Cetuximab / 5ff6

A4DAB063_5ff6_D_C | Source PDB: 5ff6 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6898
Max Score
1.9889
Min Score
-3.2546
Total Score
-292.48
Score CDR
-0.2901
Score non-CDR
-0.7385

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.2546
Maximum Score 1.9889
Average Score -0.6898
Total Score -292.4809

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

Index Residue Chain A4D Score Classification
1 Q D -1.2849 Soluble
2 V D -0.5363 Soluble
3 Q D -1.0453 Soluble
4 L D 0.0000 Buried
5 K D -1.5715 Soluble
6 Q D 0.0000 Buried
7 S D -0.6537 Soluble
8 G D -0.9812 Soluble
9 P D -0.4675 Soluble
11 G D -0.3853 Soluble
12 L D 0.0552 Aggregation-prone
13 V D -0.6384 Soluble
14 Q D -1.2945 Soluble
15 P D -1.4036 Soluble
16 S D -1.5634 Soluble
17 Q D -1.8575 Soluble
18 S D -1.6632 Soluble
19 L D 0.0000 Buried
20 S D -0.7083 Soluble
21 I D 0.0000 Buried
22 T D -0.4109 Soluble
23 C D 0.0000 Buried
24 T D -0.8711 Soluble
25 V D 0.0000 Buried
26 S D -0.7242 Soluble
27 G D -0.7841 Soluble
28 F D -0.4173 Soluble
29 S D -0.8447 Soluble
30 L D 0.0000 Buried
35 T D -0.9083 Soluble
36 N D -0.8330 Soluble
37 Y D 0.4901 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 -0.5302 Soluble
45 S D -1.0337 Soluble
46 P D -1.1893 Soluble
47 G D -1.7597 Soluble
48 K D -2.3138 Soluble
49 G D -1.2938 Soluble
50 L D 0.0000 Buried
51 E D -0.6779 Soluble
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 -0.5052 Soluble
58 S D -0.6335 Soluble
59 G D -1.2257 Soluble
63 G D -1.5530 Soluble
64 N D -1.8577 Soluble
65 T D -1.3057 Soluble
66 D D -1.0259 Soluble
67 Y D -0.4797 Soluble
68 N D -0.2183 Soluble
69 T D -0.2193 Soluble
70 P D -0.4670 Soluble
71 F D 0.0000 Buried
72 T D -0.6130 Soluble
75 R D -1.8602 Soluble
76 L D 0.0000 Buried
77 S D -1.2437 Soluble
78 I D 0.0000 Buried
79 N D -1.7342 Soluble
80 K D -1.4642 Soluble
81 D D -1.8137 Soluble
82 N D -2.2344 Soluble
83 S D -1.6910 Soluble
84 K D -2.3676 Soluble
85 S D -1.5666 Soluble
86 Q D -1.4578 Soluble
87 V D 0.0000 Buried
88 F D -0.2405 Soluble
89 F D 0.0000 Buried
90 K D -1.7699 Soluble
92 N D -2.5167 Soluble
93 S D -1.8538 Soluble
94 L D 0.0000 Buried
95 Q D -2.2131 Soluble
96 S D -1.5593 Soluble
97 N D -2.1162 Soluble
98 D D 0.0000 Buried
99 T D -0.6341 Soluble
100 A D 0.0000 Buried
101 I D 0.5440 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 1.1359 Aggregation-prone
109 T D 1.2085 Aggregation-prone
110 Y D 1.8925 Aggregation-prone
111 Y D 1.9889 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6253 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2808 Aggregation-prone
117 Y D 0.2556 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6382 Soluble
121 G D -0.8077 Soluble
122 T D 0.0000 Buried
123 L D 0.2334 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2760 Soluble
126 V D 0.0000 Buried
127 S D -0.5937 Soluble
128 A D -0.2577 Soluble
129 A D -0.2579 Soluble
130 S D -0.4822 Soluble
131 T D -0.6603 Soluble
132 K D -1.3940 Soluble
133 G D -1.5169 Soluble
134 P D 0.0000 Buried
135 S D -0.4010 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.2800 Soluble
139 L D 0.0000 Buried
140 A D -1.1957 Soluble
141 P D -0.7664 Soluble
142 S D -0.8328 Soluble
143 G D -0.6419 Soluble
144 T D -0.4851 Soluble
145 A D 0.0000 Buried
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 -0.5184 Soluble
154 Y D 0.0000 Buried
155 F D 0.0000 Buried
156 P D 0.0000 Buried
157 E D -0.4832 Soluble
158 P D -0.6950 Soluble
159 V D -0.8024 Soluble
160 T D -0.7294 Soluble
161 V D -0.4685 Soluble
162 S D -0.4626 Soluble
163 W D 0.0000 Buried
164 N D -0.7803 Soluble
165 S D -0.6740 Soluble
166 G D -0.5141 Soluble
167 A D -0.2277 Soluble
168 L D 0.0011 Aggregation-prone
169 T D -0.1880 Soluble
170 S D -0.2242 Soluble
171 G D -0.3128 Soluble
172 V D 0.1048 Aggregation-prone
173 H D -0.3601 Soluble
174 T D -0.0347 Soluble
175 F D 0.0000 Buried
176 P D -0.4037 Soluble
177 A D 0.1666 Aggregation-prone
178 V D 0.4573 Aggregation-prone
179 L D 1.0099 Aggregation-prone
180 Q D 0.2037 Aggregation-prone
181 S D -0.1017 Soluble
182 S D -0.2706 Soluble
183 G D -0.0559 Soluble
184 L D 0.0336 Aggregation-prone
185 Y D 0.3147 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 -0.1633 Soluble
193 V D 0.0000 Buried
194 P D -0.4870 Soluble
195 S D -0.5396 Soluble
196 S D -0.5981 Soluble
197 S D -0.5738 Soluble
198 L D -0.8554 Soluble
199 G D -0.9983 Soluble
200 T D -0.6972 Soluble
201 Q D -1.1595 Soluble
202 T D -1.1611 Soluble
203 Y D 0.0000 Buried
204 I D -1.3568 Soluble
205 C D 0.0000 Buried
206 N D -1.5660 Soluble
207 V D 0.0000 Buried
208 N D -2.3422 Soluble
209 H D 0.0000 Buried
210 K D -2.9292 Soluble
211 P D -1.6958 Soluble
212 S D -1.9108 Soluble
213 N D -2.7046 Soluble
214 T D -2.2021 Soluble
215 K D -2.8326 Soluble
216 V D -1.6685 Soluble
217 D D -2.5774 Soluble
218 K D -2.1981 Soluble
219 R D -2.6515 Soluble
220 V D 0.0000 Buried
221 E D -2.8670 Soluble
222 P D -1.9104 Soluble
223 K D -2.2624 Soluble
1 D C -1.4433 Soluble
2 I C 0.0000 Buried
3 L C 0.5638 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3693 Soluble
6 Q C 0.0000 Buried
7 S C 0.1332 Aggregation-prone
8 P C 0.7799 Aggregation-prone
9 V C 1.8089 Aggregation-prone
10 I C 1.1675 Aggregation-prone
11 L C 0.3112 Aggregation-prone
12 S C -0.4784 Soluble
13 V C 0.0000 Buried
14 S C -1.8311 Soluble
15 P C -2.0086 Soluble
16 G C -2.0863 Soluble
17 E C -2.9209 Soluble
18 R C -3.0191 Soluble
19 V C 0.0000 Buried
20 S C -0.9245 Soluble
21 F C 0.0000 Buried
22 S C -0.8423 Soluble
23 C C 0.0000 Buried
24 R C -2.5403 Soluble
25 A C 0.0000 Buried
26 S C -1.1399 Soluble
27 Q C -1.7709 Soluble
28 S C -1.6144 Soluble
29 I C 0.0000 Buried
36 G C -1.0172 Soluble
37 T C -0.7672 Soluble
38 N C -0.7709 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 -1.3074 Soluble
45 R C -2.0305 Soluble
46 T C -1.7398 Soluble
47 N C -1.8432 Soluble
48 G C -1.5838 Soluble
49 S C -1.0403 Soluble
50 P C 0.0000 Buried
51 R C -0.7511 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.6911 Soluble
56 Y C -0.5685 Soluble
57 A C 0.0000 Buried
65 S C -1.1956 Soluble
66 E C -1.8376 Soluble
67 S C -1.1192 Soluble
68 I C -0.4821 Soluble
69 S C -0.3486 Soluble
70 G C -0.4825 Soluble
71 I C -0.2908 Soluble
72 P C -0.3879 Soluble
74 S C -0.5941 Soluble
75 R C -1.0910 Soluble
76 F C 0.0000 Buried
77 S C -0.8792 Soluble
78 G C -0.7371 Soluble
79 S C -0.8709 Soluble
80 G C -1.1149 Soluble
83 S C -0.9589 Soluble
84 G C -1.3699 Soluble
85 T C -2.0159 Soluble
86 D C -2.6492 Soluble
87 F C 0.0000 Buried
88 T C -0.9243 Soluble
89 L C 0.0000 Buried
90 S C -0.8996 Soluble
91 I C 0.0000 Buried
92 N C -2.1299 Soluble
93 S C -2.1135 Soluble
94 V C 0.0000 Buried
95 E C -2.4700 Soluble
96 S C -2.4798 Soluble
97 E C -2.5216 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C -1.5339 Soluble
101 D C -0.8281 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 -0.6055 Soluble
108 N C -1.1416 Soluble
109 N C -0.9618 Soluble
114 W C 0.1291 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.0673 Soluble
118 F C 0.1718 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0293 Aggregation-prone
121 G C 0.0502 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.8577 Soluble
124 L C 0.0000 Buried
125 E C -1.5235 Soluble
126 L C 0.0000 Buried
127 K C -1.6865 Soluble
128 R C -1.2520 Soluble
129 T C -0.0837 Soluble
130 V C 0.4422 Aggregation-prone
131 A C 0.1797 Aggregation-prone
132 A C -0.0762 Soluble
133 P C 0.0000 Buried
134 S C -0.1736 Soluble
135 V C 0.0000 Buried
136 F C 0.1614 Aggregation-prone
137 I C 0.1110 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5148 Soluble
140 P C -0.7509 Soluble
141 S C -1.7134 Soluble
142 D C -2.7081 Soluble
143 E C -2.5009 Soluble
144 Q C 0.0000 Buried
145 L C -2.1682 Soluble
146 K C -2.6430 Soluble
147 S C -1.6366 Soluble
148 G C -1.2781 Soluble
149 T C -0.9535 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 -0.9798 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7510 Soluble
162 R C -2.9830 Soluble
163 E C -3.2546 Soluble
164 A C -2.3548 Soluble
165 K C -2.3056 Soluble
166 V C -1.2327 Soluble
167 Q C -0.8354 Soluble
168 W C 0.0000 Buried
169 K C -0.7359 Soluble
170 V C 0.0000 Buried
171 D C -1.8591 Soluble
172 N C -1.5672 Soluble
173 A C -0.4142 Soluble
174 L C 0.3041 Aggregation-prone
175 Q C -0.2995 Soluble
176 S C -0.4789 Soluble
177 G C -0.8756 Soluble
178 N C -0.7811 Soluble
179 S C -1.1526 Soluble
180 Q C -1.4130 Soluble
181 E C -1.9750 Soluble
182 S C -1.0746 Soluble
183 V C -1.1574 Soluble
184 T C -1.2286 Soluble
185 E C -2.3631 Soluble
186 Q C 0.0000 Buried
187 D C -2.0451 Soluble
188 S C -2.5015 Soluble
189 K C -2.7829 Soluble
190 D C -2.2125 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 -0.7165 Soluble
199 L C 0.0000 Buried
200 T C -0.4964 Soluble
201 L C -0.8666 Soluble
202 S C -1.2997 Soluble
203 K C -2.0930 Soluble
204 A C -1.8961 Soluble
205 D C -2.7333 Soluble
206 Y C 0.0000 Buried
207 E C -3.2225 Soluble
209 H C -2.8557 Soluble
210 K C -2.9521 Soluble
211 V C -1.5015 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9848 Soluble
216 V C 0.0000 Buried
217 T C -1.2555 Soluble
218 H C 0.0000 Buried
219 Q C -1.7246 Soluble
220 G C -0.3734 Soluble
221 L C -0.1946 Soluble
222 S C -0.4509 Soluble
223 S C -0.4326 Soluble
224 P C -0.6097 Soluble
225 V C -0.1627 Soluble
226 T C -0.5395 Soluble
227 K C -0.6364 Soluble
228 S C -0.4900 Soluble
229 F C -0.6363 Soluble
230 N C -1.5771 Soluble
231 R C -1.9794 Soluble
232 G C -1.3116 Soluble
233 A C -0.7045 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 -0.6953 2.7013 CSV PDB
4.5 -0.7335 2.6423 CSV PDB
5.0 -0.779 2.5671 CSV PDB
5.5 -0.8222 2.4845 CSV PDB
6.0 -0.8526 2.3992 CSV PDB
6.5 -0.8628 2.3132 CSV PDB
7.0 -0.8527 2.227 CSV PDB
7.5 -0.8294 2.2038 CSV PDB
8.0 -0.7988 2.2032 CSV PDB
8.5 -0.7627 2.2013 CSV PDB
9.0 -0.7214 2.2341 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH