Cetuximab / 4kro

A4DAB063_4kro_D_C | Source PDB: 4kro | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6714
Max Score
2.0748
Min Score
-3.7408
Total Score
-284.68
Score CDR
-0.3007
Score non-CDR
-0.7165

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.7408
Maximum Score 2.0748
Average Score -0.6714
Total Score -284.6823

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

Index Residue Chain A4D Score Classification
1 Q D -1.4567 Soluble
2 V D -0.8308 Soluble
3 Q D -1.8389 Soluble
4 L D 0.0000 Buried
5 K D -2.0960 Soluble
6 Q D 0.0000 Buried
7 S D -0.6883 Soluble
8 G D -0.2745 Soluble
9 P D -0.5464 Soluble
11 G D -0.2716 Soluble
12 L D -0.1226 Soluble
13 V D 0.0000 Buried
14 Q D -1.6840 Soluble
15 P D -1.5030 Soluble
16 S D -1.4163 Soluble
17 Q D -1.6885 Soluble
18 S D -1.3533 Soluble
19 L D 0.0000 Buried
20 S D -0.5615 Soluble
21 I D 0.0000 Buried
22 T D -0.4107 Soluble
23 C D 0.0000 Buried
24 T D -1.0921 Soluble
25 V D 0.0000 Buried
26 S D -1.1232 Soluble
27 G D -0.9688 Soluble
28 F D -0.5198 Soluble
29 S D -0.6947 Soluble
30 L D 0.0000 Buried
35 T D -0.9845 Soluble
36 N D -0.8268 Soluble
37 Y D 0.0974 Aggregation-prone
38 G D 0.0215 Aggregation-prone
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 -0.5164 Soluble
45 S D -1.1587 Soluble
46 P D -1.0550 Soluble
47 G D -1.6199 Soluble
48 K D -2.2654 Soluble
49 G D -1.2456 Soluble
50 L D 0.0000 Buried
51 E D -0.6240 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 -0.6148 Soluble
58 S D -0.7434 Soluble
59 G D -1.2203 Soluble
63 G D -1.6562 Soluble
64 N D -1.8431 Soluble
65 T D -1.2462 Soluble
66 D D -0.9306 Soluble
67 Y D -0.3934 Soluble
68 N D -0.2488 Soluble
69 T D -0.3997 Soluble
70 P D -0.4123 Soluble
71 F D 0.0000 Buried
72 T D -0.4705 Soluble
74 S D -0.5450 Soluble
75 R D -0.8791 Soluble
76 L D 0.0000 Buried
77 S D -0.8125 Soluble
78 I D 0.0000 Buried
79 N D -1.6862 Soluble
80 K D -1.4193 Soluble
81 D D -1.7803 Soluble
82 N D -2.0145 Soluble
83 S D -1.6735 Soluble
84 K D -2.2963 Soluble
85 S D -1.5998 Soluble
86 Q D -1.3973 Soluble
87 V D 0.0000 Buried
88 F D -0.1451 Soluble
89 F D 0.0000 Buried
90 K D -1.0925 Soluble
91 M D 0.0000 Buried
92 N D -1.3721 Soluble
93 S D -1.3880 Soluble
94 L D 0.0000 Buried
95 Q D -2.1390 Soluble
96 S D -1.5411 Soluble
97 N D -2.0120 Soluble
98 D D 0.0000 Buried
99 T D -0.5747 Soluble
100 A D 0.0000 Buried
101 I D 0.4570 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 0.9240 Aggregation-prone
109 T D 0.9384 Aggregation-prone
110 Y D 1.3619 Aggregation-prone
111 Y D 1.6643 Aggregation-prone
112 D D 0.9082 Aggregation-prone
113 Y D 0.6269 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.3183 Aggregation-prone
117 Y D 0.1659 Aggregation-prone
118 W D -0.4752 Soluble
119 G D 0.0000 Buried
120 Q D -1.6758 Soluble
121 G D -0.7293 Soluble
122 T D 0.0000 Buried
123 L D 0.4648 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2441 Soluble
126 V D -0.7736 Soluble
127 S D -0.5724 Soluble
128 A D -0.3919 Soluble
129 A D -0.3999 Soluble
130 S D -0.6923 Soluble
131 T D -1.0628 Soluble
132 K D -1.9035 Soluble
133 G D -1.7060 Soluble
134 P D -0.8087 Soluble
135 S D -0.5219 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.1323 Soluble
139 L D 0.0000 Buried
140 A D -0.8415 Soluble
141 P D -0.6938 Soluble
142 S D -0.9109 Soluble
143 S D -1.1132 Soluble
144 K D -1.8920 Soluble
145 T D -0.4750 Soluble
146 A D 0.0000 Buried
147 A D 0.0000 Buried
148 L D 0.0000 Buried
149 G D 0.0000 Buried
150 C D 0.0000 Buried
151 L D 0.0000 Buried
152 V D 0.0000 Buried
153 K D 0.0000 Buried
154 D D -0.5698 Soluble
155 Y D 0.0000 Buried
156 F D 0.0000 Buried
157 P D 0.0000 Buried
158 E D -0.4586 Soluble
159 P D -0.7113 Soluble
160 V D 0.0000 Buried
161 T D -0.7127 Soluble
162 V D -0.3238 Soluble
163 S D -0.4049 Soluble
164 W D 0.0000 Buried
165 N D -0.7756 Soluble
166 S D -0.6470 Soluble
167 G D -0.4833 Soluble
168 A D -0.2167 Soluble
169 L D 0.0058 Aggregation-prone
170 T D -0.1685 Soluble
171 S D -0.1898 Soluble
172 G D -0.2031 Soluble
173 V D 0.1562 Aggregation-prone
174 H D -0.2307 Soluble
175 T D 0.0282 Aggregation-prone
176 F D 0.0000 Buried
177 P D -0.1897 Soluble
178 A D 0.2957 Aggregation-prone
179 V D 0.6270 Aggregation-prone
180 L D 1.2913 Aggregation-prone
181 Q D 0.3201 Aggregation-prone
182 S D -0.0701 Soluble
183 S D -0.2429 Soluble
184 G D 0.0073 Aggregation-prone
185 L D -0.0108 Soluble
186 Y D 0.2978 Aggregation-prone
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D 0.0000 Buried
190 S D 0.0000 Buried
191 V D 0.0000 Buried
192 V D 0.0000 Buried
193 T D -0.1335 Soluble
194 V D 0.0000 Buried
195 P D -0.3252 Soluble
196 S D -0.6548 Soluble
197 S D -0.4530 Soluble
198 S D 0.0000 Buried
199 L D -0.6459 Soluble
200 G D -1.0006 Soluble
201 T D -0.7085 Soluble
202 Q D -1.2492 Soluble
203 T D -1.2118 Soluble
204 Y D 0.0000 Buried
205 I D -1.3282 Soluble
206 C D 0.0000 Buried
207 N D -1.5867 Soluble
208 V D 0.0000 Buried
209 N D -2.2326 Soluble
210 H D 0.0000 Buried
211 K D -2.9212 Soluble
212 P D -1.8826 Soluble
213 S D -2.0739 Soluble
214 N D -2.7276 Soluble
215 T D -2.2175 Soluble
216 K D -2.8065 Soluble
217 V D -1.6433 Soluble
218 D D -2.6038 Soluble
219 K D -2.1255 Soluble
220 R D -2.7066 Soluble
221 V D 0.0000 Buried
222 E D -2.4084 Soluble
1 D C -1.4764 Soluble
2 I C 0.0000 Buried
3 L C 0.6644 Aggregation-prone
4 L C 0.0053 Aggregation-prone
5 T C -0.3002 Soluble
6 Q C -0.0077 Soluble
7 S C 0.1275 Aggregation-prone
8 P C 0.9009 Aggregation-prone
9 V C 2.0748 Aggregation-prone
10 I C 1.6825 Aggregation-prone
11 L C 0.6928 Aggregation-prone
12 S C -0.5460 Soluble
13 V C 0.0000 Buried
14 S C -2.1871 Soluble
15 P C -2.3515 Soluble
16 G C -2.4396 Soluble
17 E C -3.3668 Soluble
18 R C -3.3093 Soluble
19 V C 0.0000 Buried
20 S C -0.8618 Soluble
21 F C 0.0000 Buried
22 S C -0.8629 Soluble
23 C C 0.0000 Buried
24 R C -2.3863 Soluble
25 A C 0.0000 Buried
26 S C -0.9344 Soluble
27 Q C -1.5070 Soluble
28 S C -1.3873 Soluble
29 I C 0.0000 Buried
36 G C -1.0293 Soluble
37 T C -0.7796 Soluble
38 N C -0.7941 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 -1.0688 Soluble
45 R C -1.4335 Soluble
46 T C -1.4272 Soluble
47 N C -1.8445 Soluble
48 G C -1.3888 Soluble
49 S C -0.9336 Soluble
50 P C 0.0000 Buried
51 R C -0.7618 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C 0.0000 Buried
56 Y C -0.4997 Soluble
57 A C 0.0000 Buried
65 S C -1.2433 Soluble
66 E C -1.9927 Soluble
67 S C -1.2555 Soluble
68 I C 0.0000 Buried
69 S C -0.6513 Soluble
70 G C -0.5264 Soluble
71 I C -0.3285 Soluble
72 P C -0.3952 Soluble
74 S C -0.7001 Soluble
75 R C -1.1263 Soluble
76 F C 0.0000 Buried
77 S C -0.9711 Soluble
78 G C -0.7825 Soluble
79 S C -0.8860 Soluble
80 G C -1.1344 Soluble
83 S C -1.2197 Soluble
84 G C -1.3030 Soluble
85 T C -1.7566 Soluble
86 D C -2.3303 Soluble
87 F C 0.0000 Buried
88 T C -0.9242 Soluble
89 L C 0.0000 Buried
90 S C -0.9921 Soluble
91 I C 0.0000 Buried
92 N C -2.6699 Soluble
93 S C -2.5937 Soluble
94 V C 0.0000 Buried
95 E C -2.7078 Soluble
96 S C -2.5476 Soluble
97 E C -2.4686 Soluble
98 D C 0.0000 Buried
99 I C -1.4894 Soluble
100 A C 0.0000 Buried
101 D C -0.4733 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 -0.6535 Soluble
108 N C -1.2362 Soluble
109 N C -0.7393 Soluble
114 W C 0.3524 Aggregation-prone
115 P C 0.0198 Aggregation-prone
116 T C 0.0000 Buried
117 T C -0.0435 Soluble
118 F C 0.0000 Buried
119 G C 0.0000 Buried
120 A C -0.1949 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -0.1994 Soluble
124 L C 0.0000 Buried
125 E C -1.0639 Soluble
126 L C 0.0000 Buried
127 K C -1.9778 Soluble
128 R C -1.2008 Soluble
129 T C 0.0947 Aggregation-prone
130 V C 1.1221 Aggregation-prone
131 A C 0.4557 Aggregation-prone
132 A C 0.0452 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1289 Soluble
135 V C 0.0000 Buried
136 F C -0.0215 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.8011 Soluble
140 P C 0.0000 Buried
141 S C -1.4926 Soluble
142 D C -2.7476 Soluble
143 E C -2.5616 Soluble
144 Q C 0.0000 Buried
145 L C -2.0732 Soluble
146 K C -2.7297 Soluble
147 S C -1.7226 Soluble
148 G C -1.2639 Soluble
149 T C -1.1829 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 -0.8487 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7004 Soluble
162 R C -3.1868 Soluble
163 E C -3.2812 Soluble
164 A C -2.3955 Soluble
165 K C -2.3063 Soluble
166 V C -0.9749 Soluble
167 Q C -0.4462 Soluble
168 W C 0.0000 Buried
169 K C -0.5128 Soluble
170 V C 0.0000 Buried
171 D C -1.7569 Soluble
172 N C -1.3244 Soluble
173 A C -0.2571 Soluble
174 L C 0.7548 Aggregation-prone
175 Q C -0.1624 Soluble
176 S C -0.3851 Soluble
177 G C -0.9389 Soluble
178 N C -0.8828 Soluble
179 S C -1.0263 Soluble
180 Q C -1.1527 Soluble
181 E C -1.3525 Soluble
182 S C -0.6537 Soluble
183 V C -0.5356 Soluble
184 T C -0.8576 Soluble
185 E C -1.7902 Soluble
186 Q C 0.0000 Buried
187 D C -1.9106 Soluble
188 S C -2.3087 Soluble
189 K C -2.7695 Soluble
190 D C -1.9826 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 -0.6068 Soluble
199 L C 0.0000 Buried
200 T C -0.4791 Soluble
201 L C -0.7300 Soluble
202 S C -1.3234 Soluble
203 K C -2.0397 Soluble
204 A C -1.9784 Soluble
205 D C -2.7792 Soluble
206 Y C 0.0000 Buried
207 E C -3.6006 Soluble
208 K C -3.7408 Soluble
209 H C -3.4391 Soluble
210 K C -3.5120 Soluble
211 V C -1.9417 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.7334 Soluble
216 V C 0.0000 Buried
217 T C -1.1745 Soluble
218 H C 0.0000 Buried
219 Q C -1.4790 Soluble
220 G C -0.2856 Soluble
221 L C -0.1627 Soluble
222 S C -0.4462 Soluble
223 S C -0.3975 Soluble
224 P C -0.5289 Soluble
225 V C 0.0516 Aggregation-prone
226 T C -0.4493 Soluble
227 K C -0.6616 Soluble
228 S C -0.6113 Soluble
229 F C -1.1863 Soluble
230 N C -2.6555 Soluble
231 R C -3.4143 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 -0.6971 2.8502 CSV PDB
4.5 -0.7335 2.8099 CSV PDB
5.0 -0.7762 2.7604 CSV PDB
5.5 -0.8161 2.7069 CSV PDB
6.0 -0.8431 2.652 CSV PDB
6.5 -0.8494 2.5966 CSV PDB
7.0 -0.8355 2.5413 CSV PDB
7.5 -0.8085 2.4864 CSV PDB
8.0 -0.7748 2.4458 CSV PDB
8.5 -0.736 2.5153 CSV PDB
9.0 -0.6923 2.5863 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH