Cetuximab / 5th2

A4DAB063_5th2_B_A | Source PDB: 5th2 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6594
Max Score
1.9889
Min Score
-3.8837
Total Score
-280.24
Score CDR
-0.2861
Score non-CDR
-0.7047

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDQLKSGTASVVCLLNNFYPREAKVQWKVDALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) B (Heavy), A (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 -3.8837
Maximum Score 1.9889
Average Score -0.6594
Total Score -280.2404

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

Index Residue Chain A4D Score Classification
1 Q B -1.4447 Soluble
2 V B -0.8058 Soluble
3 Q B -1.4591 Soluble
4 L B 0.0000 Buried
5 K B -1.9691 Soluble
6 Q B 0.0000 Buried
7 S B -0.7541 Soluble
8 G B -1.0020 Soluble
9 P B -0.4740 Soluble
11 G B -0.3926 Soluble
12 L B 0.0275 Aggregation-prone
13 V B -0.6068 Soluble
14 Q B -1.1525 Soluble
15 P B -1.3948 Soluble
16 S B -1.4183 Soluble
17 Q B -1.7686 Soluble
18 S B -1.4880 Soluble
19 L B 0.0000 Buried
20 S B -0.6194 Soluble
21 I B 0.0000 Buried
22 T B -0.4317 Soluble
23 C B 0.0000 Buried
24 T B -1.0177 Soluble
25 V B 0.0000 Buried
26 S B -1.1125 Soluble
27 G B -0.9415 Soluble
28 F B -0.5228 Soluble
29 S B -0.8844 Soluble
30 L B 0.0000 Buried
35 T B -0.9279 Soluble
36 N B -0.8606 Soluble
37 Y B 0.4469 Aggregation-prone
38 G B 0.0000 Buried
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.5185 Soluble
45 S B -1.0473 Soluble
46 P B -1.2134 Soluble
47 G B -1.7604 Soluble
48 K B -2.2487 Soluble
49 G B -1.1746 Soluble
50 L B 0.0000 Buried
51 E B 0.0000 Buried
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 W B -0.4976 Soluble
58 S B -0.6246 Soluble
59 G B -1.2237 Soluble
63 G B -1.5358 Soluble
64 N B -1.8382 Soluble
65 T B -1.2962 Soluble
66 D B -0.9876 Soluble
67 Y B -0.3646 Soluble
68 N B 0.0000 Buried
69 T B -0.2949 Soluble
70 P B -0.3644 Soluble
71 F B 0.0000 Buried
72 T B -0.4582 Soluble
74 S B -0.5442 Soluble
75 R B -0.9456 Soluble
76 L B 0.0000 Buried
77 S B -1.0353 Soluble
78 I B 0.0000 Buried
79 N B -1.7237 Soluble
80 K B -1.4584 Soluble
81 D B -1.8577 Soluble
82 N B -2.3204 Soluble
83 S B -1.7351 Soluble
84 K B -2.3965 Soluble
85 S B -1.6187 Soluble
86 Q B -1.4893 Soluble
87 V B 0.0000 Buried
88 F B -0.1924 Soluble
89 F B 0.0000 Buried
90 K B -1.5074 Soluble
91 M B 0.0000 Buried
92 N B -1.5363 Soluble
93 S B -1.3425 Soluble
94 L B 0.0000 Buried
95 Q B -1.9667 Soluble
96 S B -1.4436 Soluble
97 N B -2.0531 Soluble
98 D B 0.0000 Buried
99 T B -0.6214 Soluble
100 A B 0.0000 Buried
101 I B 0.3443 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 A B 0.0000 Buried
108 L B 1.1182 Aggregation-prone
109 T B 1.2103 Aggregation-prone
110 Y B 1.8889 Aggregation-prone
111 Y B 1.9889 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.6092 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2545 Aggregation-prone
117 Y B 0.2356 Aggregation-prone
118 W B -0.4416 Soluble
119 G B 0.0000 Buried
120 Q B -1.7341 Soluble
121 G B -0.8776 Soluble
122 T B 0.0000 Buried
123 L B 0.1444 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2839 Soluble
126 V B 0.0000 Buried
127 S B -0.5364 Soluble
128 A B -0.2142 Soluble
129 A B -0.2343 Soluble
130 S B -0.4398 Soluble
131 T B -0.5882 Soluble
132 K B -1.1643 Soluble
133 G B -1.3976 Soluble
134 P B 0.0000 Buried
135 S B -0.1675 Soluble
136 V B 0.0000 Buried
137 F B -0.2812 Soluble
138 P B -0.9363 Soluble
139 L B 0.0000 Buried
140 A B -1.0865 Soluble
141 P B 0.0000 Buried
142 S B -0.6992 Soluble
143 G B -0.7733 Soluble
144 G B -0.8593 Soluble
145 T B -0.6229 Soluble
146 A B -0.3408 Soluble
147 A B 0.0000 Buried
148 L B 0.0000 Buried
149 G B 0.0000 Buried
150 C B 0.0000 Buried
151 L B 0.0000 Buried
152 V B 0.0000 Buried
153 K B 0.0000 Buried
154 D B -0.3913 Soluble
155 Y B 0.0000 Buried
156 F B 0.0000 Buried
157 P B 0.0000 Buried
158 E B -0.4072 Soluble
159 P B -0.6380 Soluble
160 V B -0.7200 Soluble
161 T B -0.6716 Soluble
162 V B -0.2531 Soluble
163 S B -0.4580 Soluble
164 W B 0.0000 Buried
165 N B -0.8126 Soluble
166 S B -0.6826 Soluble
167 G B -0.5185 Soluble
168 A B -0.2347 Soluble
169 L B -0.0035 Soluble
170 T B -0.1668 Soluble
171 S B -0.1846 Soluble
172 G B -0.2151 Soluble
173 V B 0.1712 Aggregation-prone
174 H B -0.2942 Soluble
175 T B 0.0093 Aggregation-prone
176 F B 0.0000 Buried
177 P B -0.4952 Soluble
178 A B 0.1844 Aggregation-prone
179 V B 0.4332 Aggregation-prone
180 L B 1.1134 Aggregation-prone
181 Q B 0.2635 Aggregation-prone
182 S B -0.1642 Soluble
183 S B -0.2295 Soluble
184 G B 0.0018 Aggregation-prone
185 L B 0.1291 Aggregation-prone
186 Y B 0.4278 Aggregation-prone
187 S B 0.0000 Buried
188 L B 0.0000 Buried
189 S B 0.0000 Buried
190 S B 0.0000 Buried
191 V B 0.0000 Buried
192 V B 0.0000 Buried
193 T B -0.1294 Soluble
194 V B 0.0000 Buried
195 P B -0.5460 Soluble
196 S B -0.6126 Soluble
197 S B -0.6031 Soluble
198 S B -0.5811 Soluble
199 L B -0.8171 Soluble
200 G B -0.9432 Soluble
201 T B -0.7001 Soluble
202 Q B -1.1402 Soluble
203 T B -1.1298 Soluble
204 Y B 0.0000 Buried
205 I B -1.4481 Soluble
206 C B 0.0000 Buried
207 N B -1.6220 Soluble
208 V B 0.0000 Buried
209 N B -2.2616 Soluble
210 H B 0.0000 Buried
211 K B -2.7603 Soluble
212 P B -1.5879 Soluble
213 S B -1.7925 Soluble
214 N B -2.6214 Soluble
215 T B -2.1022 Soluble
216 K B -2.8101 Soluble
217 V B -1.6640 Soluble
218 D B -2.6374 Soluble
219 K B -2.2409 Soluble
220 R B -2.6308 Soluble
221 V B 0.0000 Buried
222 E B -2.6148 Soluble
223 P B -1.7929 Soluble
224 K B -2.4552 Soluble
225 S B -1.2618 Soluble
1 D A -1.3204 Soluble
2 I A 0.0000 Buried
3 L A 0.7328 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.1703 Soluble
6 Q A -0.0187 Soluble
7 S A 0.3047 Aggregation-prone
8 P A 0.8480 Aggregation-prone
9 V A 1.8880 Aggregation-prone
10 I A 1.2975 Aggregation-prone
11 L A 0.5057 Aggregation-prone
12 S A -0.2770 Soluble
13 V A -1.0585 Soluble
14 S A -1.8081 Soluble
15 P A -2.1572 Soluble
16 G A -2.3539 Soluble
17 E A -3.1124 Soluble
18 R A -3.3543 Soluble
19 V A 0.0000 Buried
20 S A -0.9948 Soluble
21 F A 0.0000 Buried
23 C A 0.0000 Buried
24 R A -1.9004 Soluble
25 A A 0.0000 Buried
26 S A -0.8478 Soluble
27 Q A -1.2638 Soluble
28 S A -1.4226 Soluble
29 I A 0.0000 Buried
36 G A -1.0533 Soluble
37 T A -0.8336 Soluble
38 N A -0.8314 Soluble
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.2758 Soluble
45 R A -1.6881 Soluble
46 T A -1.6235 Soluble
47 N A -1.7918 Soluble
48 G A -1.5128 Soluble
49 S A -1.0179 Soluble
50 P A 0.0000 Buried
51 R A -0.9104 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7088 Soluble
56 Y A -0.5706 Soluble
57 A A 0.0000 Buried
65 S A -1.1158 Soluble
66 E A -1.7015 Soluble
67 S A -1.0564 Soluble
68 I A -0.4692 Soluble
69 S A -0.3478 Soluble
70 G A -0.4768 Soluble
71 I A -0.3381 Soluble
72 P A -0.4207 Soluble
74 S A -0.7826 Soluble
75 R A -1.6288 Soluble
76 F A 0.0000 Buried
77 S A -1.0211 Soluble
78 G A -0.7098 Soluble
79 S A -0.8701 Soluble
80 G A -1.1284 Soluble
83 S A -1.0261 Soluble
84 G A -1.3082 Soluble
85 T A -1.8429 Soluble
86 D A -2.6153 Soluble
87 F A 0.0000 Buried
88 T A -0.8479 Soluble
89 L A 0.0000 Buried
90 S A -1.1124 Soluble
91 I A 0.0000 Buried
92 N A -3.0419 Soluble
93 S A -2.7386 Soluble
94 V A 0.0000 Buried
95 E A -2.7335 Soluble
96 S A -2.0633 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A -0.7983 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A -0.6059 Soluble
108 N A -1.2304 Soluble
109 N A -0.8950 Soluble
114 W A 0.2115 Aggregation-prone
115 P A -0.1424 Soluble
116 T A 0.0000 Buried
117 T A -0.0080 Soluble
118 F A 0.1991 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0327 Aggregation-prone
121 G A 0.0996 Aggregation-prone
122 T A 0.0000 Buried
123 K A -0.2566 Soluble
124 L A 0.0000 Buried
125 E A -1.1746 Soluble
126 L A 0.0000 Buried
127 K A -1.6346 Soluble
128 R A -1.1601 Soluble
129 T A -0.0951 Soluble
130 V A 0.3987 Aggregation-prone
131 A A -0.0032 Soluble
132 A A -0.0823 Soluble
133 P A 0.0000 Buried
134 S A -0.0637 Soluble
135 V A 0.1509 Aggregation-prone
136 F A 0.2652 Aggregation-prone
137 I A 0.2173 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.5032 Soluble
140 P A -0.5693 Soluble
141 S A -1.2489 Soluble
142 D A -2.2960 Soluble
144 Q A 0.0000 Buried
145 L A -1.7869 Soluble
146 K A -2.2843 Soluble
147 S A -1.4009 Soluble
148 G A -1.0354 Soluble
149 T A -0.8363 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.8130 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.6542 Soluble
162 R A -2.8797 Soluble
163 E A -3.1457 Soluble
164 A A -2.3149 Soluble
165 K A -2.4652 Soluble
166 V A -1.2469 Soluble
167 Q A -0.8462 Soluble
168 W A 0.0000 Buried
169 K A -0.7169 Soluble
170 V A 0.0000 Buried
171 D A -2.3320 Soluble
173 A A -0.0634 Soluble
174 L A 0.6762 Aggregation-prone
175 Q A -0.0990 Soluble
176 S A -0.4511 Soluble
177 G A -0.8958 Soluble
178 N A -0.8348 Soluble
179 S A -1.1785 Soluble
180 Q A -1.4781 Soluble
181 E A -2.0059 Soluble
182 S A -1.0755 Soluble
183 V A -1.0940 Soluble
184 T A -1.0931 Soluble
185 E A -2.0515 Soluble
186 Q A 0.0000 Buried
187 D A -1.7475 Soluble
188 S A -1.8866 Soluble
189 K A -2.3885 Soluble
190 D A -1.8152 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.6944 Soluble
199 L A 0.0000 Buried
200 T A -0.4512 Soluble
201 L A -0.7257 Soluble
202 S A -1.0925 Soluble
203 K A -2.1254 Soluble
204 A A -1.9894 Soluble
205 D A -2.6885 Soluble
206 Y A 0.0000 Buried
207 E A -3.7579 Soluble
208 K A -3.8837 Soluble
209 H A -3.3605 Soluble
210 K A -3.2296 Soluble
211 V A -1.5393 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -1.0020 Soluble
216 V A 0.0000 Buried
217 T A -1.2294 Soluble
218 H A 0.0000 Buried
219 Q A -1.7512 Soluble
220 G A -0.4497 Soluble
221 L A -0.2676 Soluble
222 S A -0.4813 Soluble
223 S A -0.4322 Soluble
224 P A -0.5512 Soluble
225 V A 0.0062 Aggregation-prone
226 T A -0.4590 Soluble
227 K A -0.5208 Soluble
228 S A -0.5390 Soluble
229 F A -0.6169 Soluble
230 N A -1.6698 Soluble
231 R A -2.1538 Soluble
232 G A -1.3395 Soluble
233 A A -0.7033 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.663 2.9736 CSV PDB
4.5 -0.6975 2.9293 CSV PDB
5.0 -0.7391 2.8643 CSV PDB
5.5 -0.7794 2.7876 CSV PDB
6.0 -0.8084 2.7061 CSV PDB
6.5 -0.818 2.6231 CSV PDB
7.0 -0.8078 2.5396 CSV PDB
7.5 -0.784 2.4562 CSV PDB
8.0 -0.7526 2.3737 CSV PDB
8.5 -0.716 2.2939 CSV PDB
9.0 -0.6741 2.2217 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH