Necitumumab / 6b3s

A4DAB177_6b3s_H_L | Source PDB: 6b3s | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6332
Max Score
1.8585
Min Score
-3.7393
Total Score
-269.74
Score CDR
-0.0303
Score non-CDR
-0.7098

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.7393
Maximum Score 1.8585
Average Score -0.6332
Total Score -269.7414

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

Index Residue Chain A4D Score Classification
1 Q H -1.6411 Soluble
2 V H -1.0892 Soluble
3 Q H -1.7646 Soluble
4 L H 0.0000 Buried
5 Q H -1.4418 Soluble
6 E H 0.0000 Buried
7 S H -0.6811 Soluble
8 G H -0.4880 Soluble
9 P H -0.2323 Soluble
11 G H 0.1249 Aggregation-prone
12 L H 0.1978 Aggregation-prone
13 V H 0.0000 Buried
14 K H -2.0775 Soluble
15 P H -1.4877 Soluble
16 S H -1.4449 Soluble
17 Q H -1.9456 Soluble
18 T H -1.6414 Soluble
19 L H 0.0000 Buried
20 S H -0.9607 Soluble
21 L H 0.0000 Buried
22 T H -0.5697 Soluble
23 C H 0.0000 Buried
24 T H -1.0604 Soluble
25 V H 0.0000 Buried
26 S H -1.2794 Soluble
27 G H -1.3940 Soluble
28 G H -1.0951 Soluble
29 S H -0.7792 Soluble
30 I H 0.0000 Buried
31 S H 0.0165 Aggregation-prone
34 S H -0.1021 Soluble
35 G H 0.1192 Aggregation-prone
36 D H -0.1087 Soluble
37 Y H 0.5445 Aggregation-prone
38 Y H 0.6550 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 -0.6761 Soluble
45 P H -0.7906 Soluble
46 P H -0.9043 Soluble
47 G H -1.4991 Soluble
48 K H -2.2470 Soluble
49 G H -1.3607 Soluble
50 L H 0.0000 Buried
51 E H -0.7259 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.2909 Aggregation-prone
56 I H 0.0000 Buried
57 Y H 0.6101 Aggregation-prone
58 Y H 1.0617 Aggregation-prone
59 S H 0.1407 Aggregation-prone
63 G H -0.1054 Soluble
64 S H -0.2026 Soluble
65 T H -0.0767 Soluble
66 D H -0.1801 Soluble
67 Y H -0.1154 Soluble
68 N H 0.0000 Buried
69 P H -1.1006 Soluble
70 S H -0.9942 Soluble
71 L H 0.0000 Buried
72 K H -1.9565 Soluble
74 S H -1.2848 Soluble
75 R H -1.4440 Soluble
76 V H 0.0000 Buried
77 T H -0.6853 Soluble
78 M H 0.0000 Buried
79 S H -0.1518 Soluble
80 V H 0.0789 Aggregation-prone
81 D H -1.1278 Soluble
82 T H -0.9074 Soluble
83 S H -1.3402 Soluble
84 K H -2.1324 Soluble
85 N H -1.4627 Soluble
86 Q H -1.1534 Soluble
87 F H 0.0000 Buried
88 S H -0.4724 Soluble
89 L H 0.0000 Buried
90 K H -1.6336 Soluble
91 V H 0.0000 Buried
92 N H -1.6510 Soluble
93 S H -1.2765 Soluble
94 V H 0.0000 Buried
95 T H -0.7040 Soluble
96 A H -0.2323 Soluble
97 A H 0.0582 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.1903 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.3295 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 0.0000 Buried
108 S H 0.6642 Aggregation-prone
109 I H 1.3143 Aggregation-prone
110 F H 1.8585 Aggregation-prone
111 G H 0.6379 Aggregation-prone
112 V H 0.2950 Aggregation-prone
113 G H 0.7515 Aggregation-prone
114 T H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3777 Soluble
117 Y H 0.0107 Aggregation-prone
118 W H -0.6327 Soluble
119 G H 0.0000 Buried
120 Q H -1.8282 Soluble
121 G H 0.0000 Buried
122 T H -0.0907 Soluble
123 L H 0.7297 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0433 Soluble
126 V H 0.0000 Buried
127 S H -0.6688 Soluble
128 S H -0.8638 Soluble
129 A H -0.6639 Soluble
130 S H -0.8113 Soluble
131 T H -1.0265 Soluble
132 K H -1.8154 Soluble
133 G H -1.8017 Soluble
134 P H 0.0000 Buried
135 S H -0.3485 Soluble
136 V H 0.0000 Buried
137 F H -0.5563 Soluble
138 P H -1.0172 Soluble
139 L H 0.0000 Buried
140 A H -0.8486 Soluble
141 P H -0.5604 Soluble
142 T H -0.2511 Soluble
143 A H -0.1693 Soluble
144 A H 0.0000 Buried
145 L H 0.0000 Buried
146 G H 0.0000 Buried
147 C H 0.0000 Buried
148 L H 0.0000 Buried
149 V H 0.0000 Buried
150 K H 0.0000 Buried
151 D H -0.7846 Soluble
152 Y H 0.0000 Buried
153 F H 0.0000 Buried
154 P H -1.0554 Soluble
155 E H -0.7869 Soluble
156 P H -0.9400 Soluble
157 V H -0.4594 Soluble
158 T H -0.3346 Soluble
159 V H -0.1806 Soluble
160 S H -0.4313 Soluble
161 W H 0.0000 Buried
162 N H -0.8648 Soluble
163 S H -0.7002 Soluble
164 G H -0.5359 Soluble
165 A H -0.1858 Soluble
166 L H 0.0907 Aggregation-prone
167 T H -0.0841 Soluble
168 S H -0.1527 Soluble
169 G H -0.2193 Soluble
170 V H 0.1799 Aggregation-prone
171 H H -0.3237 Soluble
172 T H 0.0034 Aggregation-prone
173 F H 0.0000 Buried
174 P H -0.4713 Soluble
175 A H 0.0378 Aggregation-prone
176 V H 0.3216 Aggregation-prone
177 L H 1.1660 Aggregation-prone
178 Q H 0.1942 Aggregation-prone
179 S H -0.0621 Soluble
180 S H -0.2645 Soluble
181 G H -0.0765 Soluble
182 L H 0.0000 Buried
183 Y H 0.0000 Buried
184 S H 0.0000 Buried
185 L H 0.0000 Buried
186 S H 0.0000 Buried
187 S H 0.0000 Buried
188 V H 0.0000 Buried
189 V H 0.0000 Buried
190 T H -0.1708 Soluble
191 V H 0.0000 Buried
192 P H -0.4961 Soluble
193 S H -0.4419 Soluble
194 S H -0.5687 Soluble
195 S H -0.6620 Soluble
196 L H -0.9112 Soluble
197 G H -1.0117 Soluble
198 T H -0.7818 Soluble
199 Q H -1.4012 Soluble
200 T H -1.2603 Soluble
201 Y H 0.0000 Buried
202 I H -1.4806 Soluble
203 C H 0.0000 Buried
204 N H -1.5625 Soluble
205 V H 0.0000 Buried
206 N H -1.7431 Soluble
207 H H 0.0000 Buried
208 K H -2.6521 Soluble
209 P H -1.8313 Soluble
210 S H -2.0153 Soluble
211 N H -2.6203 Soluble
212 T H -2.3087 Soluble
213 K H -2.6809 Soluble
214 V H -1.8135 Soluble
215 D H -2.6489 Soluble
216 K H -2.2450 Soluble
217 K H -2.5800 Soluble
218 V H 0.0000 Buried
219 E H -2.5172 Soluble
220 P H -1.2059 Soluble
1 E L -1.4568 Soluble
2 I L -0.2974 Soluble
3 V L 0.7864 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.5689 Soluble
6 Q L 0.0000 Buried
7 S L -0.6342 Soluble
8 P L -0.3952 Soluble
9 A L -0.3563 Soluble
10 T L -0.2987 Soluble
11 L L -0.1366 Soluble
12 S L -0.4361 Soluble
13 L L -0.7769 Soluble
14 S L -1.2063 Soluble
15 P L -1.6148 Soluble
16 G L -1.7517 Soluble
17 E L -2.2193 Soluble
18 R L -2.4988 Soluble
19 A L 0.0000 Buried
20 T L -0.6044 Soluble
21 L L 0.0000 Buried
22 S L -0.8538 Soluble
23 C L 0.0000 Buried
24 R L -2.2699 Soluble
25 A L 0.0000 Buried
26 S L -1.0233 Soluble
27 Q L -1.6902 Soluble
28 S L -1.3033 Soluble
29 V L 0.0000 Buried
36 S L -0.5598 Soluble
37 S L -0.0432 Soluble
38 Y L 0.6680 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 -1.4934 Soluble
46 P L -1.2838 Soluble
47 G L -1.4277 Soluble
48 Q L -2.1023 Soluble
49 A L -1.3393 Soluble
50 P L 0.0000 Buried
51 R L -1.5702 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3732 Soluble
56 D L -0.5242 Soluble
57 A L 0.0000 Buried
65 S L -1.0094 Soluble
66 N L -1.4943 Soluble
67 R L -1.8100 Soluble
68 A L -1.0544 Soluble
69 T L -0.6449 Soluble
70 G L -0.6262 Soluble
71 I L -0.6351 Soluble
72 P L -0.4094 Soluble
74 A L -0.4121 Soluble
75 R L -0.8490 Soluble
76 F L 0.0000 Buried
77 S L -0.7056 Soluble
78 G L -0.7325 Soluble
79 S L -0.8088 Soluble
80 G L -1.1482 Soluble
83 S L -0.8103 Soluble
84 G L -1.1140 Soluble
85 T L -1.8295 Soluble
86 D L -2.3432 Soluble
87 F L 0.0000 Buried
88 T L -0.7745 Soluble
89 L L 0.0000 Buried
90 T L -0.5887 Soluble
91 I L 0.0000 Buried
92 S L -1.3114 Soluble
93 S L -1.7146 Soluble
94 L L 0.0000 Buried
95 E L -2.0990 Soluble
96 P L -1.6631 Soluble
97 E L -2.3046 Soluble
98 D L 0.0000 Buried
99 F L -0.6666 Soluble
100 A L 0.0000 Buried
101 V L -0.2662 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 0.2485 Aggregation-prone
108 G L -0.1200 Soluble
109 S L -0.5143 Soluble
114 T L -0.4795 Soluble
115 P L -0.5747 Soluble
116 L L 0.0010 Aggregation-prone
117 T L 0.0090 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.7751 Soluble
121 G L -0.7526 Soluble
122 T L 0.0000 Buried
123 K L -0.7049 Soluble
124 A L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.4690 Soluble
127 K L -1.0564 Soluble
128 R L -0.7899 Soluble
129 T L 0.0918 Aggregation-prone
130 V L 0.8544 Aggregation-prone
131 A L 0.2269 Aggregation-prone
132 A L 0.0495 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.0682 Soluble
135 V L 0.0000 Buried
136 F L 0.0935 Aggregation-prone
137 I L 0.0677 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5563 Soluble
140 P L -0.8962 Soluble
141 S L -1.5512 Soluble
142 D L -2.8979 Soluble
143 E L -2.7836 Soluble
144 Q L 0.0000 Buried
145 L L -2.3127 Soluble
146 K L -2.8040 Soluble
147 S L -1.7474 Soluble
148 G L -1.3024 Soluble
149 T L -1.0472 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 -0.8267 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6510 Soluble
162 R L -2.9750 Soluble
163 E L -3.2697 Soluble
164 A L -2.3426 Soluble
165 K L -2.3616 Soluble
166 V L -0.9620 Soluble
167 Q L -0.5729 Soluble
168 W L 0.0000 Buried
169 K L -0.7633 Soluble
170 V L 0.0000 Buried
171 D L -1.9124 Soluble
172 N L -1.6306 Soluble
173 A L -0.4911 Soluble
174 L L 0.3131 Aggregation-prone
175 Q L -0.3299 Soluble
176 S L -0.5018 Soluble
177 G L -0.8982 Soluble
178 N L -0.7707 Soluble
179 S L -1.2228 Soluble
180 Q L -1.6009 Soluble
181 E L -2.0837 Soluble
182 S L -0.9409 Soluble
183 V L -0.9010 Soluble
184 T L -1.2262 Soluble
185 E L -2.3070 Soluble
186 Q L -1.9128 Soluble
187 D L -2.0047 Soluble
188 S L -1.7222 Soluble
189 K L -2.2772 Soluble
190 D L -1.7127 Soluble
191 S L -1.7010 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 -0.7088 Soluble
199 L L 0.0000 Buried
200 T L -0.4171 Soluble
201 L L -0.6171 Soluble
202 S L -1.1110 Soluble
203 K L -2.2996 Soluble
204 A L -1.9427 Soluble
205 D L -2.3912 Soluble
206 Y L 0.0000 Buried
207 E L -3.7393 Soluble
208 K L -3.6768 Soluble
209 H L -3.1346 Soluble
210 K L -3.1176 Soluble
211 V L -1.3535 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7548 Soluble
216 V L 0.0000 Buried
217 T L -1.1370 Soluble
218 H L 0.0000 Buried
219 Q L -1.4803 Soluble
220 G L -0.2953 Soluble
221 L L -0.1654 Soluble
222 S L -0.4422 Soluble
223 S L -0.4377 Soluble
224 P L -0.5094 Soluble
225 V L 0.0414 Aggregation-prone
226 T L -0.4502 Soluble
227 K L -0.7055 Soluble
228 S L -0.6006 Soluble
229 F L -0.7077 Soluble
230 N L -1.6004 Soluble
231 R L -2.1787 Soluble
232 G L -1.5629 Soluble
233 A L -0.5377 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 -0.6022 4.7704 CSV PDB
4.5 -0.6394 4.7261 CSV PDB
5.0 -0.6828 4.6704 CSV PDB
5.5 -0.7231 4.6096 CSV PDB
6.0 -0.7496 4.5469 CSV PDB
6.5 -0.7545 4.4837 CSV PDB
7.0 -0.7376 4.4205 CSV PDB
7.5 -0.7059 4.3576 CSV PDB
8.0 -0.6663 4.2962 CSV PDB
8.5 -0.6212 4.2388 CSV PDB
9.0 -0.5708 4.191 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH