
85 T L -1.6181 Soluble
86 D L -2.0013 Soluble
87 F L 0.0000 Buried
88 T L -0.7144 Soluble
89 L L 0.0000 Buried
90 T L -0.5803 Soluble
91 I L 0.0000 Buried
92 S L -1.1978 Soluble
93 S L -1.6326 Soluble
94 L L 0.0000 Buried
95 E L -2.0419 Soluble
96 P L -1.6282 Soluble
97 E L -2.3506 Soluble
98 D L 0.0000 Buried
99 F L -0.6499 Soluble
100 A L 0.0000 Buried
101 V L -0.2582 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.2544 Aggregation-prone
108 G L 0.0114 Aggregation-prone
109 S L -0.5202 Soluble
114 T L -0.5412 Soluble
115 P L -0.6127 Soluble
116 L L 0.0063 Aggregation-prone
117 T L 0.0698 Aggregation-prone
118 F L 0.3066 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6644 Soluble
121 G L -0.6056 Soluble
122 T L 0.0000 Buried
123 K L -0.3305 Soluble
124 A L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.3852 Soluble
127 K L -1.0589 Soluble
128 R L -0.6655 Soluble
129 T L 0.3277 Aggregation-prone
130 V L 1.2043 Aggregation-prone
131 A L 0.4690 Aggregation-prone
132 A L 0.0125 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1789 Soluble
135 V L 0.0000 Buried
136 F L 0.1230 Aggregation-prone
137 I L 0.1187 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5769 Soluble
140 P L -0.7822 Soluble
141 S L -1.8368 Soluble
142 D L -3.0910 Soluble
143 E L -3.1924 Soluble
144 Q L 0.0000 Buried
145 L L -2.2525 Soluble
146 K L -2.9183 Soluble
147 S L -1.8278 Soluble
148 G L -1.3556 Soluble
149 T L -0.9138 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 -0.8328 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.0912 Soluble
162 R L -1.9355 Soluble
163 E L -2.8032 Soluble
164 A L -2.0348 Soluble
165 K L -2.0902 Soluble
166 V L -1.0456 Soluble
167 Q L -0.5745 Soluble
168 W L 0.0000 Buried
169 K L -0.6032 Soluble
170 V L 0.0000 Buried
171 D L -2.1412 Soluble
172 N L -1.6235 Soluble
173 A L -0.3301 Soluble
174 L L 0.7551 Aggregation-prone
175 Q L -0.0959 Soluble
176 S L -0.3944 Soluble
177 G L -0.9175 Soluble
178 N L -0.8460 Soluble
179 S L -1.1486 Soluble
180 Q L -1.4936 Soluble
181 E L -1.8889 Soluble
182 S L -0.6149 Soluble
183 V L -0.2585 Soluble
184 T L -0.8288 Soluble
185 E L -2.0892 Soluble
186 Q L -1.7779 Soluble
187 D L -2.1939 Soluble
188 S L -1.8403 Soluble
189 K L -2.3100 Soluble
190 D L -1.7444 Soluble
191 S L -1.6821 Soluble
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 -0.7181 Soluble
199 L L 0.0000 Buried
200 T L -0.4517 Soluble
201 L L -0.7321 Soluble
202 S L -1.2114 Soluble
203 K L -2.3349 Soluble
204 A L -2.0860 Soluble
205 D L -2.7976 Soluble
206 Y L 0.0000 Buried
207 E L -3.8749 Soluble
208 K L -3.8743 Soluble
209 H L -3.3711 Soluble
210 K L -3.1904 Soluble
211 V L -1.3921 Soluble
212 Y L 0.0000 Buried
213 A L -0.5987 Soluble
214 C L 0.0000 Buried
215 E L -0.8902 Soluble
216 V L 0.0000 Buried
217 T L -1.1951 Soluble
218 H L 0.0000 Buried
219 Q L -1.3197 Soluble
220 G L -0.3291 Soluble
221 L L -0.2181 Soluble
222 S L -0.3926 Soluble
223 S L -0.3736 Soluble
224 P L -0.4946 Soluble
225 V L 0.1005 Aggregation-prone
226 T L -0.3653 Soluble
227 K L -0.5000 Soluble
228 S L -0.4893 Soluble
229 F L -0.6735 Soluble
230 N L -1.6303 Soluble
231 R L -2.1370 Soluble
232 G L -1.5536 Soluble
233 A L -0.7479 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
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 -0.5813 4.8446 CSV PDB
4.5 -0.6227 4.8411 CSV PDB
5.0 -0.6703 4.8312 CSV PDB
5.5 -0.7143 4.8067 CSV PDB
6.0 -0.7436 4.7609 CSV PDB
6.5 -0.7502 4.6969 CSV PDB
7.0 -0.7349 4.6233 CSV PDB
7.5 -0.7055 4.5459 CSV PDB
8.0 -0.6684 4.4673 CSV PDB
8.5 -0.6254 4.3885 CSV PDB
9.0 -0.5766 4.3098 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH