Cetuximab / 5esq

A4DAB063_5esq_D_C | Source PDB: 5esq | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6861
Max Score
2.1085
Min Score
-3.7321
Total Score
-289.55
Score CDR
-0.3049
Score non-CDR
-0.7328

Calculation Parameters

Chain Sequence(s) QVQLKQSGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSPVTKSFNRGA 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 -3.7321
Maximum Score 2.1085
Average Score -0.6861
Total Score -289.5477

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

Index Residue Chain A4D Score Classification
1 Q D -1.3560 Soluble
2 V D -0.6718 Soluble
3 Q D -1.2733 Soluble
4 L D 0.0000 Buried
5 K D -1.7198 Soluble
6 Q D 0.0000 Buried
7 S D -0.6958 Soluble
8 G D -0.6320 Soluble
9 L D -0.2480 Soluble
13 V D 0.0000 Buried
14 Q D -1.7617 Soluble
15 P D -1.6096 Soluble
16 S D -1.5777 Soluble
17 Q D -1.9343 Soluble
18 S D -1.6611 Soluble
19 L D 0.0000 Buried
20 S D -0.7142 Soluble
21 I D 0.0000 Buried
22 T D -0.3951 Soluble
23 C D 0.0000 Buried
24 T D -0.9357 Soluble
25 V D 0.0000 Buried
26 S D -0.8430 Soluble
27 G D -0.8759 Soluble
28 F D -0.4878 Soluble
29 S D -0.9444 Soluble
30 L D 0.0000 Buried
35 T D -0.9872 Soluble
36 N D -0.8812 Soluble
37 Y D 0.4766 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 -0.3330 Soluble
45 S D -0.9302 Soluble
46 P D -1.1069 Soluble
47 G D -1.7334 Soluble
48 K D -2.2284 Soluble
49 G D -1.0921 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 -0.5297 Soluble
58 S D -0.6930 Soluble
59 G D -1.1509 Soluble
63 G D -1.5789 Soluble
64 N D -1.8787 Soluble
65 T D -1.3643 Soluble
66 D D -1.0962 Soluble
67 Y D -0.4077 Soluble
68 N D 0.0000 Buried
69 T D -0.2987 Soluble
70 P D -0.3620 Soluble
71 F D 0.0000 Buried
72 T D -0.4692 Soluble
74 S D -0.6030 Soluble
75 R D -1.0756 Soluble
76 L D 0.0000 Buried
77 S D -1.1078 Soluble
78 I D 0.0000 Buried
79 N D -1.7458 Soluble
80 K D -1.5100 Soluble
81 D D -1.9470 Soluble
82 N D -2.5498 Soluble
83 S D -1.8788 Soluble
84 K D -2.4646 Soluble
85 S D -1.7496 Soluble
86 Q D -1.5108 Soluble
87 V D 0.0000 Buried
88 F D -0.1831 Soluble
89 F D 0.0000 Buried
90 K D -1.5588 Soluble
91 M D 0.0000 Buried
92 N D -1.8698 Soluble
93 S D -1.5268 Soluble
94 L D 0.0000 Buried
95 Q D -2.2392 Soluble
96 S D -1.6060 Soluble
97 N D -2.0955 Soluble
98 D D 0.0000 Buried
99 T D -0.5656 Soluble
100 A D 0.0000 Buried
101 I D 0.7832 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 1.0633 Aggregation-prone
109 T D 1.1876 Aggregation-prone
110 Y D 1.8859 Aggregation-prone
111 Y D 1.9914 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6838 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.0043 Aggregation-prone
117 Y D 0.0072 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6592 Soluble
121 G D -0.7538 Soluble
122 T D -0.1895 Soluble
124 V D 0.2561 Aggregation-prone
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -0.6366 Soluble
128 A D -0.4270 Soluble
129 A D -0.3494 Soluble
130 S D -0.5678 Soluble
131 T D -0.7173 Soluble
132 K D -1.3661 Soluble
133 G D -1.4876 Soluble
134 P D -0.6558 Soluble
135 S D -0.4464 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D 0.0000 Buried
139 L D 0.0000 Buried
140 A D -0.9388 Soluble
141 P D -0.5733 Soluble
142 S D -0.7148 Soluble
143 G D -0.6301 Soluble
144 T D -0.4794 Soluble
145 A D -0.2575 Soluble
146 A D 0.0000 Buried
147 L D 0.0000 Buried
148 G D 0.0000 Buried
149 C D 0.0000 Buried
150 L D 0.0000 Buried
151 V D 0.0000 Buried
152 K D 0.0000 Buried
153 D D -0.3963 Soluble
154 Y D 0.0000 Buried
155 F D 0.0000 Buried
156 P D 0.0000 Buried
157 E D -0.7318 Soluble
158 P D -0.9543 Soluble
159 V D -0.8326 Soluble
160 T D -0.7306 Soluble
161 V D -0.2525 Soluble
162 S D -0.4328 Soluble
163 W D 0.0000 Buried
164 N D -0.8869 Soluble
165 S D -0.6821 Soluble
166 G D -0.4636 Soluble
167 A D -0.2284 Soluble
168 L D -0.0002 Soluble
169 T D -0.1495 Soluble
170 S D -0.1637 Soluble
171 G D -0.1831 Soluble
172 V D 0.1615 Aggregation-prone
173 H D -0.2840 Soluble
174 T D 0.0123 Aggregation-prone
175 F D 0.0000 Buried
176 P D -0.2994 Soluble
177 A D 0.1936 Aggregation-prone
178 V D 0.5571 Aggregation-prone
179 L D 1.2874 Aggregation-prone
180 Q D 0.3495 Aggregation-prone
181 S D -0.0514 Soluble
182 S D -0.1666 Soluble
183 G D 0.1191 Aggregation-prone
184 L D 0.1613 Aggregation-prone
185 Y D 0.4411 Aggregation-prone
186 S D 0.0000 Buried
187 L D 0.0000 Buried
188 S D 0.0000 Buried
189 S D 0.0000 Buried
190 V D 0.0000 Buried
191 V D 0.0000 Buried
192 T D -0.1272 Soluble
193 V D 0.0000 Buried
194 P D -0.5905 Soluble
195 S D -0.5156 Soluble
196 S D -0.6236 Soluble
197 S D -0.6717 Soluble
198 L D -0.7121 Soluble
199 G D -0.9163 Soluble
200 T D -0.8223 Soluble
201 Q D -1.3521 Soluble
202 T D -1.1750 Soluble
203 Y D 0.0000 Buried
204 I D -1.3612 Soluble
205 C D 0.0000 Buried
206 N D -1.5251 Soluble
207 V D 0.0000 Buried
208 N D -2.2130 Soluble
209 H D 0.0000 Buried
210 K D -2.9060 Soluble
211 P D -1.7323 Soluble
212 S D -1.9198 Soluble
213 N D -2.6736 Soluble
214 T D -2.1705 Soluble
215 K D -2.8000 Soluble
216 V D -1.6245 Soluble
217 D D -2.5879 Soluble
218 K D -2.1533 Soluble
219 R D -2.4719 Soluble
220 V D 0.0000 Buried
221 E D -2.0279 Soluble
222 P D -1.4504 Soluble
223 K D -2.0251 Soluble
1 D C -1.4429 Soluble
2 I C 0.0000 Buried
3 L C 0.6151 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3506 Soluble
6 Q C 0.0000 Buried
7 S C 0.2162 Aggregation-prone
8 P C 0.9773 Aggregation-prone
9 V C 2.1085 Aggregation-prone
10 I C 1.7454 Aggregation-prone
11 L C 0.7597 Aggregation-prone
12 S C -0.1240 Soluble
13 V C -1.1617 Soluble
14 S C -1.7513 Soluble
15 P C -2.0160 Soluble
16 G C -2.1205 Soluble
17 E C -2.8067 Soluble
18 R C -3.0439 Soluble
19 V C 0.0000 Buried
20 S C -0.8996 Soluble
21 F C 0.0000 Buried
22 S C -0.7611 Soluble
23 C C 0.0000 Buried
24 R C -2.3691 Soluble
25 A C -1.2977 Soluble
26 S C -0.9877 Soluble
27 Q C -1.5952 Soluble
28 S C -1.4843 Soluble
29 I C 0.0000 Buried
36 G C -0.9798 Soluble
37 T C -0.7479 Soluble
38 N C -0.7776 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 -1.9534 Soluble
45 R C -2.8096 Soluble
46 T C -1.9938 Soluble
47 N C -2.0034 Soluble
48 G C -1.9409 Soluble
49 S C -1.3906 Soluble
50 P C 0.0000 Buried
51 R C -1.9375 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7134 Soluble
56 Y C -0.5434 Soluble
57 A C 0.0000 Buried
65 S C -1.1379 Soluble
66 E C -1.7155 Soluble
67 S C -1.0645 Soluble
68 I C -0.4744 Soluble
69 S C -0.3471 Soluble
70 G C -0.4809 Soluble
71 I C -0.3984 Soluble
72 P C -0.3568 Soluble
74 S C -0.5103 Soluble
75 R C -0.9467 Soluble
76 F C 0.0000 Buried
77 S C -0.8083 Soluble
78 G C -0.7285 Soluble
79 S C -0.8055 Soluble
80 G C -0.8356 Soluble
83 S C -0.8913 Soluble
84 G C -1.2726 Soluble
85 T C -1.8065 Soluble
86 D C -2.3292 Soluble
87 F C 0.0000 Buried
88 T C -0.8447 Soluble
89 L C 0.0000 Buried
90 S C -0.8234 Soluble
91 I C 0.0000 Buried
92 N C -1.9845 Soluble
93 S C -2.0916 Soluble
94 V C 0.0000 Buried
95 E C -2.5780 Soluble
96 S C -2.0989 Soluble
98 D C -1.3579 Soluble
99 I C -1.4631 Soluble
100 A C 0.0000 Buried
101 D C -0.7819 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 -0.5713 Soluble
108 N C -1.1791 Soluble
109 N C -1.0665 Soluble
114 W C 0.1195 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C 0.0105 Aggregation-prone
118 F C 0.2167 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0943 Aggregation-prone
121 G C 0.2453 Aggregation-prone
122 T C 0.0000 Buried
123 K C 0.0974 Aggregation-prone
124 L C 0.0000 Buried
125 E C -0.9524 Soluble
126 L C 0.0000 Buried
127 K C -1.5708 Soluble
128 R C -1.0910 Soluble
129 T C 0.0707 Aggregation-prone
130 V C 0.6977 Aggregation-prone
131 A C 0.3321 Aggregation-prone
132 A C 0.0560 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1663 Soluble
135 V C 0.0000 Buried
136 F C 0.0867 Aggregation-prone
137 I C 0.0191 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5063 Soluble
140 P C -0.8083 Soluble
141 S C -1.8619 Soluble
142 D C -2.9623 Soluble
143 E C -3.0379 Soluble
144 Q C 0.0000 Buried
145 L C -2.3463 Soluble
146 K C -2.7954 Soluble
147 S C -1.7226 Soluble
148 G C -1.3910 Soluble
149 T C -1.0518 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 -0.9585 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.6880 Soluble
162 R C -3.0812 Soluble
163 E C -3.2904 Soluble
164 A C -2.3842 Soluble
165 K C -2.6930 Soluble
166 V C -1.2935 Soluble
167 Q C -0.8654 Soluble
168 W C 0.0000 Buried
169 K C -0.9377 Soluble
170 V C 0.0000 Buried
171 D C -2.1203 Soluble
172 N C -1.7170 Soluble
173 A C -0.5522 Soluble
174 L C 0.1830 Aggregation-prone
175 Q C -0.3604 Soluble
176 S C -0.5241 Soluble
177 G C -0.9110 Soluble
178 N C -0.8578 Soluble
179 S C -1.2424 Soluble
180 Q C -1.5244 Soluble
181 E C -2.2332 Soluble
182 S C -0.9222 Soluble
183 V C -0.8436 Soluble
184 T C -1.0078 Soluble
185 E C -2.0010 Soluble
186 Q C 0.0000 Buried
187 D C -1.8990 Soluble
188 S C -2.1807 Soluble
189 K C -2.6033 Soluble
190 D C -2.0104 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 -0.7028 Soluble
199 L C 0.0000 Buried
200 T C -0.4610 Soluble
201 L C -0.6914 Soluble
202 S C -1.2413 Soluble
203 K C -2.1051 Soluble
204 A C -1.9920 Soluble
205 D C -2.5965 Soluble
206 Y C 0.0000 Buried
207 E C -3.6166 Soluble
208 K C -3.7321 Soluble
209 H C -3.0642 Soluble
210 K C -3.0553 Soluble
211 V C -1.3191 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -1.0431 Soluble
216 V C 0.0000 Buried
217 T C -1.2069 Soluble
218 H C 0.0000 Buried
219 Q C -1.6563 Soluble
220 G C -0.2076 Soluble
221 L C -0.0078 Soluble
222 S C -0.2979 Soluble
224 P C -0.4692 Soluble
225 V C -0.0715 Soluble
226 T C -0.5946 Soluble
227 K C -0.8118 Soluble
228 S C -0.6030 Soluble
229 F C -0.6474 Soluble
230 N C -1.4716 Soluble
231 R C -2.0653 Soluble
232 G C -1.3343 Soluble
233 A C -0.8984 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
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 -0.7239 2.5147 CSV PDB
4.5 -0.761 2.4412 CSV PDB
5.0 -0.8039 2.3599 CSV PDB
5.5 -0.8441 2.2757 CSV PDB
6.0 -0.8715 2.2387 CSV PDB
6.5 -0.8786 2.255 CSV PDB
7.0 -0.8657 2.279 CSV PDB
7.5 -0.8394 2.307 CSV PDB
8.0 -0.8054 2.3371 CSV PDB
8.5 -0.7657 2.369 CSV PDB
9.0 -0.7205 2.4031 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH