Cetuximab / 5ir1

A4DAB063_5ir1_D_C | Source PDB: 5ir1 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6855
Max Score
1.9839
Min Score
-3.6961
Total Score
-295.44
Score CDR
-0.3556
Score non-CDR
-0.7249

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.6961
Maximum Score 1.9839
Average Score -0.6855
Total Score -295.4427

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

Index Residue Chain A4D Score Classification
1 Q D -1.3617 Soluble
2 V D -0.6639 Soluble
3 Q D -1.4607 Soluble
4 L D 0.0000 Buried
5 K D -2.1632 Soluble
6 Q D 0.0000 Buried
7 S D -0.8329 Soluble
8 G D -1.1682 Soluble
9 P D -0.5197 Soluble
11 G D -0.4140 Soluble
12 L D 0.1023 Aggregation-prone
13 V D -0.5704 Soluble
14 Q D -1.0947 Soluble
15 P D -1.3685 Soluble
16 S D -1.6205 Soluble
17 Q D -2.0207 Soluble
18 S D -1.8912 Soluble
19 L D 0.0000 Buried
20 S D -0.8404 Soluble
21 I D 0.0000 Buried
22 T D -0.5545 Soluble
23 C D 0.0000 Buried
24 T D -1.0723 Soluble
25 V D 0.0000 Buried
26 S D -1.1107 Soluble
27 G D -0.8588 Soluble
28 F D -0.4703 Soluble
29 S D -0.8560 Soluble
30 L D 0.0000 Buried
35 T D -0.9214 Soluble
36 N D -0.8779 Soluble
37 Y D 0.3842 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 -0.4834 Soluble
45 S D 0.0000 Buried
46 P D -1.1989 Soluble
47 G D -1.7838 Soluble
48 K D -2.2437 Soluble
49 G D -1.1441 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 -0.5242 Soluble
58 S D -0.6478 Soluble
59 G D -1.2002 Soluble
63 G D -1.5154 Soluble
64 N D -1.8325 Soluble
65 T D -1.2740 Soluble
66 D D -0.9593 Soluble
67 Y D -0.3201 Soluble
68 N D 0.0000 Buried
69 T D -0.2051 Soluble
70 P D -0.3591 Soluble
71 F D 0.0000 Buried
72 T D -0.4275 Soluble
74 S D -0.6562 Soluble
75 R D -1.2893 Soluble
76 L D -1.0377 Soluble
77 S D -1.1120 Soluble
78 I D 0.0000 Buried
79 N D -1.7822 Soluble
80 K D -1.4869 Soluble
81 D D -1.8194 Soluble
82 N D -2.2477 Soluble
83 S D -1.7095 Soluble
84 K D -2.3734 Soluble
85 S D -1.6035 Soluble
86 Q D -1.5018 Soluble
87 V D 0.0000 Buried
88 F D -0.3387 Soluble
89 F D 0.0000 Buried
90 K D -1.9453 Soluble
92 N D -2.4130 Soluble
93 S D -1.7208 Soluble
94 L D 0.0000 Buried
95 Q D -2.2174 Soluble
96 S D -1.5148 Soluble
97 N D -2.1273 Soluble
98 D D 0.0000 Buried
99 T D -0.6466 Soluble
100 A D 0.0000 Buried
101 I D 0.4766 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 1.0358 Aggregation-prone
109 T D 1.0815 Aggregation-prone
110 Y D 1.6797 Aggregation-prone
111 Y D 1.8835 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.5761 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.0996 Aggregation-prone
117 Y D 0.0573 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.8409 Soluble
121 G D -0.9343 Soluble
122 T D 0.0000 Buried
123 L D 0.2158 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2391 Soluble
126 V D 0.0000 Buried
127 S D -0.5109 Soluble
128 A D -0.1672 Soluble
129 A D -0.2004 Soluble
130 S D -0.4332 Soluble
131 T D -0.5460 Soluble
132 K D -1.1529 Soluble
133 G D -1.3589 Soluble
134 P D -0.5990 Soluble
135 S D -0.2002 Soluble
136 V D 0.0000 Buried
137 F D -0.3599 Soluble
138 P D -1.0890 Soluble
139 L D 0.0000 Buried
140 A D -1.2307 Soluble
141 P D 0.0000 Buried
142 S D -1.5454 Soluble
143 S D -1.3616 Soluble
144 K D -2.0146 Soluble
145 S D 0.0000 Buried
146 T D -1.0637 Soluble
147 S D -0.7860 Soluble
148 G D -0.7983 Soluble
149 G D -1.0596 Soluble
150 T D -0.6151 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.3937 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.3061 Soluble
164 P D -0.6114 Soluble
165 V D 0.0000 Buried
166 T D -0.6750 Soluble
167 V D -0.4135 Soluble
168 S D -0.3739 Soluble
169 W D 0.0000 Buried
170 N D -0.7157 Soluble
171 S D -0.6118 Soluble
172 G D -0.4942 Soluble
173 A D -0.2137 Soluble
174 L D 0.0205 Aggregation-prone
175 T D -0.1479 Soluble
176 S D -0.1747 Soluble
177 G D -0.1987 Soluble
178 V D 0.1751 Aggregation-prone
179 H D -0.3143 Soluble
180 T D -0.0069 Soluble
181 F D 0.0000 Buried
182 P D -0.3622 Soluble
183 A D 0.2038 Aggregation-prone
184 V D 0.5113 Aggregation-prone
185 L D 1.1636 Aggregation-prone
186 Q D 0.2981 Aggregation-prone
187 S D -0.0544 Soluble
188 S D -0.2093 Soluble
189 G D 0.0473 Aggregation-prone
190 L D 0.1850 Aggregation-prone
191 Y D 0.4402 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1319 Soluble
199 V D 0.0000 Buried
200 P D -0.6071 Soluble
201 S D -0.7446 Soluble
202 S D -0.5637 Soluble
203 S D -0.5429 Soluble
204 L D -0.7975 Soluble
205 G D -0.9934 Soluble
206 T D -0.6645 Soluble
207 Q D -1.1145 Soluble
208 T D -1.1333 Soluble
209 Y D 0.0000 Buried
210 I D -1.3834 Soluble
211 C D 0.0000 Buried
212 N D -1.4090 Soluble
213 V D 0.0000 Buried
214 N D -2.0469 Soluble
215 H D 0.0000 Buried
216 K D -2.8135 Soluble
217 P D -1.5802 Soluble
218 S D -1.8100 Soluble
219 N D -2.5509 Soluble
220 T D -2.0931 Soluble
221 K D -2.6956 Soluble
222 V D -1.6352 Soluble
223 D D -2.3093 Soluble
224 K D -2.1852 Soluble
225 R D -2.6408 Soluble
226 V D 0.0000 Buried
227 E D -2.8713 Soluble
228 P D -1.9002 Soluble
229 K D -2.4828 Soluble
1 D C -1.5340 Soluble
2 I C 0.0000 Buried
3 L C 0.6406 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.2161 Soluble
6 Q C 0.1704 Aggregation-prone
7 S C 0.3001 Aggregation-prone
8 P C 0.9006 Aggregation-prone
9 V C 1.9839 Aggregation-prone
10 I C 1.5737 Aggregation-prone
11 L C 0.6846 Aggregation-prone
12 S C -0.2720 Soluble
13 V C 0.0000 Buried
14 S C -1.8062 Soluble
15 P C -2.0569 Soluble
16 G C -2.2118 Soluble
17 E C -2.9803 Soluble
18 R C -3.2686 Soluble
19 V C 0.0000 Buried
20 S C -0.9352 Soluble
21 F C 0.0000 Buried
22 S C -0.6663 Soluble
23 C C 0.0000 Buried
24 R C -1.9241 Soluble
25 A C 0.0000 Buried
26 S C -0.9864 Soluble
27 Q C -1.6887 Soluble
28 S C -1.6228 Soluble
29 I C 0.0000 Buried
36 G C -1.0467 Soluble
37 T C -0.7859 Soluble
38 N C -0.8802 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 -1.2175 Soluble
45 R C -1.6354 Soluble
46 T C -1.4218 Soluble
47 N C -1.7037 Soluble
48 G C -1.4969 Soluble
49 S C -1.1054 Soluble
50 P C 0.0000 Buried
51 R C -1.4485 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.6053 Soluble
56 Y C -0.4471 Soluble
57 A C 0.0000 Buried
65 S C -1.1938 Soluble
66 E C -1.8783 Soluble
67 S C -1.1222 Soluble
68 I C -0.4845 Soluble
69 S C -0.3379 Soluble
70 G C -0.4711 Soluble
71 I C -0.3381 Soluble
72 P C -0.3409 Soluble
74 S C -0.5592 Soluble
75 R C -1.0764 Soluble
76 F C 0.0000 Buried
77 S C -0.8597 Soluble
78 G C 0.0000 Buried
79 S C -0.8783 Soluble
80 G C -1.0900 Soluble
83 S C -0.9812 Soluble
84 G C -1.3095 Soluble
85 T C -1.8754 Soluble
86 D C -2.6066 Soluble
87 F C 0.0000 Buried
88 T C -0.8517 Soluble
89 L C 0.0000 Buried
90 S C -0.9366 Soluble
91 I C 0.0000 Buried
92 N C -2.4081 Soluble
93 S C -2.2858 Soluble
94 V C 0.0000 Buried
95 E C -2.9799 Soluble
96 S C -2.5880 Soluble
97 E C -2.8755 Soluble
98 D C 0.0000 Buried
99 I C -1.6199 Soluble
100 A C -1.2066 Soluble
101 D C -0.5561 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 -0.9079 Soluble
108 N C -1.6994 Soluble
109 N C -1.5088 Soluble
114 W C -0.2704 Soluble
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.1263 Soluble
118 F C 0.2160 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0619 Aggregation-prone
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -0.1295 Soluble
124 L C 0.0000 Buried
125 E C -0.8994 Soluble
126 L C 0.0000 Buried
127 K C -1.4941 Soluble
128 R C -1.1906 Soluble
129 T C -0.0905 Soluble
130 V C 0.4545 Aggregation-prone
131 A C 0.2077 Aggregation-prone
132 A C 0.0131 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1069 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.6321 Soluble
140 P C -0.5735 Soluble
141 S C -1.3197 Soluble
142 D C -2.3259 Soluble
144 Q C 0.0000 Buried
145 L C -1.7424 Soluble
146 K C -2.2489 Soluble
147 S C -1.3706 Soluble
148 G C -0.9517 Soluble
149 T C -0.7648 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 -0.8453 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7182 Soluble
162 R C -2.9642 Soluble
163 E C -3.2583 Soluble
164 A C -2.3734 Soluble
165 K C -2.2697 Soluble
166 V C -1.1428 Soluble
167 Q C -0.5628 Soluble
168 W C 0.0000 Buried
169 K C -0.6771 Soluble
170 V C 0.0000 Buried
171 D C -1.9524 Soluble
172 N C -1.5875 Soluble
173 A C -0.2833 Soluble
174 L C 0.6712 Aggregation-prone
175 Q C -0.3290 Soluble
176 S C -0.6337 Soluble
177 G C -1.2726 Soluble
178 N C -1.5884 Soluble
179 S C -1.5178 Soluble
180 Q C -1.5277 Soluble
181 E C -1.9554 Soluble
182 S C -1.0532 Soluble
183 V C -1.1468 Soluble
184 T C -1.2096 Soluble
185 E C -2.2487 Soluble
186 Q C 0.0000 Buried
187 D C -2.1276 Soluble
188 S C -2.4987 Soluble
189 K C -2.8052 Soluble
190 D C -2.0063 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 -0.7631 Soluble
199 L C 0.0000 Buried
200 T C -0.6425 Soluble
201 L C -0.7952 Soluble
202 S C -1.1307 Soluble
203 K C -1.9106 Soluble
204 A C -1.8489 Soluble
205 D C -2.4368 Soluble
206 Y C 0.0000 Buried
207 E C -3.6474 Soluble
208 K C -3.6961 Soluble
209 H C -3.2013 Soluble
210 K C -3.1689 Soluble
211 V C -1.4869 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.7973 Soluble
216 V C 0.0000 Buried
217 T C -1.1802 Soluble
218 H C 0.0000 Buried
219 Q C -1.7523 Soluble
220 G C -0.3680 Soluble
221 L C -0.1719 Soluble
222 S C -0.4289 Soluble
223 S C -0.3808 Soluble
224 P C -0.4660 Soluble
225 V C 0.1533 Aggregation-prone
226 T C -0.3391 Soluble
227 K C -0.7163 Soluble
228 S C -0.7497 Soluble
229 F C 0.0000 Buried
230 N C -1.6461 Soluble
231 R C -2.2105 Soluble
232 G C -1.4005 Soluble
233 A C -0.7311 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 -0.7044 2.2656 CSV PDB
4.5 -0.7404 2.256 CSV PDB
5.0 -0.7825 2.247 CSV PDB
5.5 -0.822 2.2412 CSV PDB
6.0 -0.8486 2.2439 CSV PDB
6.5 -0.8546 2.262 CSV PDB
7.0 -0.8402 2.2965 CSV PDB
7.5 -0.8121 2.3416 CSV PDB
8.0 -0.7764 2.3921 CSV PDB
8.5 -0.7351 2.4462 CSV PDB
9.0 -0.6888 2.5036 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH