Necitumumab / 3b2u

A4DAB177_3b2u_C_D | Source PDB: 3b2u | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6133
Max Score
1.8005
Min Score
-3.4713
Total Score
-261.27
Score CDR
-0.0336
Score non-CDR
-0.6869

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) C (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 -3.4713
Maximum Score 1.8005
Average Score -0.6133
Total Score -261.2662

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

Index Residue Chain A4D Score Classification
1 Q C -1.4897 Soluble
2 V C -0.8425 Soluble
3 Q C -1.6966 Soluble
4 L C 0.0000 Buried
5 Q C -1.6661 Soluble
6 E C 0.0000 Buried
7 S C -0.7066 Soluble
8 G C -0.6274 Soluble
9 P C -0.4077 Soluble
11 G C -0.0518 Soluble
12 L C 0.2354 Aggregation-prone
13 V C 0.0000 Buried
14 K C -1.3126 Soluble
15 P C -1.2433 Soluble
16 S C -1.3499 Soluble
17 Q C -1.9001 Soluble
18 T C -1.6667 Soluble
19 L C 0.0000 Buried
20 S C -1.0553 Soluble
21 L C 0.0000 Buried
22 T C -0.6544 Soluble
23 C C 0.0000 Buried
24 T C -1.1664 Soluble
25 V C 0.0000 Buried
26 S C -1.2264 Soluble
27 G C -1.1913 Soluble
28 G C -1.0516 Soluble
29 S C -0.8845 Soluble
30 I C 0.0000 Buried
31 S C -0.0808 Soluble
34 S C -0.2022 Soluble
35 G C 0.0761 Aggregation-prone
36 D C -0.2005 Soluble
37 Y C 0.5535 Aggregation-prone
38 Y C 0.7024 Aggregation-prone
39 W C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 I C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6633 Soluble
45 P C -0.7968 Soluble
46 P C -0.9086 Soluble
47 G C -1.4712 Soluble
48 K C -2.2575 Soluble
49 G C -1.3639 Soluble
50 L C 0.0000 Buried
51 E C -0.7192 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 Y C 0.3162 Aggregation-prone
56 I C 0.0000 Buried
57 Y C 0.6578 Aggregation-prone
58 Y C 1.1161 Aggregation-prone
59 S C 0.1656 Aggregation-prone
63 G C -0.1044 Soluble
64 S C -0.2014 Soluble
65 T C -0.0720 Soluble
66 D C -0.2019 Soluble
67 Y C -0.0984 Soluble
68 N C 0.0000 Buried
69 P C -1.1060 Soluble
70 S C -1.0534 Soluble
71 L C 0.0000 Buried
72 K C -1.9672 Soluble
74 S C -1.2957 Soluble
75 R C -1.5047 Soluble
76 V C 0.0000 Buried
77 T C -0.8129 Soluble
78 M C 0.0000 Buried
79 S C -0.1112 Soluble
80 V C 0.1877 Aggregation-prone
81 D C -1.0543 Soluble
82 T C -0.8935 Soluble
83 S C -1.3090 Soluble
84 K C -2.1352 Soluble
85 N C -1.5222 Soluble
86 Q C -1.1619 Soluble
87 F C 0.0000 Buried
88 S C -0.4620 Soluble
89 L C 0.0000 Buried
90 K C -1.9304 Soluble
91 V C 0.0000 Buried
92 N C -1.8075 Soluble
93 S C -1.2607 Soluble
94 V C 0.0000 Buried
95 T C -0.5895 Soluble
96 A C -0.1207 Soluble
97 A C 0.0504 Aggregation-prone
98 D C 0.0000 Buried
99 T C 0.2095 Aggregation-prone
100 A C 0.0000 Buried
101 V C 0.3830 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.2527 Aggregation-prone
107 V C 0.6065 Aggregation-prone
108 S C 0.0000 Buried
109 I C 1.2504 Aggregation-prone
110 F C 1.8005 Aggregation-prone
111 G C 0.6423 Aggregation-prone
112 V C 0.2950 Aggregation-prone
113 G C 0.7513 Aggregation-prone
114 T C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.0775 Soluble
117 Y C 0.2768 Aggregation-prone
118 W C -0.5121 Soluble
119 G C 0.0000 Buried
120 Q C -1.8142 Soluble
121 G C 0.0000 Buried
122 T C -0.0674 Soluble
123 L C 0.8599 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0699 Aggregation-prone
126 V C 0.0000 Buried
127 S C -0.3679 Soluble
128 S C -0.5355 Soluble
129 A C -0.4801 Soluble
130 S C -0.5761 Soluble
131 T C -0.8776 Soluble
132 K C -1.3376 Soluble
133 G C -1.3281 Soluble
134 P C -0.6580 Soluble
135 S C -0.3548 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1609 Soluble
139 L C 0.0000 Buried
140 A C -0.8501 Soluble
141 P C -0.5315 Soluble
142 T C -0.2897 Soluble
143 A C -0.1238 Soluble
144 A C 0.0000 Buried
145 L C 0.0000 Buried
146 G C 0.0000 Buried
147 C C 0.0000 Buried
148 L C 0.0000 Buried
149 V C 0.0000 Buried
150 K C -0.3727 Soluble
151 D C -0.5171 Soluble
152 Y C 0.0000 Buried
153 F C 0.0000 Buried
154 P C -1.0187 Soluble
155 E C -1.2537 Soluble
156 P C -1.0465 Soluble
157 V C -0.6412 Soluble
158 T C -0.4288 Soluble
159 V C -0.4247 Soluble
160 S C -0.4636 Soluble
161 W C 0.0000 Buried
162 N C -1.1228 Soluble
163 S C -0.5887 Soluble
164 G C -0.6580 Soluble
165 A C -0.3394 Soluble
166 L C -0.0644 Soluble
167 T C -0.2020 Soluble
168 S C -0.1960 Soluble
169 G C -0.3122 Soluble
170 V C 0.1405 Aggregation-prone
171 H C -0.3243 Soluble
172 T C 0.0198 Aggregation-prone
173 F C 0.0000 Buried
174 P C -0.4719 Soluble
175 A C 0.0023 Aggregation-prone
176 V C 0.4345 Aggregation-prone
177 L C 1.1962 Aggregation-prone
178 Q C 0.3407 Aggregation-prone
179 S C -0.0366 Soluble
180 S C -0.1887 Soluble
181 G C -0.0035 Soluble
182 L C -0.0225 Soluble
183 Y C 0.0000 Buried
184 S C 0.0000 Buried
185 L C 0.0000 Buried
186 S C 0.0000 Buried
187 S C 0.0000 Buried
188 V C 0.0000 Buried
189 V C 0.0000 Buried
190 T C -0.1601 Soluble
191 V C 0.0000 Buried
192 P C -0.3950 Soluble
193 S C -0.4483 Soluble
194 S C -0.4045 Soluble
195 S C -0.5600 Soluble
196 L C -0.7033 Soluble
197 G C -0.9883 Soluble
198 T C -0.8178 Soluble
199 Q C -1.2876 Soluble
200 T C -1.2384 Soluble
201 Y C 0.0000 Buried
202 I C -1.3325 Soluble
203 C C 0.0000 Buried
204 N C -1.5372 Soluble
205 V C 0.0000 Buried
206 N C -1.8617 Soluble
207 H C 0.0000 Buried
208 K C -2.7081 Soluble
209 P C -1.7039 Soluble
210 S C -1.8217 Soluble
211 N C -2.5044 Soluble
212 T C -1.9988 Soluble
213 K C -2.5551 Soluble
214 V C -1.4327 Soluble
215 D C -2.5113 Soluble
216 K C -2.0785 Soluble
217 K C -2.5080 Soluble
218 V C 0.0000 Buried
219 E C -2.3355 Soluble
220 P C -1.1649 Soluble
1 E D -1.4795 Soluble
2 I D -0.2584 Soluble
3 V D 0.8036 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.5837 Soluble
6 Q D 0.0000 Buried
7 S D -0.6451 Soluble
8 P D -0.3871 Soluble
9 A D -0.3994 Soluble
10 T D -0.3640 Soluble
11 L D -0.2128 Soluble
12 S D -0.4542 Soluble
13 L D -0.7416 Soluble
14 S D -1.1693 Soluble
15 P D -1.5578 Soluble
16 G D -1.7129 Soluble
17 E D -2.2402 Soluble
18 R D -2.5132 Soluble
19 A D 0.0000 Buried
20 T D -0.6171 Soluble
21 L D 0.0000 Buried
22 S D -0.8404 Soluble
23 C D 0.0000 Buried
24 R D -2.4179 Soluble
25 A D 0.0000 Buried
26 S D -0.9884 Soluble
27 Q D -1.6702 Soluble
28 S D -1.2722 Soluble
29 V D 0.0000 Buried
36 S D -0.5985 Soluble
37 S D -0.1976 Soluble
38 Y D 0.4985 Aggregation-prone
39 L D 0.0000 Buried
40 A 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 -1.1054 Soluble
45 K D -1.4613 Soluble
46 P D -1.2981 Soluble
47 G D -1.4545 Soluble
48 Q D -2.1157 Soluble
49 A D -1.3318 Soluble
50 P D 0.0000 Buried
51 R D -1.3252 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.6124 Soluble
56 D D -1.0155 Soluble
57 A D 0.0000 Buried
65 S D -1.3260 Soluble
66 N D -1.6860 Soluble
67 R D -1.6633 Soluble
68 A D -0.8101 Soluble
69 T D -0.6235 Soluble
70 G D -0.6624 Soluble
71 I D 0.0000 Buried
72 P D -0.4951 Soluble
74 A D -0.4106 Soluble
75 R D -0.7670 Soluble
76 F D 0.0000 Buried
77 S D -0.7365 Soluble
78 G D -0.7920 Soluble
79 S D -0.9439 Soluble
80 G D -1.2478 Soluble
83 S D -1.0730 Soluble
84 G D -1.1033 Soluble
85 T D -1.8043 Soluble
86 D D -2.3269 Soluble
87 F D 0.0000 Buried
88 T D -0.8119 Soluble
89 L D 0.0000 Buried
90 T D -0.6175 Soluble
91 I D 0.0000 Buried
92 S D -1.3353 Soluble
93 S D -1.6679 Soluble
94 L D 0.0000 Buried
95 E D -1.9850 Soluble
96 P D -1.5772 Soluble
97 E D -2.2491 Soluble
98 D D 0.0000 Buried
99 F D -0.6087 Soluble
100 A D 0.0000 Buried
101 V D -0.3079 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 H D 0.0000 Buried
106 Q D 0.0000 Buried
107 Y D 0.2205 Aggregation-prone
108 G D -0.0161 Soluble
109 S D -0.3710 Soluble
114 T D -0.4536 Soluble
115 P D -0.5433 Soluble
116 L D 0.0343 Aggregation-prone
117 T D 0.0151 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.7501 Soluble
121 G D -0.7461 Soluble
122 T D 0.0000 Buried
123 K D -0.8119 Soluble
124 A D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.3502 Soluble
127 K D -1.1976 Soluble
128 R D -0.8870 Soluble
129 T D -0.0262 Soluble
130 V D 0.5841 Aggregation-prone
131 A D 0.2500 Aggregation-prone
132 A D -0.0648 Soluble
133 P D 0.0000 Buried
134 S D -0.1199 Soluble
135 V D 0.0000 Buried
136 F D 0.2483 Aggregation-prone
137 I D 0.2095 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5607 Soluble
140 P D -0.8472 Soluble
141 S D -1.7103 Soluble
142 D D -3.0425 Soluble
143 E D -3.2123 Soluble
144 Q D 0.0000 Buried
145 L D -2.2356 Soluble
146 K D -2.7992 Soluble
147 S D -1.7244 Soluble
148 G D -1.1716 Soluble
149 T D -0.9219 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 -0.7868 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.5788 Soluble
162 R D -2.4284 Soluble
163 E D -3.0706 Soluble
164 A D -2.0243 Soluble
165 K D -1.6719 Soluble
166 V D -0.8975 Soluble
167 Q D -0.7955 Soluble
168 W D 0.0000 Buried
169 K D -0.5367 Soluble
170 V D 0.0000 Buried
171 D D -1.4797 Soluble
172 N D -1.3207 Soluble
173 A D -0.2190 Soluble
174 L D 0.6318 Aggregation-prone
175 Q D -0.3467 Soluble
176 S D -0.6024 Soluble
177 G D -1.0063 Soluble
178 N D -1.0401 Soluble
179 S D -1.2372 Soluble
180 Q D -1.2486 Soluble
181 E D -1.8432 Soluble
182 S D -0.7453 Soluble
183 V D -0.6817 Soluble
184 T D -0.9643 Soluble
185 E D -2.0638 Soluble
186 Q D -1.8361 Soluble
187 D D -2.0215 Soluble
188 S D -1.7600 Soluble
189 K D -2.2442 Soluble
190 D D -1.7960 Soluble
191 S D -1.6493 Soluble
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 -0.6694 Soluble
199 L D 0.0000 Buried
200 T D -0.3983 Soluble
201 L D -0.5702 Soluble
202 S D -0.8995 Soluble
203 K D -1.8327 Soluble
204 A D -1.7210 Soluble
205 D D -2.1248 Soluble
206 Y D 0.0000 Buried
207 E D -3.4075 Soluble
208 K D -3.4713 Soluble
209 H D -2.8540 Soluble
210 K D -2.9274 Soluble
211 V D -1.0463 Soluble
212 Y D 0.0000 Buried
213 A D -0.5692 Soluble
214 C D 0.0000 Buried
215 E D -0.9255 Soluble
216 V D 0.0000 Buried
217 T D -1.0394 Soluble
218 H D 0.0000 Buried
219 Q D -1.2956 Soluble
220 G D -0.3204 Soluble
221 L D -0.1656 Soluble
222 S D -0.4369 Soluble
223 S D -0.4112 Soluble
224 P D -0.4384 Soluble
225 V D -0.0498 Soluble
226 T D -0.5080 Soluble
227 K D -0.7694 Soluble
228 S D -0.5696 Soluble
229 F D -0.6283 Soluble
230 N D -1.5036 Soluble
231 R D -2.2045 Soluble
232 G D -1.3946 Soluble
233 A D -0.7393 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 -0.5856 4.8361 CSV PDB
4.5 -0.6214 4.8334 CSV PDB
5.0 -0.6637 4.8254 CSV PDB
5.5 -0.7037 4.8051 CSV PDB
6.0 -0.7312 4.7652 CSV PDB
6.5 -0.7378 4.707 CSV PDB
7.0 -0.723 4.6385 CSV PDB
7.5 -0.6937 4.5658 CSV PDB
8.0 -0.6565 4.4918 CSV PDB
8.5 -0.6139 4.4174 CSV PDB
9.0 -0.5666 4.343 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH