Necitumumab / 3b2u

A4DAB177_3b2u_Q_R | Source PDB: 3b2u | Chains: Q, R | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6423
Max Score
1.8125
Min Score
-3.7463
Total Score
-276.19
Score CDR
-0.0198
Score non-CDR
-0.7205

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) Q (Heavy), R (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 -3.7463
Maximum Score 1.8125
Average Score -0.6423
Total Score -276.1877

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

Index Residue Chain A4D Score Classification
1 Q Q -1.4048 Soluble
2 V Q -0.6947 Soluble
3 Q Q -1.5520 Soluble
4 L Q 0.0000 Buried
5 Q Q -1.6942 Soluble
6 E Q 0.0000 Buried
7 S Q -0.7516 Soluble
8 G Q -0.5528 Soluble
9 P Q -0.3201 Soluble
11 G Q 0.0575 Aggregation-prone
12 L Q 0.3420 Aggregation-prone
13 V Q 0.0000 Buried
14 K Q -1.3019 Soluble
15 P Q -1.0538 Soluble
16 S Q -1.2101 Soluble
17 Q Q -1.6074 Soluble
18 T Q -1.4224 Soluble
19 L Q 0.0000 Buried
20 S Q -0.9275 Soluble
21 L Q 0.0000 Buried
22 T Q -0.6775 Soluble
23 C Q 0.0000 Buried
24 T Q -1.0835 Soluble
25 V Q 0.0000 Buried
26 S Q -1.0401 Soluble
27 G Q -1.0154 Soluble
28 G Q -0.9682 Soluble
29 S Q -0.8520 Soluble
30 I Q 0.0000 Buried
31 S Q -0.1524 Soluble
34 S Q -0.1929 Soluble
35 G Q 0.1058 Aggregation-prone
36 D Q -0.1972 Soluble
37 Y Q 0.5536 Aggregation-prone
38 Y Q 0.7615 Aggregation-prone
39 W Q 0.0000 Buried
40 S Q 0.0000 Buried
41 W Q 0.0000 Buried
42 I Q 0.0000 Buried
43 R Q -0.4067 Soluble
44 Q Q -0.7251 Soluble
45 P Q -0.7729 Soluble
46 P Q -0.8717 Soluble
47 G Q -1.5025 Soluble
48 K Q -2.2723 Soluble
49 G Q -1.3959 Soluble
50 L Q 0.0000 Buried
51 E Q -0.7892 Soluble
52 W Q 0.0000 Buried
53 I Q 0.0000 Buried
54 G Q 0.0000 Buried
55 Y Q 0.3264 Aggregation-prone
56 I Q 0.0000 Buried
57 Y Q 0.6400 Aggregation-prone
58 Y Q 1.0860 Aggregation-prone
59 S Q 0.1764 Aggregation-prone
63 G Q -0.0976 Soluble
64 S Q -0.2048 Soluble
65 T Q -0.0833 Soluble
66 D Q -0.2389 Soluble
67 Y Q -0.1502 Soluble
68 N Q 0.0000 Buried
69 P Q -1.1017 Soluble
70 S Q -1.0575 Soluble
71 L Q 0.0000 Buried
72 K Q -1.9767 Soluble
74 S Q -1.2946 Soluble
75 R Q -1.4596 Soluble
76 V Q 0.0000 Buried
77 T Q -0.6986 Soluble
78 M Q 0.0000 Buried
79 S Q -0.2625 Soluble
80 V Q -0.1524 Soluble
81 D Q -1.5089 Soluble
82 T Q -1.1115 Soluble
83 S Q -1.4724 Soluble
84 K Q -2.2813 Soluble
85 N Q -1.6533 Soluble
86 Q Q -1.4038 Soluble
87 F Q 0.0000 Buried
88 S Q -0.5820 Soluble
89 L Q 0.0000 Buried
90 K Q -1.6722 Soluble
91 V Q 0.0000 Buried
92 N Q -1.5900 Soluble
93 S Q -1.1383 Soluble
94 V Q 0.0000 Buried
95 T Q -0.5467 Soluble
96 A Q -0.1394 Soluble
97 A Q 0.0476 Aggregation-prone
98 D Q 0.0000 Buried
99 T Q 0.2201 Aggregation-prone
100 A Q 0.0000 Buried
101 V Q 0.4636 Aggregation-prone
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 R Q 0.0000 Buried
107 V Q 0.6604 Aggregation-prone
108 S Q 0.0000 Buried
109 I Q 1.2299 Aggregation-prone
110 F Q 1.8125 Aggregation-prone
111 G Q 0.6644 Aggregation-prone
112 V Q 0.3454 Aggregation-prone
113 G Q 0.7776 Aggregation-prone
114 T Q 0.0000 Buried
115 F Q 0.0000 Buried
116 D Q -0.2385 Soluble
117 Y Q 0.1099 Aggregation-prone
118 W Q -0.5925 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.8353 Soluble
121 G Q -0.8140 Soluble
122 T Q -0.0227 Soluble
123 L Q 1.0153 Aggregation-prone
124 V Q 0.0000 Buried
125 T Q 0.1456 Aggregation-prone
126 V Q 0.0000 Buried
127 S Q -0.4176 Soluble
128 S Q -0.5925 Soluble
129 A Q -0.4317 Soluble
130 S Q -0.5134 Soluble
131 T Q -0.7254 Soluble
132 K Q -1.2178 Soluble
133 G Q -1.4523 Soluble
134 P Q 0.0000 Buried
135 S Q -0.4383 Soluble
136 V Q 0.0000 Buried
137 F Q 0.0000 Buried
138 P Q -1.3713 Soluble
139 L Q 0.0000 Buried
140 A Q -1.1285 Soluble
141 P Q 0.0000 Buried
142 S Q -0.8257 Soluble
143 S Q -0.3731 Soluble
144 G Q -0.6570 Soluble
145 T Q -0.4449 Soluble
146 A Q 0.0000 Buried
147 A Q 0.0000 Buried
148 L Q 0.0000 Buried
149 G Q 0.0000 Buried
150 C Q 0.0000 Buried
151 L Q 0.0000 Buried
152 V Q 0.0000 Buried
153 K Q -0.4541 Soluble
154 D Q -0.6376 Soluble
155 Y Q 0.0000 Buried
156 F Q 0.0000 Buried
157 P Q -0.9049 Soluble
158 E Q -1.2632 Soluble
159 P Q -1.2741 Soluble
160 V Q -1.1188 Soluble
161 T Q -0.8408 Soluble
162 V Q -0.3234 Soluble
163 S Q -0.4537 Soluble
164 W Q 0.0000 Buried
165 N Q -0.8689 Soluble
166 S Q -0.6869 Soluble
167 G Q -0.5896 Soluble
168 A Q -0.2801 Soluble
169 L Q -0.0322 Soluble
170 T Q -0.1915 Soluble
171 S Q -0.2027 Soluble
172 G Q -0.2376 Soluble
173 V Q 0.1648 Aggregation-prone
174 H Q -0.3018 Soluble
175 T Q 0.0136 Aggregation-prone
176 F Q 0.0000 Buried
177 P Q -0.5271 Soluble
178 A Q -0.0176 Soluble
179 V Q 0.3373 Aggregation-prone
180 L Q 1.1243 Aggregation-prone
181 Q Q 0.1433 Aggregation-prone
182 S Q -0.1030 Soluble
183 S Q -0.2425 Soluble
184 G Q -0.0926 Soluble
185 L Q -0.0774 Soluble
186 Y Q 0.0000 Buried
187 S Q 0.0196 Aggregation-prone
188 L Q 0.0000 Buried
189 S Q -0.0693 Soluble
190 S Q 0.0000 Buried
191 V Q 0.0000 Buried
192 V Q 0.0000 Buried
193 T Q -0.1273 Soluble
194 V Q 0.0000 Buried
195 P Q -0.5271 Soluble
196 S Q -0.6154 Soluble
197 S Q -0.5997 Soluble
198 S Q 0.0000 Buried
199 L Q -0.8603 Soluble
200 G Q -0.9999 Soluble
201 T Q -0.8296 Soluble
202 Q Q -1.4562 Soluble
203 T Q -1.2372 Soluble
204 Y Q 0.0000 Buried
205 I Q -1.3801 Soluble
206 C Q 0.0000 Buried
207 N Q 0.0000 Buried
208 V Q 0.0000 Buried
209 N Q -2.4603 Soluble
210 H Q 0.0000 Buried
211 K Q -2.7428 Soluble
212 P Q -1.6808 Soluble
213 S Q -1.8351 Soluble
214 N Q -2.3596 Soluble
215 T Q -2.1641 Soluble
216 K Q -2.9229 Soluble
217 V Q -1.9179 Soluble
218 D Q -2.7671 Soluble
219 K Q -2.4328 Soluble
220 K Q -2.6345 Soluble
221 V Q 0.0000 Buried
222 E Q -3.0622 Soluble
223 P Q -2.0575 Soluble
224 K Q -2.6543 Soluble
1 E R -1.4832 Soluble
2 I R -0.2723 Soluble
3 V R 0.8398 Aggregation-prone
4 M R 0.0000 Buried
5 T R -0.4433 Soluble
6 Q R 0.0000 Buried
7 S R -0.6432 Soluble
8 P R -0.3542 Soluble
9 A R -0.3443 Soluble
10 T R -0.3231 Soluble
11 L R -0.1397 Soluble
12 S R -0.3622 Soluble
13 L R -0.5495 Soluble
14 S R -0.9365 Soluble
15 P R -1.4077 Soluble
16 G R -1.5094 Soluble
17 E R -1.8673 Soluble
18 R R -2.4108 Soluble
19 A R 0.0000 Buried
20 T R -0.5050 Soluble
21 L R 0.0000 Buried
22 S R -0.9499 Soluble
23 C R 0.0000 Buried
24 R R -2.5536 Soluble
25 A R -1.3453 Soluble
26 S R -1.0288 Soluble
27 Q R -1.5565 Soluble
28 S R -1.3326 Soluble
29 V R 0.0000 Buried
36 S R -0.5728 Soluble
37 S R -0.2202 Soluble
38 Y R 0.7760 Aggregation-prone
39 L R 0.0000 Buried
40 A R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R 0.0000 Buried
44 Q R -1.2494 Soluble
45 K R -1.7063 Soluble
46 P R -1.2379 Soluble
47 G R -1.5193 Soluble
48 Q R -2.2223 Soluble
49 A R -1.4740 Soluble
50 P R 0.0000 Buried
51 R R -1.9257 Soluble
52 L R 0.0000 Buried
53 L R 0.0000 Buried
54 I R 0.0000 Buried
55 Y R -0.3795 Soluble
56 D R -0.6112 Soluble
57 A R 0.0000 Buried
65 S R -1.0392 Soluble
66 N R -1.5043 Soluble
67 R R -1.5685 Soluble
68 A R -0.9751 Soluble
69 T R -0.6331 Soluble
70 G R -0.6674 Soluble
71 I R 0.0000 Buried
72 P R -0.4458 Soluble
74 A R -0.3720 Soluble
75 R R -0.7058 Soluble
76 F R 0.0000 Buried
77 S R -0.6779 Soluble
78 G R -0.7257 Soluble
79 S R -0.9392 Soluble
80 G R -1.3903 Soluble
83 S R -0.9808 Soluble
84 G R -1.2597 Soluble
85 T R -2.0888 Soluble
86 D R -2.7507 Soluble
87 F R 0.0000 Buried
88 T R -0.8858 Soluble
89 L R 0.0000 Buried
90 T R -0.5725 Soluble
91 I R 0.0000 Buried
92 S R -1.2042 Soluble
93 S R -1.5748 Soluble
94 L R 0.0000 Buried
95 E R -2.0823 Soluble
96 P R -1.5608 Soluble
97 E R -2.2668 Soluble
98 D R 0.0000 Buried
99 F R -0.6821 Soluble
100 A R 0.0000 Buried
101 V R -0.3120 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 H R 0.0000 Buried
106 Q R 0.0000 Buried
107 Y R 0.2552 Aggregation-prone
108 G R -0.0994 Soluble
109 S R -0.5124 Soluble
114 T R -0.4930 Soluble
115 P R -0.5775 Soluble
116 L R 0.0397 Aggregation-prone
117 T R 0.0747 Aggregation-prone
118 F R 0.3345 Aggregation-prone
119 G R 0.0000 Buried
120 G R -0.6517 Soluble
121 G R -0.6938 Soluble
122 T R 0.0000 Buried
123 K R -0.6213 Soluble
124 A R 0.0000 Buried
125 E R -0.4536 Soluble
126 I R -0.2339 Soluble
127 K R -0.7768 Soluble
128 R R -0.6186 Soluble
129 T R 0.2685 Aggregation-prone
130 V R 1.2701 Aggregation-prone
131 A R 0.3135 Aggregation-prone
132 A R 0.0668 Aggregation-prone
133 P R 0.0000 Buried
134 S R -0.1116 Soluble
135 V R 0.0000 Buried
136 F R 0.0710 Aggregation-prone
137 I R 0.0873 Aggregation-prone
138 F R 0.0000 Buried
139 P R -0.6094 Soluble
140 P R -0.8291 Soluble
141 S R -1.9721 Soluble
142 D R -3.2173 Soluble
143 E R -3.1923 Soluble
144 Q R 0.0000 Buried
145 L R -2.2885 Soluble
146 K R -2.7856 Soluble
147 S R -1.7291 Soluble
148 G R -1.2680 Soluble
149 T R -0.8531 Soluble
150 A R 0.0000 Buried
151 S R 0.0000 Buried
152 V R 0.0000 Buried
153 V R 0.0000 Buried
154 C R 0.0000 Buried
155 L R 0.0000 Buried
156 L R 0.0000 Buried
157 N R 0.0000 Buried
158 N R -0.8083 Soluble
159 F R 0.0000 Buried
160 Y R 0.0000 Buried
161 P R -1.4639 Soluble
162 R R -2.9164 Soluble
163 E R -3.1494 Soluble
164 A R -2.1235 Soluble
165 K R -1.7870 Soluble
166 V R -1.0529 Soluble
167 Q R -0.7379 Soluble
168 W R 0.0000 Buried
169 K R -0.5259 Soluble
170 V R 0.0000 Buried
171 D R -1.3037 Soluble
172 N R -1.1428 Soluble
173 A R -0.1467 Soluble
174 L R 0.7136 Aggregation-prone
175 Q R -0.3734 Soluble
176 S R -0.7137 Soluble
177 G R -1.3426 Soluble
178 N R -1.6977 Soluble
179 S R -1.7330 Soluble
180 Q R -1.9114 Soluble
181 E R -2.1197 Soluble
182 S R -0.8726 Soluble
183 V R -0.6938 Soluble
184 T R -1.1204 Soluble
185 E R -2.2322 Soluble
186 Q R -1.8316 Soluble
187 D R -1.8758 Soluble
188 S R -1.6466 Soluble
189 K R -2.1665 Soluble
190 D R -1.5736 Soluble
191 S R -1.4626 Soluble
192 T R 0.0000 Buried
193 Y R -1.3383 Soluble
194 S R 0.0000 Buried
195 L R 0.0000 Buried
196 S R 0.0000 Buried
197 S R 0.0000 Buried
198 T R -0.9233 Soluble
199 L R 0.0000 Buried
200 T R -0.6934 Soluble
201 L R -0.8497 Soluble
202 S R -1.0741 Soluble
203 K R -2.0211 Soluble
204 A R -1.9519 Soluble
205 D R -2.5907 Soluble
206 Y R 0.0000 Buried
207 E R -3.7463 Soluble
208 K R -3.6472 Soluble
209 H R -3.0448 Soluble
210 K R -2.9410 Soluble
211 V R -1.2234 Soluble
212 Y R 0.0000 Buried
213 A R -0.6411 Soluble
214 C R 0.0000 Buried
215 E R -0.9630 Soluble
216 V R 0.0000 Buried
217 T R -1.0731 Soluble
218 H R 0.0000 Buried
219 Q R -1.2653 Soluble
220 G R -0.2471 Soluble
221 L R -0.0666 Soluble
222 S R -0.4363 Soluble
223 S R -0.3822 Soluble
224 P R -0.4756 Soluble
225 V R 0.0157 Aggregation-prone
226 T R -0.5142 Soluble
227 K R -0.8005 Soluble
228 S R -0.6621 Soluble
229 F R -0.7894 Soluble
230 N R -1.7397 Soluble
231 R R -2.3577 Soluble
232 G R -1.4830 Soluble
233 A R -0.8045 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 -0.6281 4.7459 CSV PDB
4.5 -0.6671 4.6927 CSV PDB
5.0 -0.7129 4.6288 CSV PDB
5.5 -0.7559 4.5603 CSV PDB
6.0 -0.7852 4.4903 CSV PDB
6.5 -0.7926 4.4199 CSV PDB
7.0 -0.7783 4.3495 CSV PDB
7.5 -0.7495 4.2797 CSV PDB
8.0 -0.7126 4.2119 CSV PDB
8.5 -0.67 4.1499 CSV PDB
9.0 -0.6218 4.1005 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH