Cetuximab / 5etu

A4DAB063_5etu_D_C | Source PDB: 5etu | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.664
Max Score
1.998
Min Score
-3.466
Total Score
-281.53
Score CDR
-0.2925
Score non-CDR
-0.7092

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.466
Maximum Score 1.998
Average Score -0.664
Total Score -281.5348

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

Index Residue Chain A4D Score Classification
1 Q D -1.4089 Soluble
2 V D -0.7702 Soluble
3 Q D -1.3639 Soluble
4 L D 0.0000 Buried
5 K D -2.2275 Soluble
6 Q D 0.0000 Buried
7 S D -0.9103 Soluble
8 G D -0.9795 Soluble
9 P D -0.4037 Soluble
11 G D -0.3101 Soluble
12 L D 0.0682 Aggregation-prone
13 V D -0.7288 Soluble
14 Q D -1.5832 Soluble
15 P D -1.4175 Soluble
16 S D -1.5107 Soluble
17 Q D -1.7783 Soluble
18 S D -1.4784 Soluble
19 L D 0.0000 Buried
20 S D -0.5488 Soluble
21 I D 0.0000 Buried
22 T D -0.4801 Soluble
23 C D 0.0000 Buried
24 T D -1.1094 Soluble
25 V D 0.0000 Buried
26 S D -1.2014 Soluble
27 G D -0.9522 Soluble
28 F D -0.5469 Soluble
29 S D -0.8823 Soluble
30 L D 0.0000 Buried
35 T D -0.8950 Soluble
36 N D -0.8459 Soluble
37 Y D 0.4662 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 -0.4724 Soluble
45 S D -0.9954 Soluble
46 P D -1.1710 Soluble
47 G D -1.7592 Soluble
48 K D -2.2804 Soluble
49 G D -1.2017 Soluble
50 L D 0.0000 Buried
51 E D -0.5922 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 -0.3671 Soluble
58 S D -0.5923 Soluble
59 G D -1.2034 Soluble
63 G D -1.5110 Soluble
64 N D -1.8535 Soluble
65 T D -1.3363 Soluble
66 D D -1.1156 Soluble
67 Y D -0.4555 Soluble
68 N D -0.2544 Soluble
69 T D -0.3658 Soluble
70 P D -0.3889 Soluble
71 F D 0.0000 Buried
72 T D -0.4762 Soluble
74 S D -0.5292 Soluble
75 R D -0.8790 Soluble
76 L D 0.0000 Buried
77 S D -0.9043 Soluble
78 I D 0.0000 Buried
79 N D -1.6866 Soluble
80 K D -1.4416 Soluble
81 D D -1.7950 Soluble
82 N D -2.2089 Soluble
83 S D -1.6908 Soluble
84 K D -2.3780 Soluble
85 S D -1.6341 Soluble
86 Q D -1.4924 Soluble
87 V D 0.0000 Buried
88 F D -0.1053 Soluble
89 F D 0.0000 Buried
90 K D -1.3015 Soluble
91 M D 0.0000 Buried
92 N D -1.4827 Soluble
93 S D -1.3978 Soluble
94 L D 0.0000 Buried
95 Q D -2.1838 Soluble
96 S D -1.5846 Soluble
97 N D -2.0951 Soluble
98 D D 0.0000 Buried
99 T D -0.5833 Soluble
100 A D 0.0000 Buried
101 I D 0.5522 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 1.0690 Aggregation-prone
109 T D 1.1982 Aggregation-prone
110 Y D 1.8923 Aggregation-prone
111 Y D 1.9980 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6747 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2319 Aggregation-prone
117 Y D 0.2029 Aggregation-prone
118 W D -0.4610 Soluble
119 G D 0.0000 Buried
120 Q D -1.7431 Soluble
121 G D -0.8953 Soluble
122 T D 0.0000 Buried
123 L D 0.2634 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2870 Soluble
126 V D 0.0000 Buried
127 S D -0.5401 Soluble
128 A D -0.3541 Soluble
129 A D -0.2709 Soluble
130 S D -0.5220 Soluble
131 T D -0.5924 Soluble
132 K D -1.2267 Soluble
133 G D -1.3496 Soluble
134 P D -0.6248 Soluble
135 S D -0.4545 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.3301 Soluble
139 L D 0.0000 Buried
140 A D -1.1969 Soluble
141 P D -0.7499 Soluble
142 S D -0.8085 Soluble
143 G D -0.6388 Soluble
144 T D -0.4881 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 -0.2600 Soluble
153 D D -0.4296 Soluble
154 Y D 0.0000 Buried
155 F D 0.0000 Buried
156 P D 0.0000 Buried
157 E D -0.3531 Soluble
158 P D -0.5146 Soluble
159 V D -0.4803 Soluble
160 T D -0.4569 Soluble
161 V D -0.1181 Soluble
162 S D -0.3792 Soluble
163 W D 0.0000 Buried
164 N D -0.7871 Soluble
165 S D -0.6739 Soluble
166 G D -0.5075 Soluble
167 A D -0.1662 Soluble
168 L D 0.1082 Aggregation-prone
169 T D -0.0756 Soluble
171 G D -0.3455 Soluble
172 V D 0.1327 Aggregation-prone
173 H D -0.2884 Soluble
174 T D 0.0554 Aggregation-prone
175 F D 0.0000 Buried
176 P D -0.0971 Soluble
177 A D 0.3952 Aggregation-prone
178 V D 0.6668 Aggregation-prone
179 L D 1.2886 Aggregation-prone
180 Q D 0.2667 Aggregation-prone
181 S D -0.1702 Soluble
182 S D -0.2039 Soluble
183 G D 0.0622 Aggregation-prone
184 L D 0.1500 Aggregation-prone
185 Y D 0.4622 Aggregation-prone
187 L D 0.2683 Aggregation-prone
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 -0.1824 Soluble
193 V D 0.0000 Buried
194 P D -0.5751 Soluble
195 S D -0.5440 Soluble
196 S D -0.6007 Soluble
197 S D -0.5819 Soluble
198 L D -0.8777 Soluble
199 G D -0.9879 Soluble
200 T D -0.6788 Soluble
201 Q D -1.1589 Soluble
202 T D -1.1591 Soluble
203 Y D 0.0000 Buried
204 I D -1.4388 Soluble
205 C D 0.0000 Buried
206 N D -1.4725 Soluble
207 V D 0.0000 Buried
208 N D -1.8029 Soluble
209 H D 0.0000 Buried
210 K D -2.3034 Soluble
211 P D -1.3652 Soluble
212 S D -1.6701 Soluble
213 N D -2.3972 Soluble
214 T D -1.9327 Soluble
215 K D -2.6131 Soluble
216 V D -1.5900 Soluble
217 D D -2.5500 Soluble
218 K D -2.2351 Soluble
219 R D -2.6800 Soluble
220 V D 0.0000 Buried
221 E D -2.8384 Soluble
222 P D -1.8767 Soluble
223 K D -2.4168 Soluble
1 D C -1.4033 Soluble
2 I C 0.0000 Buried
3 L C 0.6114 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.4005 Soluble
6 Q C -0.1644 Soluble
7 S C 0.0607 Aggregation-prone
8 P C 0.8004 Aggregation-prone
9 V C 1.8801 Aggregation-prone
10 I C 1.4587 Aggregation-prone
11 L C 0.5727 Aggregation-prone
12 S C -0.3898 Soluble
13 V C 0.0000 Buried
14 S C -1.6889 Soluble
15 P C -1.8620 Soluble
16 G C -2.1418 Soluble
17 E C -2.9858 Soluble
18 R C -3.2501 Soluble
19 V C 0.0000 Buried
20 S C -0.8559 Soluble
21 F C 0.0000 Buried
23 C C -1.3533 Soluble
24 R C -2.3939 Soluble
25 A C 0.0000 Buried
26 S C -0.9533 Soluble
27 Q C -1.4789 Soluble
28 S C -1.4411 Soluble
29 I C 0.0000 Buried
36 G C -1.0332 Soluble
37 T C -0.7851 Soluble
38 N C -0.8105 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 -1.2008 Soluble
45 R C -1.7725 Soluble
46 T C -1.5883 Soluble
47 N C -1.8017 Soluble
48 G C -1.5281 Soluble
49 S C -0.9954 Soluble
50 P C 0.0000 Buried
51 R C -0.8075 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7671 Soluble
56 Y C -0.6271 Soluble
57 A C 0.0000 Buried
65 S C -1.2697 Soluble
66 E C -2.0049 Soluble
67 S C -1.1985 Soluble
68 I C -0.5065 Soluble
69 S C -0.3434 Soluble
70 G C -0.4778 Soluble
71 I C -0.2816 Soluble
72 P C -0.3475 Soluble
74 S C -0.6355 Soluble
75 R C -1.2179 Soluble
76 F C 0.0000 Buried
77 S C -0.9978 Soluble
78 G C -0.7597 Soluble
79 S C -0.8444 Soluble
80 G C -1.0471 Soluble
83 S C -0.9116 Soluble
84 G C -1.2743 Soluble
85 T C -1.8149 Soluble
86 D C -2.3387 Soluble
87 F C 0.0000 Buried
88 T C -0.7678 Soluble
89 L C 0.0000 Buried
90 S C -0.9749 Soluble
91 I C 0.0000 Buried
92 N C -2.7829 Soluble
93 S C -2.4064 Soluble
94 V C 0.0000 Buried
95 E C -2.3881 Soluble
96 S C -2.3717 Soluble
97 E C -2.3989 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C -1.2466 Soluble
101 D C 0.0000 Buried
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 -0.5643 Soluble
108 N C -1.1619 Soluble
109 N C -0.9253 Soluble
114 W C 0.1754 Aggregation-prone
115 P C -0.2117 Soluble
116 T C 0.0000 Buried
117 T C -0.0676 Soluble
118 F C 0.1389 Aggregation-prone
119 G C -0.1603 Soluble
120 A C -0.0346 Soluble
121 G C 0.0648 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.7346 Soluble
124 L C 0.0000 Buried
125 E C -0.9706 Soluble
126 L C 0.0000 Buried
127 K C -1.5149 Soluble
128 R C -1.2220 Soluble
129 T C -0.0203 Soluble
130 V C 0.6738 Aggregation-prone
131 A C 0.2987 Aggregation-prone
132 A C 0.0125 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1814 Soluble
135 V C 0.0000 Buried
136 F C 0.1664 Aggregation-prone
137 I C 0.1372 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5072 Soluble
140 P C -0.8282 Soluble
141 S C -1.7957 Soluble
142 D C -3.0098 Soluble
143 E C -2.7456 Soluble
144 Q C 0.0000 Buried
145 L C -2.1892 Soluble
146 K C -2.7037 Soluble
147 S C -1.7035 Soluble
148 G C -1.2669 Soluble
149 T C -0.8765 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 -0.9329 Soluble
159 F C 0.0000 Buried
160 Y C -0.8431 Soluble
161 P C -1.3461 Soluble
162 R C -2.2697 Soluble
163 E C -2.7705 Soluble
164 A C -1.8889 Soluble
165 K C -1.6276 Soluble
166 V C -0.7858 Soluble
167 Q C -0.4659 Soluble
168 W C 0.0000 Buried
169 K C -0.6021 Soluble
170 V C 0.0000 Buried
171 D C -1.8969 Soluble
172 N C -1.5161 Soluble
173 A C -0.2549 Soluble
174 L C 0.7261 Aggregation-prone
175 Q C -0.3030 Soluble
176 S C -0.6281 Soluble
177 G C -1.2985 Soluble
178 N C -1.6490 Soluble
179 S C -1.4329 Soluble
180 Q C -1.3196 Soluble
181 E C -1.2164 Soluble
182 S C -0.4850 Soluble
183 V C -0.3974 Soluble
184 T C -0.8550 Soluble
185 E C -1.9772 Soluble
186 Q C 0.0000 Buried
187 D C -2.1517 Soluble
188 S C -2.4899 Soluble
189 K C -2.8401 Soluble
190 D C -2.2006 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 -0.6172 Soluble
199 L C 0.0000 Buried
200 T C -0.5565 Soluble
201 L C -0.7756 Soluble
202 S C -0.9824 Soluble
203 K C -1.9304 Soluble
204 A C -1.7655 Soluble
205 D C -2.4207 Soluble
206 Y C 0.0000 Buried
207 E C -3.1904 Soluble
208 K C -3.4660 Soluble
209 H C -2.9184 Soluble
210 K C -3.0155 Soluble
211 V C -1.4242 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.8434 Soluble
216 V C 0.0000 Buried
217 T C -0.9878 Soluble
218 H C 0.0000 Buried
219 Q C -1.5455 Soluble
220 G C -0.2791 Soluble
221 L C -0.1720 Soluble
222 S C -0.4372 Soluble
223 S C -0.4235 Soluble
224 P C -0.4939 Soluble
225 V C -0.1298 Soluble
226 T C -0.5348 Soluble
227 K C -0.6714 Soluble
228 S C -0.5740 Soluble
229 F C -0.6444 Soluble
230 N C -1.5327 Soluble
231 R C -2.0422 Soluble
232 G C -1.2784 Soluble
233 A C -0.7332 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 -0.6685 2.7637 CSV PDB
4.5 -0.7052 2.7107 CSV PDB
5.0 -0.7484 2.6402 CSV PDB
5.5 -0.7898 2.561 CSV PDB
6.0 -0.819 2.4787 CSV PDB
6.5 -0.8275 2.3954 CSV PDB
7.0 -0.8149 2.3118 CSV PDB
7.5 -0.7886 2.2302 CSV PDB
8.0 -0.7547 2.2296 CSV PDB
8.5 -0.7153 2.2344 CSV PDB
9.0 -0.6711 2.3486 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH