Cetuximab / 5hyq

A4DAB063_5hyq_D_C | Source PDB: 5hyq | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6529
Max Score
2.0022
Min Score
-3.5075
Total Score
-278.14
Score CDR
-0.3068
Score non-CDR
-0.6948

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5075
Maximum Score 2.0022
Average Score -0.6529
Total Score -278.142

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

Index Residue Chain A4D Score Classification
1 Q D -1.3246 Soluble
2 V D -0.6020 Soluble
3 Q D -1.0712 Soluble
4 L D 0.0000 Buried
5 K D -1.6741 Soluble
6 Q D 0.0000 Buried
7 S D -0.7792 Soluble
8 G D -1.0370 Soluble
9 P D -0.4115 Soluble
11 G D -0.3213 Soluble
12 L D 0.0799 Aggregation-prone
13 V D -0.5697 Soluble
14 Q D -1.1591 Soluble
15 P D -1.2972 Soluble
16 S D -1.4932 Soluble
17 Q D -1.8707 Soluble
18 S D -1.7294 Soluble
19 L D 0.0000 Buried
20 S D -0.8698 Soluble
21 I D 0.0000 Buried
22 T D -0.5344 Soluble
23 C D 0.0000 Buried
24 T D -0.9198 Soluble
25 V D 0.0000 Buried
26 S D -0.9371 Soluble
27 G D -0.8053 Soluble
28 F D -0.4342 Soluble
29 S D -0.8687 Soluble
30 L D 0.0000 Buried
35 T D -0.9071 Soluble
36 N D -0.8376 Soluble
37 Y D 0.4951 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 -0.5034 Soluble
45 S D -1.0224 Soluble
46 P D -1.1644 Soluble
47 G D -1.7446 Soluble
48 K D -2.2917 Soluble
49 G D -1.2727 Soluble
50 L D 0.0000 Buried
51 E D -0.6162 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 -0.4958 Soluble
58 S D -0.6297 Soluble
59 G D -1.2288 Soluble
63 G D -1.5322 Soluble
64 N D -1.8455 Soluble
65 T D -1.3011 Soluble
66 D D -1.0105 Soluble
67 Y D -0.4220 Soluble
68 N D -0.2112 Soluble
69 T D -0.2391 Soluble
70 P D -0.3986 Soluble
71 F D 0.0000 Buried
72 T D -0.4923 Soluble
74 S D -0.6475 Soluble
75 R D -1.2247 Soluble
76 L D 0.0000 Buried
77 S D -1.2812 Soluble
78 I D 0.0000 Buried
79 N D -1.8208 Soluble
80 K D -1.4420 Soluble
81 D D -1.7911 Soluble
82 N D -2.2336 Soluble
83 S D -1.6981 Soluble
84 K D -2.3659 Soluble
85 S D -1.6014 Soluble
86 Q D -1.4861 Soluble
87 V D 0.0000 Buried
88 F D -0.4520 Soluble
89 F D 0.0000 Buried
90 K D -2.0409 Soluble
91 M D 0.0000 Buried
92 N D -2.1927 Soluble
93 S D -1.5527 Soluble
94 L D 0.0000 Buried
95 Q D -1.9728 Soluble
96 S D -1.4206 Soluble
97 N D -2.0362 Soluble
98 D D 0.0000 Buried
99 T D -0.5704 Soluble
100 A D 0.0000 Buried
101 I D 0.5646 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 1.1034 Aggregation-prone
109 T D 1.2203 Aggregation-prone
110 Y D 1.8817 Aggregation-prone
111 Y D 1.9785 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6048 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.1934 Aggregation-prone
117 Y D 0.2440 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6529 Soluble
121 G D -0.8179 Soluble
122 T D 0.0000 Buried
123 L D 0.2198 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2317 Soluble
126 V D 0.0000 Buried
127 S D -0.4056 Soluble
128 A D -0.2137 Soluble
129 A D -0.2191 Soluble
130 S D -0.4445 Soluble
131 T D -0.5919 Soluble
132 K D -1.2243 Soluble
133 G D -1.3080 Soluble
134 P D -0.5902 Soluble
135 S D -0.3914 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 -1.0077 Soluble
141 P D -0.7579 Soluble
142 G D -0.6417 Soluble
143 T D -0.4836 Soluble
144 A D 0.0000 Buried
145 A D 0.0000 Buried
146 L D 0.0000 Buried
147 G D 0.0000 Buried
148 C D 0.0000 Buried
149 L D 0.0000 Buried
150 V D 0.0000 Buried
151 K D 0.0000 Buried
152 D D -0.3425 Soluble
153 Y D 0.0000 Buried
154 F D 0.0000 Buried
155 P D 0.0000 Buried
156 E D -0.3555 Soluble
157 P D -0.4899 Soluble
158 V D -0.5242 Soluble
159 T D -0.4735 Soluble
160 V D -0.3102 Soluble
161 S D -0.3571 Soluble
162 W D 0.0000 Buried
163 N D -0.7338 Soluble
164 S D -0.6134 Soluble
165 G D -0.4336 Soluble
166 A D -0.1852 Soluble
167 L D 0.0444 Aggregation-prone
168 T D -0.1339 Soluble
169 S D -0.1768 Soluble
170 G D -0.2261 Soluble
171 V D 0.1804 Aggregation-prone
172 H D -0.2234 Soluble
173 T D -0.0032 Soluble
174 F D 0.0000 Buried
175 P D -0.1900 Soluble
176 A D 0.2843 Aggregation-prone
177 V D 0.6502 Aggregation-prone
178 L D 1.2708 Aggregation-prone
179 Q D 0.3430 Aggregation-prone
180 S D -0.0612 Soluble
181 S D -0.1779 Soluble
182 G D 0.1024 Aggregation-prone
183 L D 0.1834 Aggregation-prone
184 Y D 0.4727 Aggregation-prone
185 S D 0.0000 Buried
186 L D 0.0000 Buried
187 S D 0.0000 Buried
188 S D 0.0000 Buried
189 V D 0.0000 Buried
190 V D 0.0000 Buried
191 T D -0.1357 Soluble
192 V D 0.0000 Buried
193 P D -0.5710 Soluble
194 S D -0.5395 Soluble
195 S D -0.6018 Soluble
196 S D -0.5777 Soluble
197 L D -0.6842 Soluble
198 G D -0.8529 Soluble
199 T D -0.6846 Soluble
200 Q D -1.0741 Soluble
201 T D -1.0095 Soluble
202 Y D 0.0000 Buried
203 I D -1.2334 Soluble
204 C D 0.0000 Buried
205 N D -1.3999 Soluble
206 V D 0.0000 Buried
207 N D -1.8034 Soluble
208 H D 0.0000 Buried
209 K D -2.2738 Soluble
210 P D -1.3187 Soluble
211 S D -1.6279 Soluble
212 N D -2.3903 Soluble
213 T D -1.9178 Soluble
214 K D -2.5469 Soluble
215 V D -1.4734 Soluble
216 D D -2.3526 Soluble
217 K D -1.9995 Soluble
218 R D -2.4028 Soluble
219 V D 0.0000 Buried
220 E D -2.0455 Soluble
221 P D -1.5118 Soluble
222 K D -2.2403 Soluble
1 D C -1.3556 Soluble
2 I C -0.3338 Soluble
3 L C 0.7496 Aggregation-prone
4 L C -0.1723 Soluble
5 T C -0.3391 Soluble
6 Q C -0.2985 Soluble
7 S C 0.1665 Aggregation-prone
8 P C 0.9041 Aggregation-prone
9 V C 2.0022 Aggregation-prone
10 I C 1.6044 Aggregation-prone
11 L C 0.6540 Aggregation-prone
12 S C -0.1559 Soluble
13 V C 0.0000 Buried
14 S C -1.6050 Soluble
15 P C -1.7427 Soluble
16 G C -1.9974 Soluble
17 E C -2.5783 Soluble
18 R C -3.2371 Soluble
19 V C 0.0000 Buried
20 S C -0.9943 Soluble
21 F C 0.0000 Buried
22 S C -0.8830 Soluble
23 C C 0.0000 Buried
24 R C -2.4338 Soluble
25 A C 0.0000 Buried
26 S C -0.9678 Soluble
27 Q C -1.7011 Soluble
28 S C -1.6304 Soluble
29 I C 0.0000 Buried
36 G C -1.0550 Soluble
37 T C -0.7680 Soluble
38 N C -0.8691 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 -1.3579 Soluble
45 R C -1.8068 Soluble
46 T C -1.5103 Soluble
47 N C -1.7712 Soluble
48 G C -1.5575 Soluble
49 S C -1.0876 Soluble
50 P C 0.0000 Buried
51 R C -1.1726 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7477 Soluble
56 Y C -0.5815 Soluble
57 A C 0.0000 Buried
65 S C -1.2023 Soluble
66 E C -1.9057 Soluble
67 S C -1.1605 Soluble
68 I C -0.5133 Soluble
69 S C -0.3536 Soluble
70 G C -0.4866 Soluble
71 I C -0.3564 Soluble
72 P C -0.4172 Soluble
74 S C -0.7057 Soluble
75 R C -1.3496 Soluble
76 F C 0.0000 Buried
77 S C -1.0157 Soluble
78 G C -0.7410 Soluble
79 S C -0.8179 Soluble
80 G C -1.0501 Soluble
83 S C -0.8915 Soluble
84 G C -1.3239 Soluble
85 T C -1.8872 Soluble
86 D C -2.4309 Soluble
87 F C 0.0000 Buried
88 T C -0.8881 Soluble
89 L C 0.0000 Buried
90 S C -1.1151 Soluble
91 I C 0.0000 Buried
92 N C -2.7881 Soluble
93 S C -2.3388 Soluble
94 V C 0.0000 Buried
95 E C -2.4251 Soluble
96 S C -2.2361 Soluble
97 E C -2.1075 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C 0.0000 Buried
101 D C -0.7742 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 -0.6995 Soluble
108 N C -1.3310 Soluble
109 N C -1.1815 Soluble
114 W C 0.0845 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.0154 Soluble
118 F C 0.2272 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0590 Aggregation-prone
121 G C 0.1268 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.0544 Soluble
124 L C 0.0000 Buried
125 E C -0.8875 Soluble
126 L C 0.0000 Buried
127 K C -1.5040 Soluble
128 R C -1.1969 Soluble
129 T C -0.0841 Soluble
130 V C 0.4072 Aggregation-prone
131 A C -0.0140 Soluble
132 A C -0.1014 Soluble
133 P C 0.0000 Buried
134 S C -0.1816 Soluble
135 V C 0.0000 Buried
136 F C 0.0409 Aggregation-prone
137 I C 0.0508 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.4575 Soluble
140 P C -0.7619 Soluble
141 S C 0.0000 Buried
142 D C -3.0134 Soluble
143 E C -2.7810 Soluble
144 Q C 0.0000 Buried
145 L C -2.2266 Soluble
146 K C -2.7559 Soluble
147 S C -1.7251 Soluble
148 G C -1.2622 Soluble
149 T C -1.0303 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 -1.0021 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.6699 Soluble
162 R C -2.7160 Soluble
163 E C -3.1792 Soluble
164 A C -2.3470 Soluble
165 K C -2.4772 Soluble
166 V C -1.2186 Soluble
167 Q C -0.8744 Soluble
168 W C 0.0000 Buried
169 K C -0.7269 Soluble
170 V C 0.0000 Buried
171 D C -1.8313 Soluble
172 N C -1.5360 Soluble
173 A C -0.3760 Soluble
174 L C 0.4046 Aggregation-prone
175 Q C -0.2458 Soluble
176 S C -0.4548 Soluble
177 G C -0.8836 Soluble
178 N C -0.8113 Soluble
179 S C -1.0562 Soluble
180 Q C -1.1799 Soluble
181 E C -1.6246 Soluble
182 S C -0.7220 Soluble
183 V C -0.7716 Soluble
184 T C -0.7606 Soluble
185 E C -1.4276 Soluble
186 Q C 0.0000 Buried
187 D C -1.8455 Soluble
188 S C -2.2380 Soluble
189 K C -2.7461 Soluble
190 D C -2.1376 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C -1.2186 Soluble
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 -0.5590 Soluble
199 L C 0.0000 Buried
200 T C -0.3172 Soluble
201 L C -0.6611 Soluble
202 S C -1.0588 Soluble
203 K C -2.0585 Soluble
204 A C -1.8658 Soluble
205 D C -2.5226 Soluble
206 Y C 0.0000 Buried
207 E C -3.3422 Soluble
208 K C -3.5075 Soluble
209 H C -2.7617 Soluble
210 K C -2.8107 Soluble
211 V C -1.2792 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9813 Soluble
216 V C 0.0000 Buried
217 T C -1.2494 Soluble
218 H C 0.0000 Buried
219 Q C -1.7364 Soluble
220 G C -0.3726 Soluble
221 L C -0.1860 Soluble
222 S C -0.4336 Soluble
223 S C -0.3892 Soluble
224 P C -0.4739 Soluble
225 V C 0.0181 Aggregation-prone
226 T C -0.5242 Soluble
227 K C -0.7634 Soluble
228 S C -0.5245 Soluble
229 F C -0.7532 Soluble
230 N C -1.6462 Soluble
231 R C -2.2743 Soluble
232 G C -2.0159 Soluble
233 E C -2.3840 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 -0.6539 2.7544 CSV PDB
4.5 -0.6898 2.6863 CSV PDB
5.0 -0.7317 2.6091 CSV PDB
5.5 -0.7716 2.5284 CSV PDB
6.0 -0.7998 2.4465 CSV PDB
6.5 -0.8085 2.3644 CSV PDB
7.0 -0.7977 2.2826 CSV PDB
7.5 -0.7741 2.2019 CSV PDB
8.0 -0.7436 2.1937 CSV PDB
8.5 -0.7078 2.2205 CSV PDB
9.0 -0.6666 2.2507 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH