Cetuximab / 4gw1

A4DAB063_4gw1_B_A | Source PDB: 4gw1 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6843
Max Score
1.9722
Min Score
-3.4217
Total Score
-296.28
Score CDR
-0.3432
Score non-CDR
-0.7248

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.4217
Maximum Score 1.9722
Average Score -0.6843
Total Score -296.2815

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

Index Residue Chain A4D Score Classification
1 Q B -1.5316 Soluble
2 V B -0.9993 Soluble
3 Q B -1.7761 Soluble
4 L B 0.0000 Buried
5 K B -2.1756 Soluble
6 Q B 0.0000 Buried
7 S B -0.8503 Soluble
8 G B -1.1309 Soluble
9 P B -0.4487 Soluble
11 G B -0.4017 Soluble
12 L B 0.0549 Aggregation-prone
13 V B -0.6178 Soluble
14 Q B -1.1732 Soluble
15 P B -1.5283 Soluble
16 S B -1.5972 Soluble
17 Q B -2.0212 Soluble
18 S B -1.9317 Soluble
19 L B 0.0000 Buried
20 S B -0.8929 Soluble
21 I B 0.0000 Buried
22 T B -0.6497 Soluble
23 C B 0.0000 Buried
24 T B -1.1876 Soluble
25 V B 0.0000 Buried
26 S B -1.2720 Soluble
27 G B -1.0635 Soluble
28 F B -0.5796 Soluble
29 S B -0.9443 Soluble
30 L B 0.0000 Buried
35 T B -1.0393 Soluble
36 N B -0.9120 Soluble
37 Y B 0.4129 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 -0.3899 Soluble
45 S B -0.9638 Soluble
46 P B -1.1397 Soluble
47 G B -1.7007 Soluble
48 K B -2.2051 Soluble
49 G B -1.0863 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 -0.5329 Soluble
58 S B -0.7133 Soluble
59 G B -1.2716 Soluble
63 G B -1.6001 Soluble
64 N B -1.8527 Soluble
65 T B -1.3144 Soluble
66 D B -1.0250 Soluble
67 Y B -0.3900 Soluble
68 N B 0.0000 Buried
69 T B -0.1859 Soluble
70 P B -0.3706 Soluble
71 F B 0.0000 Buried
72 T B -0.4724 Soluble
74 S B -0.6782 Soluble
75 R B -1.2987 Soluble
76 L B 0.0000 Buried
77 S B -1.2681 Soluble
78 I B 0.0000 Buried
79 N B -1.9569 Soluble
80 K B -1.7512 Soluble
81 D B -2.2515 Soluble
82 N B -2.7417 Soluble
83 S B -1.9523 Soluble
84 K B -2.5875 Soluble
85 S B -1.8497 Soluble
86 Q B -1.7659 Soluble
87 V B 0.0000 Buried
88 F B -0.6490 Soluble
89 F B 0.0000 Buried
90 K B -1.9625 Soluble
91 M B 0.0000 Buried
92 N B -2.4216 Soluble
93 S B -1.7456 Soluble
94 L B 0.0000 Buried
95 Q B -2.2141 Soluble
96 S B -1.5295 Soluble
97 N B -2.0933 Soluble
98 D B 0.0000 Buried
99 T B -0.5959 Soluble
100 A B 0.0000 Buried
101 I B 0.6008 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 0.9977 Aggregation-prone
109 T B 1.1492 Aggregation-prone
110 Y B 1.8681 Aggregation-prone
111 Y B 1.9722 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.5872 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.1851 Aggregation-prone
117 Y B 0.0683 Aggregation-prone
118 W B -0.5364 Soluble
119 G B 0.0000 Buried
120 Q B -1.7968 Soluble
121 G B -0.8504 Soluble
122 T B 0.0000 Buried
123 L B 0.3102 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2392 Soluble
126 V B 0.0000 Buried
127 S B -0.5669 Soluble
128 A B -0.2054 Soluble
129 A B -0.2374 Soluble
130 S B -0.4618 Soluble
131 T B -0.7258 Soluble
132 K B -1.2435 Soluble
133 G B -1.3578 Soluble
134 P B 0.0000 Buried
135 S B -0.4386 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.3680 Soluble
139 L B 0.0000 Buried
140 A B -1.3707 Soluble
141 P B 0.0000 Buried
142 S B -1.2259 Soluble
143 S B -0.8496 Soluble
144 K B -1.3110 Soluble
145 S B 0.0000 Buried
146 T B -0.8142 Soluble
147 S B -0.8737 Soluble
148 G B -0.8520 Soluble
149 G B -0.9182 Soluble
150 T B -0.6612 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 -0.3761 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.2467 Soluble
164 P B -0.4183 Soluble
165 V B -0.4790 Soluble
166 T B -0.4016 Soluble
167 V B -0.0970 Soluble
168 S B -0.1979 Soluble
169 W B 0.0000 Buried
170 N B -0.7192 Soluble
171 S B -0.5120 Soluble
172 G B -0.5419 Soluble
173 A B -0.2442 Soluble
174 L B -0.0232 Soluble
175 T B -0.1841 Soluble
176 S B -0.1906 Soluble
177 G B -0.2384 Soluble
178 V B 0.1429 Aggregation-prone
179 H B -0.3086 Soluble
180 T B -0.0071 Soluble
181 F B 0.0000 Buried
182 P B -0.2765 Soluble
183 A B 0.3018 Aggregation-prone
184 V B 0.5541 Aggregation-prone
185 L B 1.2116 Aggregation-prone
186 Q B 0.2029 Aggregation-prone
187 S B -0.0794 Soluble
188 S B -0.2192 Soluble
189 G B 0.0471 Aggregation-prone
190 L B 0.1553 Aggregation-prone
191 Y B 0.5155 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 -0.1254 Soluble
199 V B 0.0000 Buried
200 P B -0.5386 Soluble
201 S B -0.5786 Soluble
202 S B -0.5783 Soluble
203 S B -0.6078 Soluble
204 L B -0.7659 Soluble
205 G B -0.9480 Soluble
206 T B -0.7304 Soluble
207 Q B -1.2196 Soluble
208 T B -1.1656 Soluble
209 Y B 0.0000 Buried
210 I B -1.0796 Soluble
211 C B 0.0000 Buried
212 N B 0.0000 Buried
213 V B 0.0000 Buried
214 N B -1.5339 Soluble
215 H B 0.0000 Buried
216 K B -2.4734 Soluble
217 P B -1.4690 Soluble
218 S B -1.7234 Soluble
219 N B -2.4491 Soluble
220 T B -1.9381 Soluble
221 K B -2.2740 Soluble
222 V B -0.9442 Soluble
223 D B -1.4923 Soluble
224 K B -1.7104 Soluble
225 R B -2.4206 Soluble
226 V B 0.0000 Buried
227 E B -2.9252 Soluble
228 P B -1.9764 Soluble
229 K B -2.5766 Soluble
230 S B -1.3275 Soluble
1 D A -1.4297 Soluble
2 I A 0.0000 Buried
3 L A 0.5811 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.3766 Soluble
6 Q A -0.0595 Soluble
7 S A 0.0938 Aggregation-prone
8 P A 0.7961 Aggregation-prone
9 V A 1.8191 Aggregation-prone
10 I A 1.1548 Aggregation-prone
11 L A 0.4674 Aggregation-prone
12 S A -0.4130 Soluble
13 V A -1.3127 Soluble
14 S A -1.7959 Soluble
15 P A -1.9585 Soluble
16 G A -2.1993 Soluble
17 E A -3.0237 Soluble
18 R A -3.1968 Soluble
19 V A 0.0000 Buried
20 S A -0.7014 Soluble
21 F A 0.0000 Buried
22 S A -0.8111 Soluble
23 C A 0.0000 Buried
24 R A -2.4452 Soluble
25 A A -1.2960 Soluble
26 S A -1.0359 Soluble
27 Q A -1.6867 Soluble
28 S A -1.5688 Soluble
29 I A 0.0000 Buried
36 G A -1.0577 Soluble
37 T A -0.9922 Soluble
38 N A -0.8391 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 -1.2695 Soluble
45 R A -1.8565 Soluble
46 T A -1.7179 Soluble
47 N A -1.9748 Soluble
48 G A -1.5015 Soluble
49 S A -0.9708 Soluble
50 P A 0.0000 Buried
51 R A -0.7267 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.8983 Soluble
56 Y A -0.6943 Soluble
57 A A 0.0000 Buried
65 S A -1.3243 Soluble
66 E A -2.0759 Soluble
67 S A -1.2378 Soluble
68 I A -0.5820 Soluble
69 S A -0.3426 Soluble
70 G A -0.4673 Soluble
71 I A -0.2454 Soluble
72 P A -0.3034 Soluble
74 S A -0.5259 Soluble
75 R A -0.9935 Soluble
76 F A 0.0000 Buried
77 S A -0.8190 Soluble
78 G A 0.0000 Buried
79 S A -0.8462 Soluble
80 G A -1.0833 Soluble
83 S A -0.9513 Soluble
84 G A -1.3474 Soluble
85 T A -1.9014 Soluble
86 D A -2.4476 Soluble
87 F A 0.0000 Buried
88 T A -0.8413 Soluble
89 L A 0.0000 Buried
90 S A -0.8010 Soluble
91 I A 0.0000 Buried
92 N A -2.1550 Soluble
93 S A -2.2244 Soluble
94 V A 0.0000 Buried
95 E A -2.3266 Soluble
96 S A -2.0940 Soluble
97 E A -1.6792 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A -0.8551 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 -0.6634 Soluble
108 N A -1.2677 Soluble
109 N A -1.1001 Soluble
114 W A 0.1724 Aggregation-prone
115 P A -0.1630 Soluble
116 T A 0.0000 Buried
117 T A -0.0181 Soluble
118 F A 0.1841 Aggregation-prone
119 G A 0.0000 Buried
120 A A -0.0529 Soluble
121 G A 0.0848 Aggregation-prone
122 T A 0.0000 Buried
123 K A -0.3417 Soluble
124 L A 0.0000 Buried
125 E A -1.1154 Soluble
126 L A 0.0000 Buried
127 K A -1.5124 Soluble
128 R A -1.1751 Soluble
129 T A -0.1218 Soluble
130 V A 0.3517 Aggregation-prone
131 A A -0.0652 Soluble
132 A A -0.1234 Soluble
133 P A 0.0000 Buried
134 S A -0.2021 Soluble
135 V A -0.2282 Soluble
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.7149 Soluble
140 P A 0.0000 Buried
141 S A -1.8248 Soluble
142 D A -3.0830 Soluble
143 E A -2.9341 Soluble
144 Q A 0.0000 Buried
145 L A -2.2081 Soluble
146 K A -2.7900 Soluble
147 S A -1.7339 Soluble
148 G A -1.2041 Soluble
149 T A -0.9472 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 -0.9974 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.7360 Soluble
162 R A -2.8703 Soluble
163 E A -3.2283 Soluble
164 A A -2.3253 Soluble
165 K A -2.2970 Soluble
166 V A -1.0808 Soluble
167 Q A -0.8429 Soluble
168 W A 0.0000 Buried
169 K A -0.7247 Soluble
170 V A 0.0000 Buried
171 D A -1.7254 Soluble
172 N A -1.3419 Soluble
173 A A -0.2793 Soluble
174 L A 0.6578 Aggregation-prone
175 Q A -0.1547 Soluble
176 S A -0.4237 Soluble
177 G A -0.9743 Soluble
178 N A -0.9272 Soluble
179 S A -1.2221 Soluble
180 Q A -1.5331 Soluble
181 E A -1.4862 Soluble
182 S A -0.8286 Soluble
183 V A -0.7228 Soluble
184 T A -1.1120 Soluble
185 E A -2.3064 Soluble
186 Q A 0.0000 Buried
187 D A -1.9477 Soluble
188 S A -2.1329 Soluble
189 K A -2.6454 Soluble
190 D A -2.1448 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A -1.3716 Soluble
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 -0.6854 Soluble
199 L A 0.0000 Buried
200 T A -0.4595 Soluble
201 L A -0.5665 Soluble
202 S A -0.8907 Soluble
203 K A -1.8067 Soluble
204 A A -1.6944 Soluble
205 D A -2.3291 Soluble
206 Y A 0.0000 Buried
207 E A -3.3203 Soluble
208 K A -3.4217 Soluble
209 H A -2.9724 Soluble
210 K A -3.0213 Soluble
211 V A -1.4435 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9803 Soluble
216 V A 0.0000 Buried
217 T A -1.2531 Soluble
218 H A 0.0000 Buried
219 Q A -1.7409 Soluble
220 G A -0.4186 Soluble
221 L A -0.2125 Soluble
222 S A -0.4337 Soluble
223 S A -0.4110 Soluble
224 P A -0.5930 Soluble
225 V A 0.0432 Aggregation-prone
226 T A -0.3611 Soluble
227 K A -0.6978 Soluble
228 S A -0.7224 Soluble
229 F A -1.0342 Soluble
230 N A -2.0022 Soluble
231 R A -2.3547 Soluble
232 G A -1.4547 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 -0.7179 3.0392 CSV PDB
4.5 -0.7519 2.9863 CSV PDB
5.0 -0.7928 2.9137 CSV PDB
5.5 -0.832 2.8311 CSV PDB
6.0 -0.8591 2.7447 CSV PDB
6.5 -0.8657 2.657 CSV PDB
7.0 -0.8513 2.5691 CSV PDB
7.5 -0.8234 2.4815 CSV PDB
8.0 -0.7885 2.3951 CSV PDB
8.5 -0.7491 2.3125 CSV PDB
9.0 -0.7054 2.2399 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH