Cetuximab / 5icx

A4DAB063_5icx_D_C | Source PDB: 5icx | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.651
Max Score
1.9774
Min Score
-3.503
Total Score
-275.36
Score CDR
-0.2981
Score non-CDR
-0.694

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) D (Heavy), C (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 -3.503
Maximum Score 1.9774
Average Score -0.651
Total Score -275.3643

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

Index Residue Chain A4D Score Classification
1 Q D -1.2985 Soluble
2 V D -0.5444 Soluble
3 Q D -1.2092 Soluble
4 L D 0.0000 Buried
5 K D -2.0475 Soluble
6 Q D 0.0000 Buried
7 S D -0.8130 Soluble
8 G D -1.1490 Soluble
9 P D -0.4957 Soluble
11 G D -0.4022 Soluble
12 L D -0.0722 Soluble
13 V D -0.8234 Soluble
14 Q D -1.7029 Soluble
15 P D -1.5562 Soluble
16 S D -1.5346 Soluble
17 Q D -1.8178 Soluble
18 S D -1.4690 Soluble
19 L D 0.0000 Buried
20 S D -0.5202 Soluble
21 I D 0.0000 Buried
22 T D -0.4696 Soluble
23 C D 0.0000 Buried
24 T D -1.0397 Soluble
25 V D 0.0000 Buried
26 S D -1.0316 Soluble
27 G D -0.8153 Soluble
28 F D -0.4327 Soluble
29 S D -0.8386 Soluble
30 L D 0.0000 Buried
35 T D -0.8908 Soluble
36 N D -0.8421 Soluble
37 Y D 0.4700 Aggregation-prone
38 G D 0.0000 Buried
39 V D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.5117 Soluble
45 S D -1.0446 Soluble
46 P D -1.1802 Soluble
47 G D -1.7390 Soluble
48 K D -2.2474 Soluble
49 G D -1.1796 Soluble
50 L D 0.0000 Buried
51 E D 0.0000 Buried
52 W D 0.0000 Buried
53 L D 0.0000 Buried
54 G D 0.0000 Buried
55 V D 0.0000 Buried
56 I D 0.0000 Buried
57 W D -0.5438 Soluble
58 S D -0.6659 Soluble
59 G D -1.1523 Soluble
63 G D -1.6191 Soluble
64 N D -1.8562 Soluble
65 T D -1.3073 Soluble
66 D D -1.0594 Soluble
67 Y D -0.4049 Soluble
68 N D -0.2011 Soluble
69 T D -0.3489 Soluble
70 P D -0.3898 Soluble
71 F D 0.0000 Buried
72 T D -0.4612 Soluble
74 S D -0.5318 Soluble
75 R D -0.8644 Soluble
76 L D 0.0000 Buried
77 S D -0.8788 Soluble
78 I D 0.0000 Buried
79 N D -1.6765 Soluble
80 K D -1.4522 Soluble
81 D D -1.7745 Soluble
82 N D -2.1553 Soluble
83 S D -1.6847 Soluble
84 K D -2.3647 Soluble
85 S D -1.5768 Soluble
86 Q D -1.5013 Soluble
87 V D 0.0000 Buried
88 F D -0.1965 Soluble
89 F D 0.0000 Buried
90 K D -1.2058 Soluble
91 M D 0.0000 Buried
92 N D -1.4829 Soluble
93 S D -1.3972 Soluble
94 L D 0.0000 Buried
95 Q D -2.1798 Soluble
96 S D -1.5873 Soluble
97 N D -2.0836 Soluble
98 D D 0.0000 Buried
99 T D -0.6499 Soluble
100 A D 0.0000 Buried
101 I D 0.3606 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 A D 0.0000 Buried
108 L D 1.0343 Aggregation-prone
109 T D 1.1626 Aggregation-prone
110 Y D 1.8650 Aggregation-prone
111 Y D 1.9497 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.0000 Buried
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2179 Aggregation-prone
117 Y D 0.2934 Aggregation-prone
118 W D -0.3864 Soluble
119 G D 0.0000 Buried
120 Q D -1.7666 Soluble
121 G D -0.9237 Soluble
122 T D 0.0000 Buried
123 L D 0.1516 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3478 Soluble
126 V D 0.0000 Buried
127 S D -0.7532 Soluble
128 A D -0.3992 Soluble
129 A D -0.3864 Soluble
130 S D -0.6583 Soluble
131 T D -0.9559 Soluble
132 K D -1.7525 Soluble
133 G D -1.6918 Soluble
134 P D -0.7496 Soluble
135 S D -0.2805 Soluble
136 V D 0.0000 Buried
137 F D -0.2740 Soluble
138 P D -1.0102 Soluble
139 L D 0.0000 Buried
140 A D -1.1198 Soluble
141 G D -0.6347 Soluble
142 T D -0.4793 Soluble
143 A D -0.2314 Soluble
144 A D -0.0233 Soluble
145 L D 0.0000 Buried
146 G D 0.0000 Buried
147 C D 0.0000 Buried
148 L D 0.0000 Buried
149 V D 0.0000 Buried
150 K D 0.0000 Buried
151 D D -0.6138 Soluble
152 Y D 0.0000 Buried
153 F D 0.0000 Buried
154 P D 0.0000 Buried
155 E D -0.2512 Soluble
156 P D -0.4672 Soluble
157 V D -0.5716 Soluble
158 T D -0.5310 Soluble
159 V D -0.3534 Soluble
160 S D -0.4298 Soluble
161 W D 0.0000 Buried
162 N D -0.8021 Soluble
163 S D -0.6819 Soluble
164 G D -0.5411 Soluble
165 A D -0.2501 Soluble
166 L D -0.0281 Soluble
167 T D -0.1871 Soluble
168 S D -0.1940 Soluble
169 G D -0.2231 Soluble
170 V D 0.1479 Aggregation-prone
171 H D -0.2863 Soluble
172 T D -0.0109 Soluble
173 F D 0.0000 Buried
174 P D -0.3159 Soluble
175 A D 0.2318 Aggregation-prone
176 V D 0.5056 Aggregation-prone
177 L D 1.1419 Aggregation-prone
178 Q D 0.2522 Aggregation-prone
179 S D -0.0832 Soluble
180 S D -0.2594 Soluble
181 G D -0.0258 Soluble
182 L D 0.0532 Aggregation-prone
183 Y D 0.3964 Aggregation-prone
184 S D 0.0000 Buried
185 L D 0.0000 Buried
186 S D 0.0000 Buried
187 S D 0.0000 Buried
188 V D 0.0000 Buried
189 V D 0.0000 Buried
190 T D -0.1382 Soluble
191 V D 0.0000 Buried
192 P D -0.4787 Soluble
193 S D -0.5135 Soluble
194 S D -0.5816 Soluble
195 S D -0.5543 Soluble
196 L D -0.8329 Soluble
197 G D -0.9939 Soluble
198 T D -0.6639 Soluble
199 Q D -1.1032 Soluble
200 T D -1.1326 Soluble
201 Y D 0.0000 Buried
202 I D -1.4352 Soluble
203 C D 0.0000 Buried
204 N D -1.5178 Soluble
205 V D 0.0000 Buried
206 N D -1.9823 Soluble
207 H D 0.0000 Buried
208 K D -2.6342 Soluble
209 P D -1.5792 Soluble
210 S D -1.9051 Soluble
211 N D -2.6195 Soluble
212 T D -2.1128 Soluble
213 K D -2.6665 Soluble
214 V D -1.5816 Soluble
215 D D -2.5665 Soluble
216 K D -2.2450 Soluble
217 R D -2.6795 Soluble
218 V D 0.0000 Buried
219 E D -2.8929 Soluble
220 P D -1.9274 Soluble
221 K D -2.4429 Soluble
1 D C -1.3238 Soluble
2 I C 0.0000 Buried
3 L C 0.6081 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3470 Soluble
6 Q C 0.0000 Buried
7 S C 0.1368 Aggregation-prone
8 P C 0.9009 Aggregation-prone
9 V C 1.9774 Aggregation-prone
10 I C 1.5166 Aggregation-prone
11 L C 0.6114 Aggregation-prone
12 S C -0.1415 Soluble
13 V C -1.0942 Soluble
14 S C -1.6493 Soluble
15 P C -1.8447 Soluble
16 G C -2.0586 Soluble
17 E C -2.8667 Soluble
18 R C -3.0739 Soluble
19 V C 0.0000 Buried
20 S C -0.9324 Soluble
21 F C 0.0000 Buried
22 S C -0.7888 Soluble
23 C C 0.0000 Buried
24 R C -2.3899 Soluble
25 A C 0.0000 Buried
26 S C -0.9453 Soluble
27 Q C -1.3042 Soluble
28 S C -1.4002 Soluble
29 I C 0.0000 Buried
36 G C -1.0057 Soluble
37 T C -0.7565 Soluble
38 N C -0.8126 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -1.3113 Soluble
45 R C -1.9639 Soluble
46 T C -1.6847 Soluble
47 N C -1.8129 Soluble
48 G C -1.5296 Soluble
49 S C -0.9882 Soluble
50 P C 0.0000 Buried
51 R C -0.7052 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7247 Soluble
56 Y C -0.5646 Soluble
57 A C 0.0000 Buried
65 S C -1.2073 Soluble
66 E C -1.8877 Soluble
67 S C -1.1461 Soluble
68 I C -0.5158 Soluble
69 S C -0.3545 Soluble
70 G C -0.4749 Soluble
71 I C -0.2783 Soluble
72 P C -0.3560 Soluble
74 S C -0.6090 Soluble
75 R C -1.0360 Soluble
76 F C 0.0000 Buried
77 S C -0.9120 Soluble
78 G C -0.7521 Soluble
79 S C -0.8048 Soluble
80 G C -1.0250 Soluble
83 S C -0.8642 Soluble
84 G C -1.2346 Soluble
85 T C -1.7951 Soluble
86 D C -2.2955 Soluble
87 F C 0.0000 Buried
88 T C -0.8650 Soluble
89 L C 0.0000 Buried
90 S C -0.9589 Soluble
91 I C 0.0000 Buried
92 N C -2.4057 Soluble
93 S C -2.1733 Soluble
94 V C 0.0000 Buried
95 E C -2.2827 Soluble
96 S C 0.0000 Buried
97 E C -2.2467 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C 0.0000 Buried
101 D C -0.8526 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 N C -0.7201 Soluble
108 N C -1.2205 Soluble
109 N C -0.8982 Soluble
114 W C 0.1721 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.0250 Soluble
118 F C 0.1934 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0471 Aggregation-prone
121 G C 0.1367 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.2063 Soluble
124 L C 0.0000 Buried
125 E C -1.0423 Soluble
126 L C 0.0000 Buried
127 K C -1.4405 Soluble
128 R C -0.9984 Soluble
129 T C 0.2079 Aggregation-prone
130 V C 0.9917 Aggregation-prone
131 A C 0.4626 Aggregation-prone
132 A C 0.0545 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1378 Soluble
135 V C 0.0000 Buried
136 F C 0.1106 Aggregation-prone
137 I C 0.1363 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.4762 Soluble
140 P C 0.0000 Buried
141 S C -1.2219 Soluble
142 D C -2.2629 Soluble
144 Q C 0.0000 Buried
145 L C -1.6784 Soluble
146 K C -2.2508 Soluble
147 S C -1.3965 Soluble
148 G C -1.0563 Soluble
149 T C -0.8255 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.8211 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.5972 Soluble
162 R C -2.8747 Soluble
163 E C -3.1948 Soluble
164 A C -2.1732 Soluble
165 K C -2.2242 Soluble
166 V C -1.0796 Soluble
167 Q C -0.7263 Soluble
168 W C 0.0000 Buried
169 K C -0.7823 Soluble
170 V C 0.0000 Buried
171 D C -2.0779 Soluble
172 N C -1.6675 Soluble
173 A C -0.4092 Soluble
174 L C 0.4591 Aggregation-prone
175 Q C -0.2439 Soluble
176 S C -0.4587 Soluble
177 G C -0.8728 Soluble
178 N C -0.7757 Soluble
179 S C -1.1289 Soluble
180 Q C -1.3847 Soluble
181 E C -2.1059 Soluble
182 S C -1.0187 Soluble
183 V C -1.0593 Soluble
184 T C -1.0415 Soluble
185 E C -2.0257 Soluble
186 Q C 0.0000 Buried
187 D C -1.8769 Soluble
188 S C -2.2929 Soluble
189 K C -2.5755 Soluble
190 D C -1.8309 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6779 Soluble
199 L C 0.0000 Buried
200 T C -0.2946 Soluble
201 L C -0.6350 Soluble
202 S C -1.0044 Soluble
203 K C -1.9047 Soluble
204 A C -1.7737 Soluble
205 D C -2.4989 Soluble
206 Y C 0.0000 Buried
207 E C -3.1813 Soluble
208 K C -3.5030 Soluble
209 H C -3.1610 Soluble
210 K C -3.2484 Soluble
211 V C -1.7168 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9439 Soluble
216 V C 0.0000 Buried
217 T C -1.0887 Soluble
218 H C 0.0000 Buried
219 Q C -1.5940 Soluble
220 G C -0.2439 Soluble
221 L C -0.2041 Soluble
222 S C -0.5014 Soluble
223 S C -0.4226 Soluble
224 P C -0.5034 Soluble
225 V C -0.0331 Soluble
226 T C -0.5398 Soluble
227 K C -0.7668 Soluble
228 S C -0.7256 Soluble
229 F C -0.9317 Soluble
230 N C -2.1073 Soluble
231 R C -2.4129 Soluble
232 G C -1.4855 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 -0.6805 2.6737 CSV PDB
4.5 -0.7146 2.6099 CSV PDB
5.0 -0.7547 2.5351 CSV PDB
5.5 -0.7925 2.4558 CSV PDB
6.0 -0.8185 2.3751 CSV PDB
6.5 -0.8247 2.2939 CSV PDB
7.0 -0.8109 2.2129 CSV PDB
7.5 -0.7843 2.1518 CSV PDB
8.0 -0.7511 2.1513 CSV PDB
8.5 -0.7133 2.1496 CSV PDB
9.0 -0.6706 2.1442 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH