Cetuximab / 5f88

A4DAB063_5f88_B_A | Source PDB: 5f88 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6671
Max Score
2.1439
Min Score
-3.8049
Total Score
-285.5
Score CDR
-0.3081
Score non-CDR
-0.7103

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.8049
Maximum Score 2.1439
Average Score -0.6671
Total Score -285.5028

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

Index Residue Chain A4D Score Classification
1 Q B -1.4270 Soluble
2 V B -0.7669 Soluble
3 Q B -1.7118 Soluble
4 L B 0.0000 Buried
5 K B -2.3732 Soluble
6 Q B 0.0000 Buried
7 S B -0.8820 Soluble
8 G B -1.0881 Soluble
9 P B -0.3809 Soluble
11 G B -0.3238 Soluble
12 L B 0.0244 Aggregation-prone
13 V B -0.6591 Soluble
14 Q B -1.3248 Soluble
15 P B -1.3570 Soluble
16 S B -1.4618 Soluble
17 Q B -1.7838 Soluble
18 S B -1.4937 Soluble
19 L B 0.0000 Buried
20 S B -0.5523 Soluble
21 I B 0.0000 Buried
22 T B -0.4716 Soluble
23 C B 0.0000 Buried
24 T B -1.1554 Soluble
25 V B 0.0000 Buried
26 S B -1.0398 Soluble
27 G B -0.9447 Soluble
28 F B -0.5114 Soluble
29 S B -0.8327 Soluble
30 L B 0.0000 Buried
35 T B -0.8653 Soluble
36 N B -0.8237 Soluble
37 Y B 0.4633 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 -0.4535 Soluble
45 S B -0.9974 Soluble
46 P B -1.2043 Soluble
47 G B -1.7811 Soluble
48 K B -2.2479 Soluble
49 G B -1.1574 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 -0.4668 Soluble
58 S B -0.5888 Soluble
59 G B -1.1896 Soluble
63 G B -1.4893 Soluble
64 N B -1.8323 Soluble
65 T B -1.2868 Soluble
66 D B -1.0184 Soluble
67 Y B -0.3961 Soluble
68 N B -0.2146 Soluble
69 T B -0.3459 Soluble
70 P B -0.3875 Soluble
71 F B 0.0000 Buried
72 T B -0.4532 Soluble
74 S B -0.5582 Soluble
75 R B -0.8994 Soluble
76 L B 0.0000 Buried
77 S B -0.9277 Soluble
78 I B 0.0000 Buried
79 N B -1.6589 Soluble
80 K B -1.3978 Soluble
81 D B -1.7560 Soluble
82 N B -2.1331 Soluble
83 S B -1.6462 Soluble
84 K B -2.3285 Soluble
85 S B -1.5381 Soluble
86 Q B -1.4540 Soluble
87 V B 0.0000 Buried
88 F B -0.1452 Soluble
89 F B 0.0000 Buried
90 K B -1.3112 Soluble
91 M B 0.0000 Buried
92 N B -1.5752 Soluble
93 S B -1.3872 Soluble
94 L B 0.0000 Buried
95 Q B -1.9962 Soluble
96 S B -1.4688 Soluble
97 N B -2.0504 Soluble
98 D B 0.0000 Buried
99 T B -0.5857 Soluble
100 A B 0.0000 Buried
101 I B 0.5618 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 1.0051 Aggregation-prone
109 T B 1.1494 Aggregation-prone
110 Y B 1.8588 Aggregation-prone
111 Y B 1.9751 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.6080 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2944 Aggregation-prone
117 Y B 0.2411 Aggregation-prone
118 W B -0.4658 Soluble
119 G B 0.0000 Buried
120 Q B -1.8339 Soluble
121 G B -0.8929 Soluble
122 T B 0.0000 Buried
123 L B 0.2652 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2499 Soluble
126 V B 0.0000 Buried
127 S B -0.5980 Soluble
128 A B -0.2795 Soluble
129 A B -0.2520 Soluble
130 S B -0.4385 Soluble
131 T B -0.6779 Soluble
132 K B -1.0972 Soluble
133 G B -1.1775 Soluble
134 P B -0.5390 Soluble
135 S B -0.2351 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B 0.0000 Buried
139 L B 0.0000 Buried
140 A B -1.2163 Soluble
141 P B 0.0000 Buried
142 S B -0.7242 Soluble
143 S B -0.6573 Soluble
144 G B -0.8552 Soluble
145 G B -0.9331 Soluble
146 T B -0.6504 Soluble
147 A B -0.3751 Soluble
148 A B 0.0000 Buried
149 L B 0.0000 Buried
150 G B 0.0000 Buried
151 C B 0.0000 Buried
152 L B 0.0000 Buried
153 V B 0.0000 Buried
154 K B 0.0000 Buried
155 D B -0.4092 Soluble
156 Y B 0.0000 Buried
157 F B 0.0000 Buried
158 P B 0.0000 Buried
159 E B -0.1981 Soluble
160 P B -0.3730 Soluble
161 V B -0.4023 Soluble
162 T B -0.3773 Soluble
163 V B -0.1383 Soluble
164 S B -0.3941 Soluble
165 W B 0.0000 Buried
166 N B -0.9661 Soluble
167 S B -0.7177 Soluble
168 G B -0.5932 Soluble
169 A B -0.2694 Soluble
170 L B -0.0315 Soluble
171 T B -0.1910 Soluble
172 S B -0.1936 Soluble
173 G B -0.2414 Soluble
174 V B 0.1681 Aggregation-prone
175 H B -0.3215 Soluble
176 T B 0.0271 Aggregation-prone
177 F B 0.0000 Buried
178 P B -0.2904 Soluble
179 A B 0.2687 Aggregation-prone
180 V B 0.5415 Aggregation-prone
181 L B 1.1198 Aggregation-prone
182 Q B 0.2513 Aggregation-prone
183 S B -0.0839 Soluble
184 S B -0.2362 Soluble
185 G B 0.0019 Aggregation-prone
186 L B 0.1331 Aggregation-prone
187 Y B 0.4838 Aggregation-prone
188 S B 0.0000 Buried
189 L B 0.0000 Buried
190 S B 0.0000 Buried
191 S B 0.0000 Buried
192 V B 0.0000 Buried
193 V B 0.0000 Buried
194 T B -0.1319 Soluble
195 V B 0.0000 Buried
196 P B -0.5731 Soluble
197 S B -0.6348 Soluble
198 S B -0.6404 Soluble
199 S B -0.6983 Soluble
200 L B -0.8238 Soluble
201 G B -0.9825 Soluble
202 T B -0.8209 Soluble
203 Q B -1.3689 Soluble
204 T B -1.1742 Soluble
205 Y B 0.0000 Buried
206 I B -1.2265 Soluble
207 C B 0.0000 Buried
208 N B -1.4848 Soluble
209 V B 0.0000 Buried
210 N B -1.5518 Soluble
211 H B 0.0000 Buried
212 K B -2.0804 Soluble
213 P B -1.2169 Soluble
214 S B -1.5300 Soluble
215 N B -2.2237 Soluble
216 T B -1.7869 Soluble
217 K B -2.4745 Soluble
218 V B -1.5749 Soluble
219 D B -2.4619 Soluble
220 K B -2.0850 Soluble
221 R B -2.5422 Soluble
222 V B 0.0000 Buried
223 E B -2.6701 Soluble
224 P B -1.8234 Soluble
225 K B -2.4411 Soluble
1 D A -1.3682 Soluble
2 I A 0.0000 Buried
3 L A 0.6312 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.2066 Soluble
6 Q A 0.0000 Buried
7 S A 0.2875 Aggregation-prone
8 P A 0.9724 Aggregation-prone
9 V A 2.1439 Aggregation-prone
10 I A 1.6416 Aggregation-prone
11 L A 0.6821 Aggregation-prone
12 S A -0.3336 Soluble
13 V A -1.1876 Soluble
14 S A -1.8540 Soluble
15 P A -2.0883 Soluble
16 G A -2.2325 Soluble
17 E A -2.9180 Soluble
18 R A -3.0300 Soluble
19 V A 0.0000 Buried
20 S A -0.7467 Soluble
21 F A 0.0000 Buried
22 S A -0.6351 Soluble
23 C A 0.0000 Buried
24 R A -2.0643 Soluble
25 A A 0.0000 Buried
26 S A -0.9745 Soluble
27 Q A -1.4517 Soluble
28 S A -1.5506 Soluble
29 I A 0.0000 Buried
36 G A -1.0167 Soluble
37 T A -0.7796 Soluble
38 N A -0.8749 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 -1.5356 Soluble
45 R A -2.3879 Soluble
46 T A -1.9872 Soluble
47 N A -1.9463 Soluble
48 G A -1.6767 Soluble
49 S A -1.0550 Soluble
50 P A 0.0000 Buried
51 R A -0.7027 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7907 Soluble
56 Y A -0.5731 Soluble
57 A A 0.0000 Buried
65 S A -1.1438 Soluble
66 E A -1.7707 Soluble
67 S A -1.0956 Soluble
68 I A -0.5117 Soluble
69 S A -0.3490 Soluble
70 G A -0.4786 Soluble
71 I A -0.2502 Soluble
72 P A -0.3426 Soluble
74 S A -0.5600 Soluble
75 R A -1.1050 Soluble
76 F A 0.0000 Buried
77 S A -0.8444 Soluble
78 G A -0.7076 Soluble
79 S A -0.8105 Soluble
80 G A -1.0026 Soluble
83 S A -1.0465 Soluble
84 G A -1.2670 Soluble
85 T A -1.7728 Soluble
86 D A -2.2903 Soluble
87 F A 0.0000 Buried
88 T A -0.7982 Soluble
89 L A 0.0000 Buried
90 S A -0.8876 Soluble
91 I A 0.0000 Buried
92 N A -2.3028 Soluble
93 S A -2.3736 Soluble
94 V A 0.0000 Buried
95 E A -2.6434 Soluble
96 S A -2.2017 Soluble
98 D A -1.3893 Soluble
99 I A -1.5028 Soluble
100 A A 0.0000 Buried
101 D A -1.1224 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 -0.7518 Soluble
108 N A -1.4957 Soluble
109 N A -1.1918 Soluble
114 W A -0.0370 Soluble
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0699 Soluble
118 F A 0.1977 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0326 Aggregation-prone
121 G A 0.1369 Aggregation-prone
122 T A 0.0000 Buried
123 K A -0.0906 Soluble
124 L A 0.0000 Buried
125 E A -1.0339 Soluble
126 L A 0.0000 Buried
127 K A -1.6577 Soluble
128 R A -1.2552 Soluble
129 T A -0.1268 Soluble
130 V A 0.3572 Aggregation-prone
131 A A 0.1272 Aggregation-prone
132 A A -0.1272 Soluble
133 P A 0.0000 Buried
134 S A -0.2112 Soluble
135 V A 0.0000 Buried
136 F A 0.0565 Aggregation-prone
137 I A 0.0837 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.5798 Soluble
140 P A 0.0000 Buried
141 S A -1.8658 Soluble
142 D A -3.1258 Soluble
143 E A -3.0005 Soluble
144 Q A 0.0000 Buried
145 L A -2.3181 Soluble
146 K A -2.7952 Soluble
147 S A -1.7310 Soluble
148 G A -1.2630 Soluble
149 T A -1.0290 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 -1.0180 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.7903 Soluble
162 R A -3.1431 Soluble
163 E A -3.2721 Soluble
164 A A -2.3546 Soluble
165 K A -2.3754 Soluble
166 V A -1.1697 Soluble
167 Q A -0.8397 Soluble
168 W A 0.0000 Buried
169 K A -0.6126 Soluble
170 V A 0.0000 Buried
171 D A -2.1134 Soluble
172 N A -1.6028 Soluble
173 A A -0.2814 Soluble
174 L A 0.7221 Aggregation-prone
175 Q A -0.1994 Soluble
176 S A -0.3996 Soluble
177 G A -0.9079 Soluble
178 N A -0.8330 Soluble
179 S A -1.0629 Soluble
180 Q A -1.2544 Soluble
181 E A -1.5611 Soluble
182 S A -0.8480 Soluble
183 V A -0.7995 Soluble
184 T A -1.1923 Soluble
185 E A -2.3603 Soluble
186 Q A 0.0000 Buried
187 D A -1.9253 Soluble
188 S A -2.1877 Soluble
189 K A -2.5976 Soluble
190 D A -1.9916 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 -0.5596 Soluble
199 L A 0.0000 Buried
200 T A -0.3031 Soluble
201 L A -0.6845 Soluble
202 S A -1.1007 Soluble
203 K A -2.1469 Soluble
204 A A -2.0023 Soluble
205 D A -2.7101 Soluble
206 Y A 0.0000 Buried
207 E A -3.7750 Soluble
208 K A -3.8049 Soluble
209 H A -3.3177 Soluble
210 K A -3.2473 Soluble
211 V A -1.5975 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -1.0206 Soluble
216 V A 0.0000 Buried
217 T A -1.2856 Soluble
218 H A 0.0000 Buried
219 Q A -1.5775 Soluble
220 G A -0.4053 Soluble
221 L A -0.2300 Soluble
222 S A -0.4645 Soluble
223 S A -0.4240 Soluble
224 P A -0.6372 Soluble
225 V A -0.0073 Soluble
226 T A -0.4354 Soluble
227 K A -0.5744 Soluble
228 S A -0.5752 Soluble
229 F A -0.7475 Soluble
230 N A -1.6987 Soluble
231 R A -2.3433 Soluble
232 G A -1.4056 Soluble
233 A A -0.7867 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 -0.6671 2.3214 CSV PDB
4.5 -0.7022 2.3218 CSV PDB
5.0 -0.7445 2.323 CSV PDB
5.5 -0.7855 2.3266 CSV PDB
6.0 -0.8156 2.3362 CSV PDB
6.5 -0.8271 2.3566 CSV PDB
7.0 -0.8193 2.3889 CSV PDB
7.5 -0.7979 2.4287 CSV PDB
8.0 -0.7689 2.4718 CSV PDB
8.5 -0.7345 2.516 CSV PDB
9.0 -0.6948 2.5604 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH