Necitumumab / 3b2u

A4DAB177_3b2u_F_G | Source PDB: 3b2u | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6515
Max Score
1.8738
Min Score
-3.8044
Total Score
-278.83
Score CDR
-0.007
Score non-CDR
-0.7329

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) F (Heavy), G (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 -3.8044
Maximum Score 1.8738
Average Score -0.6515
Total Score -278.8325

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

Index Residue Chain A4D Score Classification
1 Q F -1.5358 Soluble
2 V F -1.0740 Soluble
3 Q F -1.7743 Soluble
4 L F 0.0000 Buried
5 Q F -1.5508 Soluble
6 E F 0.0000 Buried
7 S F -0.6704 Soluble
8 G F -0.4115 Soluble
9 P F -0.2565 Soluble
11 G F 0.1455 Aggregation-prone
12 L F 0.0835 Aggregation-prone
13 V F 0.0000 Buried
14 K F -2.0984 Soluble
15 P F -1.5332 Soluble
16 S F -1.5747 Soluble
17 Q F -2.0925 Soluble
18 T F -1.7583 Soluble
19 L F 0.0000 Buried
20 S F -0.8872 Soluble
21 L F 0.0000 Buried
22 T F -0.5325 Soluble
23 C F 0.0000 Buried
24 T F -1.1184 Soluble
25 V F 0.0000 Buried
26 S F -1.4346 Soluble
27 G F -1.3173 Soluble
28 G F -1.1671 Soluble
29 S F -0.6581 Soluble
30 I F 0.0000 Buried
31 S F -0.0748 Soluble
34 S F -0.1658 Soluble
35 G F 0.1855 Aggregation-prone
36 D F -0.0491 Soluble
37 Y F 0.5971 Aggregation-prone
38 Y F 0.7470 Aggregation-prone
39 W F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 I F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.6512 Soluble
45 P F -0.7466 Soluble
46 P F -0.8840 Soluble
47 G F -1.4803 Soluble
48 K F -2.2626 Soluble
49 G F -1.4200 Soluble
50 L F 0.0000 Buried
51 E F -0.7519 Soluble
52 W F 0.0000 Buried
53 I F 0.0000 Buried
54 G F 0.0000 Buried
55 Y F 0.2970 Aggregation-prone
56 I F 0.0000 Buried
57 Y F 0.6374 Aggregation-prone
58 Y F 1.0994 Aggregation-prone
59 S F 0.1680 Aggregation-prone
63 G F -0.0854 Soluble
64 S F -0.2412 Soluble
65 T F -0.1115 Soluble
66 D F -0.3039 Soluble
67 Y F -0.2619 Soluble
68 N F -0.7923 Soluble
69 P F -1.1864 Soluble
70 S F -1.0945 Soluble
71 L F 0.0000 Buried
72 K F -2.0266 Soluble
74 S F -1.4154 Soluble
75 R F -1.6759 Soluble
76 V F 0.0000 Buried
77 T F -0.7604 Soluble
78 M F 0.0000 Buried
79 S F -0.0871 Soluble
80 V F 0.0997 Aggregation-prone
81 D F -1.0807 Soluble
82 T F -0.8913 Soluble
83 S F -1.2989 Soluble
84 K F -2.1260 Soluble
85 N F -1.4953 Soluble
86 Q F -1.1421 Soluble
87 F F 0.0000 Buried
88 S F -0.3790 Soluble
89 L F 0.0000 Buried
90 K F -1.6258 Soluble
91 V F 0.0000 Buried
92 N F -2.0423 Soluble
93 S F -1.4741 Soluble
94 V F 0.0000 Buried
95 T F -0.7225 Soluble
96 A F -0.2187 Soluble
97 A F 0.0575 Aggregation-prone
98 D F 0.0000 Buried
99 T F 0.2460 Aggregation-prone
100 A F 0.0000 Buried
101 V F 0.5100 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F 0.0000 Buried
107 V F 0.6792 Aggregation-prone
108 S F 0.7320 Aggregation-prone
109 I F 1.3159 Aggregation-prone
110 F F 1.8738 Aggregation-prone
111 G F 0.7058 Aggregation-prone
112 V F 0.4722 Aggregation-prone
113 G F 0.7432 Aggregation-prone
114 T F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.1574 Soluble
117 Y F -0.0149 Soluble
118 W F -0.5959 Soluble
119 G F 0.0000 Buried
120 Q F -1.8483 Soluble
121 G F -0.7418 Soluble
122 T F 0.0516 Aggregation-prone
123 L F 1.0437 Aggregation-prone
124 V F 0.0000 Buried
125 T F 0.0000 Buried
126 V F 0.0000 Buried
127 S F -0.6742 Soluble
128 S F -0.8570 Soluble
129 A F -0.6298 Soluble
130 S F -0.5094 Soluble
131 T F -0.6863 Soluble
132 K F -1.2271 Soluble
133 G F -1.4022 Soluble
134 P F 0.0000 Buried
135 S F -0.2500 Soluble
136 V F 0.0000 Buried
137 F F -0.6922 Soluble
138 P F -1.0894 Soluble
139 L F 0.0000 Buried
140 A F -0.6406 Soluble
141 P F -0.5221 Soluble
142 S F -0.4818 Soluble
143 G F -0.6623 Soluble
144 T F -0.5405 Soluble
145 A F 0.0000 Buried
146 A F 0.0000 Buried
147 L F 0.0000 Buried
148 G F 0.0000 Buried
149 C F 0.0000 Buried
150 L F 0.0000 Buried
151 V F 0.0000 Buried
152 K F -0.2301 Soluble
153 D F -0.4232 Soluble
154 Y F 0.0000 Buried
155 F F 0.0000 Buried
156 P F -0.6700 Soluble
157 E F -0.2981 Soluble
158 P F -0.7079 Soluble
159 V F -0.5449 Soluble
160 T F -0.4608 Soluble
161 V F -0.0666 Soluble
162 S F -0.4308 Soluble
163 W F 0.0000 Buried
164 N F -0.9351 Soluble
165 S F -0.7290 Soluble
166 G F -0.6143 Soluble
167 A F -0.2837 Soluble
168 L F -0.0868 Soluble
169 T F -0.2498 Soluble
170 S F -0.3021 Soluble
171 G F -0.3704 Soluble
172 V F 0.0583 Aggregation-prone
173 H F -0.3901 Soluble
174 T F 0.0016 Aggregation-prone
175 F F 0.0000 Buried
176 P F -0.2875 Soluble
177 A F 0.2541 Aggregation-prone
178 V F 0.3905 Aggregation-prone
179 L F 1.2950 Aggregation-prone
180 Q F 0.2028 Aggregation-prone
181 S F -0.0666 Soluble
182 S F -0.1992 Soluble
183 G F 0.0297 Aggregation-prone
184 L F 0.0928 Aggregation-prone
185 Y F 0.4251 Aggregation-prone
186 S F 0.0000 Buried
187 L F 0.3908 Aggregation-prone
188 S F 0.0000 Buried
189 S F 0.0000 Buried
190 V F 0.0000 Buried
191 V F 0.0000 Buried
192 T F -0.1816 Soluble
193 V F 0.0000 Buried
194 P F -0.5243 Soluble
195 S F -0.6037 Soluble
196 S F -0.6118 Soluble
197 S F -0.5600 Soluble
198 L F -0.8665 Soluble
199 G F -1.0199 Soluble
200 T F -0.6760 Soluble
201 Q F -1.1571 Soluble
202 T F -1.1553 Soluble
203 Y F 0.0000 Buried
204 I F -1.3531 Soluble
205 C F 0.0000 Buried
206 N F -1.5746 Soluble
207 V F 0.0000 Buried
208 N F -1.8244 Soluble
209 H F 0.0000 Buried
210 K F -2.6454 Soluble
211 P F -1.5975 Soluble
212 S F -1.8020 Soluble
213 N F -2.4579 Soluble
214 T F -2.0222 Soluble
215 K F -2.6354 Soluble
216 V F -1.4988 Soluble
217 D F -2.5527 Soluble
218 K F -2.0865 Soluble
219 K F -2.6358 Soluble
220 V F 0.0000 Buried
221 E F -2.5012 Soluble
222 P F -1.2160 Soluble
1 E G -1.5803 Soluble
2 I G 0.0000 Buried
3 V G 0.6763 Aggregation-prone
4 M G 0.0000 Buried
5 T G -0.5014 Soluble
6 Q G 0.0000 Buried
7 S G -0.7179 Soluble
8 P G -0.3838 Soluble
9 A G -0.3629 Soluble
10 T G -0.2887 Soluble
11 L G -0.1546 Soluble
12 S G -0.4979 Soluble
13 L G -1.0604 Soluble
14 S G -1.5579 Soluble
15 P G -1.9201 Soluble
16 G G -2.2301 Soluble
17 E G -3.2002 Soluble
18 R G -3.0243 Soluble
19 A G 0.0000 Buried
20 T G -0.5187 Soluble
21 L G 0.0000 Buried
22 S G -0.9373 Soluble
23 C G 0.0000 Buried
24 R G -2.5126 Soluble
25 A G -1.4276 Soluble
26 S G -1.1670 Soluble
27 Q G -1.6312 Soluble
28 S G -1.3574 Soluble
29 V G 0.0000 Buried
36 S G -0.5740 Soluble
37 S G -0.0864 Soluble
38 Y G 0.6829 Aggregation-prone
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G -0.9244 Soluble
44 Q G -1.2357 Soluble
45 K G -1.6426 Soluble
46 P G -1.3504 Soluble
47 G G -1.4844 Soluble
48 Q G -2.1992 Soluble
49 A G -1.4557 Soluble
50 P G 0.0000 Buried
51 R G -1.6604 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.4580 Soluble
56 D G -0.6345 Soluble
57 A G 0.0000 Buried
65 S G -1.2442 Soluble
66 N G -1.6401 Soluble
67 R G -1.7433 Soluble
68 A G -1.0260 Soluble
69 T G -0.6213 Soluble
70 G G -0.5748 Soluble
71 I G -0.4921 Soluble
72 P G -0.3603 Soluble
74 A G -0.3692 Soluble
75 R G -0.7009 Soluble
76 F G 0.0000 Buried
77 S G -0.7345 Soluble
78 G G -0.7451 Soluble
79 S G -0.9839 Soluble
80 G G -1.1941 Soluble
83 S G -1.0297 Soluble
84 G G -1.2593 Soluble
85 T G -2.0876 Soluble
86 D G -2.7663 Soluble
87 F G 0.0000 Buried
88 T G -0.9035 Soluble
89 L G 0.0000 Buried
90 T G -0.6113 Soluble
91 I G 0.0000 Buried
92 S G -1.6341 Soluble
93 S G -2.0221 Soluble
94 L G 0.0000 Buried
95 E G -2.0931 Soluble
96 P G -1.5781 Soluble
97 E G -2.2661 Soluble
98 D G 0.0000 Buried
99 F G -0.6178 Soluble
100 A G 0.0000 Buried
101 V G -0.2520 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 H G 0.0000 Buried
106 Q G 0.0000 Buried
107 Y G 0.2503 Aggregation-prone
108 G G -0.0177 Soluble
109 S G -0.4838 Soluble
114 T G -0.4963 Soluble
115 P G -0.5926 Soluble
116 L G -0.0050 Soluble
117 T G -0.0586 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 G G -0.6408 Soluble
121 G G -0.7575 Soluble
122 T G 0.0000 Buried
123 K G -0.6480 Soluble
124 A G 0.0000 Buried
125 E G 0.0000 Buried
126 I G -0.4574 Soluble
127 K G -1.2931 Soluble
128 R G -0.9539 Soluble
129 T G 0.1327 Aggregation-prone
130 V G 0.9589 Aggregation-prone
131 A G 0.4329 Aggregation-prone
132 A G 0.0531 Aggregation-prone
133 P G 0.0000 Buried
134 S G -0.2140 Soluble
135 V G 0.0000 Buried
136 F G 0.1468 Aggregation-prone
137 I G 0.1817 Aggregation-prone
138 F G 0.0000 Buried
139 P G -0.5187 Soluble
140 P G -0.7680 Soluble
141 S G -1.6408 Soluble
142 D G -3.0069 Soluble
143 E G -3.1361 Soluble
144 Q G 0.0000 Buried
145 L G -2.2768 Soluble
146 K G -2.7961 Soluble
147 S G -1.7242 Soluble
148 G G -1.0142 Soluble
149 T G -0.8098 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G 0.0000 Buried
158 N G -0.9243 Soluble
159 F G 0.0000 Buried
160 Y G 0.0000 Buried
161 P G -1.5737 Soluble
162 R G -2.7083 Soluble
163 E G -3.2475 Soluble
164 A G -2.2916 Soluble
165 K G -2.1905 Soluble
166 V G -1.1910 Soluble
167 Q G -0.8165 Soluble
168 W G 0.0000 Buried
169 K G -0.6513 Soluble
170 V G 0.0000 Buried
171 D G -1.8293 Soluble
172 N G -1.4840 Soluble
173 A G -0.2342 Soluble
174 L G 0.6760 Aggregation-prone
175 Q G -0.3508 Soluble
176 S G -0.7030 Soluble
177 G G -1.4041 Soluble
178 N G -1.7885 Soluble
179 S G -1.8836 Soluble
180 Q G -2.2409 Soluble
181 E G -2.2559 Soluble
182 S G -0.8748 Soluble
183 V G -0.6941 Soluble
184 T G -1.0844 Soluble
185 E G -2.2455 Soluble
186 Q G -1.8781 Soluble
187 D G -1.9281 Soluble
188 S G -1.7203 Soluble
189 K G -2.2174 Soluble
190 D G -1.7865 Soluble
191 S G -1.6772 Soluble
192 T G 0.0000 Buried
193 Y G 0.0000 Buried
194 S G 0.0000 Buried
195 L G -0.5653 Soluble
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -1.0340 Soluble
199 L G 0.0000 Buried
200 T G -0.6074 Soluble
201 L G -0.8259 Soluble
202 S G -1.1023 Soluble
203 K G -2.0960 Soluble
204 A G -2.0180 Soluble
205 D G -2.7951 Soluble
206 Y G 0.0000 Buried
207 E G -3.7666 Soluble
208 K G -3.8044 Soluble
209 H G -3.0921 Soluble
210 K G -3.0107 Soluble
211 V G -1.2065 Soluble
212 Y G 0.0000 Buried
213 A G -0.5941 Soluble
214 C G 0.0000 Buried
215 E G -1.0397 Soluble
216 V G 0.0000 Buried
217 T G -1.2645 Soluble
218 H G 0.0000 Buried
219 Q G -1.2098 Soluble
220 G G -0.1884 Soluble
221 L G -0.2133 Soluble
222 S G -0.4208 Soluble
223 S G -0.3894 Soluble
224 P G -0.5728 Soluble
225 V G -0.1009 Soluble
226 T G -0.5363 Soluble
227 K G -0.6254 Soluble
228 S G -0.4777 Soluble
229 F G -0.5233 Soluble
230 N G -1.3394 Soluble
231 R G -2.0105 Soluble
232 G G -1.2954 Soluble
233 A G -0.6543 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 -0.6095 4.7501 CSV PDB
4.5 -0.6472 4.712 CSV PDB
5.0 -0.6915 4.6621 CSV PDB
5.5 -0.7329 4.6068 CSV PDB
6.0 -0.7612 4.5493 CSV PDB
6.5 -0.7684 4.4912 CSV PDB
7.0 -0.7541 4.433 CSV PDB
7.5 -0.7254 4.3751 CSV PDB
8.0 -0.6887 4.3183 CSV PDB
8.5 -0.6467 4.2645 CSV PDB
9.0 -0.5996 4.2185 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH