Cetuximab / 5hyq

A4DAB063_5hyq_B_A | Source PDB: 5hyq | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6874
Max Score
1.9779
Min Score
-3.8751
Total Score
-297.63
Score CDR
-0.3281
Score non-CDR
-0.7301

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8751
Maximum Score 1.9779
Average Score -0.6874
Total Score -297.6334

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

Index Residue Chain A4D Score Classification
1 Q B -1.4481 Soluble
2 V B -0.8572 Soluble
3 Q B -1.5572 Soluble
4 L B 0.0000 Buried
5 K B -2.2887 Soluble
6 Q B 0.0000 Buried
7 S B -0.8360 Soluble
8 G B -1.0848 Soluble
9 P B -0.4420 Soluble
11 G B -0.3515 Soluble
12 L B 0.1134 Aggregation-prone
13 V B -0.5419 Soluble
14 Q B -1.0927 Soluble
15 P B -1.3251 Soluble
16 S B -1.5252 Soluble
17 Q B -1.8628 Soluble
18 S B -1.8326 Soluble
19 L B 0.0000 Buried
20 S B -0.8323 Soluble
21 I B 0.0000 Buried
22 T B -0.5342 Soluble
23 C B 0.0000 Buried
24 T B -1.1485 Soluble
25 V B 0.0000 Buried
26 S B -1.2279 Soluble
27 G B -0.9750 Soluble
28 F B -0.5347 Soluble
29 S B -0.8702 Soluble
30 L B 0.0000 Buried
35 T B -0.8768 Soluble
36 N B -0.8334 Soluble
37 Y B 0.4277 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 -0.4419 Soluble
45 S B -0.9952 Soluble
46 P B -1.1847 Soluble
47 G B -1.7494 Soluble
48 K B -2.2542 Soluble
49 G B -1.1459 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 -0.5430 Soluble
58 S B -0.6472 Soluble
59 G B -1.2292 Soluble
63 G B -1.5731 Soluble
64 N B -1.8780 Soluble
65 T B -1.3187 Soluble
66 D B -1.0377 Soluble
67 Y B -0.4172 Soluble
68 N B -0.2124 Soluble
69 T B -0.2522 Soluble
70 P B -0.3987 Soluble
71 F B 0.0000 Buried
72 T B -0.4865 Soluble
74 S B -0.6848 Soluble
75 R B -1.2965 Soluble
76 L B 0.0000 Buried
77 S B -1.2424 Soluble
78 I B 0.0000 Buried
79 N B -1.7696 Soluble
80 K B -1.4351 Soluble
81 D B -1.7338 Soluble
82 N B -2.1017 Soluble
83 S B -1.6241 Soluble
84 K B -2.3274 Soluble
85 S B -1.5702 Soluble
86 Q B -1.4631 Soluble
87 V B 0.0000 Buried
88 F B -0.2803 Soluble
89 F B 0.0000 Buried
90 K B -1.9599 Soluble
91 M B 0.0000 Buried
92 N B -2.3699 Soluble
93 S B -1.6550 Soluble
94 L B 0.0000 Buried
95 Q B -2.1332 Soluble
96 S B -1.5038 Soluble
97 N B -2.0942 Soluble
98 D B 0.0000 Buried
99 T B -0.6097 Soluble
100 A B 0.0000 Buried
101 I B 0.5345 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 1.0197 Aggregation-prone
109 T B 1.1617 Aggregation-prone
110 Y B 1.8703 Aggregation-prone
111 Y B 1.9779 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.6604 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2207 Aggregation-prone
117 Y B 0.1232 Aggregation-prone
118 W B -0.5043 Soluble
119 G B 0.0000 Buried
120 Q B -1.7854 Soluble
121 G B -0.8502 Soluble
122 T B 0.0000 Buried
123 L B 0.3026 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2091 Soluble
126 V B 0.0000 Buried
127 S B -0.5478 Soluble
128 A B -0.2063 Soluble
129 A B -0.1922 Soluble
130 S B -0.4124 Soluble
131 T B -0.6407 Soluble
132 K B -1.1478 Soluble
133 G B -1.2946 Soluble
134 P B 0.0000 Buried
135 S B -0.3841 Soluble
136 V B 0.0000 Buried
137 F B -0.6899 Soluble
138 P B -1.2924 Soluble
139 L B 0.0000 Buried
140 A B -1.2869 Soluble
141 P B 0.0000 Buried
142 S B -1.2904 Soluble
143 S B -1.0540 Soluble
144 K B -1.4427 Soluble
145 S B 0.0000 Buried
146 T B -0.8391 Soluble
147 S B -0.8961 Soluble
148 G B -0.8438 Soluble
149 G B -0.9023 Soluble
150 T B -0.6244 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.4018 Soluble
160 Y B 0.0000 Buried
161 F B -0.1552 Soluble
162 P B 0.0000 Buried
163 E B -0.2555 Soluble
164 P B -0.5221 Soluble
165 V B -0.5948 Soluble
166 T B -0.5862 Soluble
167 V B -0.1971 Soluble
168 S B -0.3997 Soluble
169 W B 0.0000 Buried
170 N B -0.8886 Soluble
171 S B -0.6777 Soluble
172 G B -0.5342 Soluble
173 A B -0.2497 Soluble
174 L B -0.0242 Soluble
175 T B -0.1760 Soluble
176 S B -0.1899 Soluble
177 G B -0.2334 Soluble
178 V B 0.1724 Aggregation-prone
179 H B -0.2298 Soluble
180 T B 0.0486 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.1945 Soluble
183 A B 0.2867 Aggregation-prone
184 V B 0.5450 Aggregation-prone
185 L B 1.0652 Aggregation-prone
186 Q B 0.2223 Aggregation-prone
187 S B -0.0961 Soluble
188 S B -0.2338 Soluble
189 G B 0.0710 Aggregation-prone
190 L B 0.1949 Aggregation-prone
191 Y B 0.4930 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1221 Soluble
199 V B 0.0000 Buried
200 P B -0.5379 Soluble
201 S B -0.6037 Soluble
202 S B -0.5884 Soluble
203 S B -0.6323 Soluble
204 L B -0.8136 Soluble
205 G B -0.9802 Soluble
206 T B -0.7486 Soluble
207 Q B -1.2645 Soluble
208 T B -1.2108 Soluble
209 Y B 0.0000 Buried
210 I B -1.4566 Soluble
211 C B 0.0000 Buried
212 N B -1.5489 Soluble
213 V B 0.0000 Buried
214 N B -2.0294 Soluble
215 H B 0.0000 Buried
216 K B -2.7314 Soluble
217 P B -1.4817 Soluble
218 S B -1.7586 Soluble
219 N B -2.5451 Soluble
220 T B -2.0619 Soluble
221 K B -2.7579 Soluble
222 V B -1.8126 Soluble
223 D B -2.6482 Soluble
224 K B -2.3262 Soluble
225 R B -2.7416 Soluble
226 V B 0.0000 Buried
227 E B -2.9520 Soluble
228 P B -1.9736 Soluble
229 K B -2.5069 Soluble
1 D A -1.4968 Soluble
2 I A 0.0000 Buried
3 L A 0.5872 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.3605 Soluble
6 Q A 0.0187 Aggregation-prone
7 S A 0.2069 Aggregation-prone
8 P A 0.8678 Aggregation-prone
9 V A 1.9159 Aggregation-prone
10 I A 1.4221 Aggregation-prone
11 L A 0.6758 Aggregation-prone
12 S A -0.2512 Soluble
13 V A -1.2400 Soluble
14 S A -1.7236 Soluble
15 P A -1.9901 Soluble
16 G A -2.2316 Soluble
17 E A -3.0416 Soluble
18 R A -3.4065 Soluble
19 V A 0.0000 Buried
20 S A -0.6947 Soluble
21 F A 0.0000 Buried
22 S A -0.7535 Soluble
23 C A 0.0000 Buried
24 R A -2.4250 Soluble
25 A A -1.3446 Soluble
26 S A -1.1114 Soluble
27 Q A -1.9654 Soluble
28 S A -1.6820 Soluble
29 I A 0.0000 Buried
36 G A -1.0319 Soluble
37 T A -0.7762 Soluble
38 N A -0.7771 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 -1.2730 Soluble
45 R A -1.8918 Soluble
46 T A -1.6122 Soluble
47 N A -1.9263 Soluble
48 G A -1.5012 Soluble
49 S A -0.9799 Soluble
50 P A 0.0000 Buried
51 R A -0.7168 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7094 Soluble
56 Y A -0.6309 Soluble
57 A A 0.0000 Buried
65 S A -1.2523 Soluble
66 E A -2.0131 Soluble
67 S A -1.1821 Soluble
68 I A -0.5456 Soluble
69 S A -0.5318 Soluble
70 G A -0.4735 Soluble
71 I A -0.2538 Soluble
72 P A -0.3238 Soluble
74 S A -0.6326 Soluble
75 R A -1.2345 Soluble
76 F A 0.0000 Buried
77 S A -0.8854 Soluble
78 G A 0.0000 Buried
79 S A -0.8741 Soluble
80 G A -1.1536 Soluble
83 S A -1.1969 Soluble
84 G A -1.4253 Soluble
85 T A -2.0541 Soluble
86 D A -2.8075 Soluble
87 F A 0.0000 Buried
88 T A -0.8594 Soluble
89 L A 0.0000 Buried
90 S A 0.0000 Buried
91 I A 0.0000 Buried
92 N A -2.8078 Soluble
93 S A -2.5189 Soluble
94 V A 0.0000 Buried
95 E A -2.5630 Soluble
96 S A -2.2215 Soluble
97 E A -2.2123 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A -0.7579 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 -0.6162 Soluble
108 N A -1.2877 Soluble
109 N A -1.2343 Soluble
114 W A 0.0052 Aggregation-prone
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0251 Soluble
118 F A 0.2080 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0422 Aggregation-prone
121 G A 0.1254 Aggregation-prone
122 T A 0.0000 Buried
123 K A -0.0645 Soluble
124 L A 0.0000 Buried
125 E A -0.7103 Soluble
126 L A 0.0000 Buried
127 K A -1.4659 Soluble
128 R A -1.1618 Soluble
129 T A -0.1524 Soluble
130 V A 0.3737 Aggregation-prone
131 A A 0.0789 Aggregation-prone
132 A A -0.1384 Soluble
133 P A 0.0000 Buried
134 S A -0.2705 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.7083 Soluble
140 P A 0.0000 Buried
141 S A -1.7645 Soluble
142 D A -3.0196 Soluble
143 E A -2.7868 Soluble
144 Q A 0.0000 Buried
145 L A -2.2417 Soluble
146 K A -2.7548 Soluble
147 S A -1.6875 Soluble
148 G A -1.3139 Soluble
149 T A -1.0059 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 -0.9097 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.3632 Soluble
162 R A -2.0043 Soluble
163 E A -2.8158 Soluble
164 A A -2.1060 Soluble
165 K A -2.1150 Soluble
166 V A 0.0000 Buried
167 Q A -0.8285 Soluble
168 W A 0.0000 Buried
169 K A -0.6775 Soluble
170 V A 0.0000 Buried
171 D A -1.8649 Soluble
172 N A -1.3385 Soluble
173 A A -0.2738 Soluble
174 L A 0.6896 Aggregation-prone
175 Q A -0.2607 Soluble
176 S A -0.4285 Soluble
177 G A -0.9245 Soluble
178 N A -0.8673 Soluble
179 S A -1.0740 Soluble
180 Q A -1.2397 Soluble
181 E A -1.5587 Soluble
182 S A -0.6922 Soluble
183 V A -0.3440 Soluble
184 T A -0.6893 Soluble
185 E A -1.6308 Soluble
186 Q A 0.0000 Buried
187 D A -1.8120 Soluble
188 S A -2.1975 Soluble
189 K A -2.6201 Soluble
190 D A -1.9007 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 -0.6076 Soluble
199 L A 0.0000 Buried
200 T A -0.4694 Soluble
201 L A -0.7661 Soluble
202 S A -1.2003 Soluble
203 K A -2.1928 Soluble
204 A A -2.1552 Soluble
205 D A -3.0551 Soluble
206 Y A 0.0000 Buried
207 E A -3.8243 Soluble
208 K A -3.8751 Soluble
209 H A -3.1642 Soluble
210 K A -3.1960 Soluble
211 V A -1.5766 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9540 Soluble
216 V A 0.0000 Buried
217 T A -1.2650 Soluble
218 H A 0.0000 Buried
219 Q A -1.4967 Soluble
220 G A -0.4325 Soluble
221 L A -0.2328 Soluble
222 S A -0.4533 Soluble
223 S A -0.4407 Soluble
224 P A -0.6793 Soluble
225 V A -0.0495 Soluble
226 T A -0.4271 Soluble
227 K A -0.8665 Soluble
228 S A -0.7148 Soluble
229 F A 0.0000 Buried
230 N A -2.1651 Soluble
231 R A -2.6885 Soluble
232 G A -2.0581 Soluble
233 E A -2.5715 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
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 -0.6799 2.3985 CSV PDB
4.5 -0.7179 2.3278 CSV PDB
5.0 -0.7631 2.2872 CSV PDB
5.5 -0.8067 2.2753 CSV PDB
6.0 -0.8384 2.2685 CSV PDB
6.5 -0.8497 2.2721 CSV PDB
7.0 -0.84 2.288 CSV PDB
7.5 -0.8161 2.3127 CSV PDB
8.0 -0.7843 2.3419 CSV PDB
8.5 -0.7469 2.3739 CSV PDB
9.0 -0.7039 2.4093 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH