Cetuximab / 6au5

A4DAB063_6au5_D_C | Source PDB: 6au5 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6601
Max Score
2.058
Min Score
-3.5611
Total Score
-285.83
Score CDR
-0.3185
Score non-CDR
-0.7007

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 -3.5611
Maximum Score 2.058
Average Score -0.6601
Total Score -285.8344

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

Index Residue Chain A4D Score Classification
1 Q D -1.4378 Soluble
2 V D -0.8297 Soluble
3 Q D -1.5395 Soluble
4 L D 0.0000 Buried
5 K D -2.2888 Soluble
6 Q D 0.0000 Buried
7 S D -0.7718 Soluble
8 G D -0.9056 Soluble
9 P D -0.3562 Soluble
11 G D -0.3234 Soluble
12 L D 0.0517 Aggregation-prone
13 V D -0.7210 Soluble
14 Q D -1.4699 Soluble
15 P D -1.4993 Soluble
16 S D -1.6590 Soluble
17 Q D -2.0805 Soluble
18 S D -1.9767 Soluble
19 L D 0.0000 Buried
20 S D -0.9306 Soluble
21 I D 0.0000 Buried
22 T D -0.6413 Soluble
23 C D 0.0000 Buried
24 T D -1.1702 Soluble
25 V D 0.0000 Buried
26 S D -1.2123 Soluble
27 G D -0.9779 Soluble
28 F D -0.5435 Soluble
29 S D -0.8632 Soluble
30 L D 0.0000 Buried
35 T D -0.9172 Soluble
36 N D -0.8574 Soluble
37 Y D 0.4223 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 -0.4461 Soluble
45 S D -1.0395 Soluble
46 P D -1.1642 Soluble
47 G D -1.7244 Soluble
48 K D -2.2284 Soluble
49 G D -1.1410 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 -0.5572 Soluble
58 S D -0.6826 Soluble
59 G D -1.2632 Soluble
63 G D -1.5845 Soluble
64 N D -1.9003 Soluble
65 T D -1.3794 Soluble
66 D D -1.1563 Soluble
67 Y D -0.4969 Soluble
68 N D -0.2320 Soluble
69 T D -0.2635 Soluble
70 P D -0.4055 Soluble
71 F D 0.0000 Buried
72 T D -0.5235 Soluble
74 S D -0.6897 Soluble
75 R D -1.3019 Soluble
76 L D 0.0000 Buried
77 S D -1.3334 Soluble
78 I D 0.0000 Buried
79 N D -1.8852 Soluble
80 K D -1.4984 Soluble
81 D D -1.8080 Soluble
82 N D -2.2240 Soluble
83 S D -1.6903 Soluble
84 K D -2.3574 Soluble
85 S D -1.5975 Soluble
86 Q D -1.5722 Soluble
87 V D 0.0000 Buried
88 F D -0.6171 Soluble
89 F D 0.0000 Buried
90 K D -2.1019 Soluble
91 M D 0.0000 Buried
92 N D -2.4243 Soluble
93 S D -1.7655 Soluble
94 L D 0.0000 Buried
95 Q D -2.2574 Soluble
96 S D -1.5627 Soluble
97 N D -2.0957 Soluble
98 D D 0.0000 Buried
99 T D -0.6178 Soluble
100 A D 0.0000 Buried
101 I D 0.5100 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 1.0307 Aggregation-prone
109 T D 1.1618 Aggregation-prone
110 Y D 1.8408 Aggregation-prone
111 Y D 1.9421 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.0000 Buried
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2298 Aggregation-prone
117 Y D 0.1743 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.8121 Soluble
121 G D -0.8848 Soluble
122 T D 0.0000 Buried
123 L D 0.2758 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2878 Soluble
126 V D 0.0000 Buried
127 S D -0.6302 Soluble
128 A D -0.3069 Soluble
129 A D -0.2632 Soluble
130 S D -0.4424 Soluble
131 T D -0.5675 Soluble
132 K D -1.1703 Soluble
133 G D -1.3574 Soluble
134 P D -0.6381 Soluble
135 S D -0.3797 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.2455 Soluble
139 L D 0.0000 Buried
140 A D -1.2218 Soluble
141 P D 0.0000 Buried
142 S D -1.2023 Soluble
143 S D -0.8609 Soluble
144 K D -1.4006 Soluble
145 S D 0.0000 Buried
146 T D -0.8694 Soluble
147 S D -0.8494 Soluble
148 G D -0.8536 Soluble
149 G D -0.9070 Soluble
150 T D -0.6767 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 -0.4757 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.3990 Soluble
164 P D -0.5831 Soluble
165 V D -0.6738 Soluble
166 T D -0.6259 Soluble
167 V D -0.2222 Soluble
168 S D -0.4253 Soluble
169 W D 0.0000 Buried
170 N D -0.8043 Soluble
171 S D -0.6706 Soluble
172 G D -0.5449 Soluble
173 A D -0.2529 Soluble
174 L D -0.0276 Soluble
175 T D -0.1864 Soluble
176 S D -0.2046 Soluble
177 G D -0.2599 Soluble
178 V D 0.1408 Aggregation-prone
179 H D -0.2827 Soluble
180 T D 0.0333 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.2776 Soluble
183 A D 0.2526 Aggregation-prone
184 V D 0.5778 Aggregation-prone
185 L D 1.1098 Aggregation-prone
186 Q D 0.2601 Aggregation-prone
187 S D -0.0691 Soluble
188 S D -0.2308 Soluble
189 G D 0.0164 Aggregation-prone
190 L D 0.1001 Aggregation-prone
191 Y D 0.4016 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 -0.1548 Soluble
199 V D 0.0000 Buried
200 P D -0.5546 Soluble
201 S D -0.6074 Soluble
202 S D -0.6161 Soluble
203 S D -0.6547 Soluble
204 L D -0.9309 Soluble
205 G D -1.0576 Soluble
206 T D -0.8287 Soluble
207 Q D -1.4475 Soluble
208 T D -1.3202 Soluble
209 Y D 0.0000 Buried
210 I D -1.4050 Soluble
211 C D 0.0000 Buried
212 N D -1.4648 Soluble
213 V D 0.0000 Buried
214 N D -2.1392 Soluble
215 H D 0.0000 Buried
216 K D -2.6187 Soluble
217 P D -1.4921 Soluble
218 S D -1.7639 Soluble
219 N D -2.5108 Soluble
220 T D -2.0707 Soluble
221 K D -2.6998 Soluble
222 V D -1.5883 Soluble
223 D D -2.2882 Soluble
224 K D -2.0620 Soluble
225 R D -2.6122 Soluble
226 V D 0.0000 Buried
227 E D -2.9091 Soluble
228 P D -1.9046 Soluble
229 K D -2.2423 Soluble
1 D C -1.3170 Soluble
2 I C 0.0000 Buried
3 L C 0.6257 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3389 Soluble
6 Q C 0.0000 Buried
7 S C 0.1868 Aggregation-prone
8 P C 0.9423 Aggregation-prone
9 V C 2.0580 Aggregation-prone
10 I C 1.8097 Aggregation-prone
11 L C 0.8479 Aggregation-prone
12 S C -0.0122 Soluble
13 V C -0.9433 Soluble
14 S C -1.7510 Soluble
15 P C -1.9096 Soluble
16 G C -2.0861 Soluble
17 E C -2.8294 Soluble
18 R C -3.0736 Soluble
19 V C 0.0000 Buried
20 S C -0.9380 Soluble
21 F C 0.0000 Buried
22 S C -0.7945 Soluble
23 C C 0.0000 Buried
24 R C -2.3796 Soluble
25 A C 0.0000 Buried
26 S C -0.9186 Soluble
27 Q C -1.2259 Soluble
28 S C -1.4146 Soluble
29 I C 0.0000 Buried
36 G C -0.9477 Soluble
37 T C -0.7355 Soluble
38 N C -0.7787 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 -1.2818 Soluble
45 R C -1.9921 Soluble
46 T C -1.7697 Soluble
47 N C -2.0131 Soluble
48 G C -1.5367 Soluble
49 S C -0.9797 Soluble
50 P C 0.0000 Buried
51 R C -0.6135 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7532 Soluble
56 Y C -0.5077 Soluble
57 A C 0.0000 Buried
65 S C -1.2773 Soluble
66 E C -2.0039 Soluble
67 S C -1.1923 Soluble
68 I C -0.5432 Soluble
69 S C -0.3394 Soluble
70 G C -0.4627 Soluble
71 I C -0.2251 Soluble
72 P C -0.3089 Soluble
74 S C -0.5616 Soluble
75 R C -1.0622 Soluble
76 F C 0.0000 Buried
77 S C -0.8648 Soluble
78 G C 0.0000 Buried
79 S C -0.8428 Soluble
80 G C -0.8437 Soluble
83 S C -0.9006 Soluble
84 G C -1.2293 Soluble
85 T C -1.7791 Soluble
86 D C -2.3648 Soluble
87 F C 0.0000 Buried
88 T C -0.8640 Soluble
89 L C 0.0000 Buried
90 S C -0.9330 Soluble
91 I C 0.0000 Buried
92 N C -2.3879 Soluble
93 S C -2.1981 Soluble
94 V C 0.0000 Buried
95 E C -2.2141 Soluble
96 S C -2.0802 Soluble
97 E C -1.9789 Soluble
98 D C 0.0000 Buried
99 I C -1.2877 Soluble
100 A C 0.0000 Buried
101 D C -0.7642 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 -0.7374 Soluble
108 N C -1.2691 Soluble
109 N C -0.9618 Soluble
114 W C 0.1563 Aggregation-prone
115 P C -0.2031 Soluble
116 T C 0.0000 Buried
117 T C -0.0230 Soluble
118 F C 0.2035 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0367 Aggregation-prone
121 G C 0.1518 Aggregation-prone
122 T C 0.0000 Buried
123 K C 0.0259 Aggregation-prone
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 L C 0.0000 Buried
127 K C -1.7442 Soluble
128 R C -1.0847 Soluble
129 T C 0.1662 Aggregation-prone
130 V C 1.0050 Aggregation-prone
131 A C 0.3268 Aggregation-prone
132 A C 0.0685 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2374 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 -0.6923 Soluble
140 P C -0.7345 Soluble
141 S C 0.0000 Buried
142 D C -2.6768 Soluble
143 E C -2.4347 Soluble
144 Q C 0.0000 Buried
145 L C -2.1054 Soluble
146 K C -2.6470 Soluble
147 S C -1.6493 Soluble
148 G C -1.3314 Soluble
149 T C -0.9792 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 -0.8737 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.4231 Soluble
162 R C -2.3932 Soluble
163 E C -2.7730 Soluble
164 A C -2.0536 Soluble
165 K C -2.0249 Soluble
166 V C -1.0849 Soluble
167 Q C -0.6815 Soluble
168 W C 0.0000 Buried
169 K C -0.4478 Soluble
170 V C 0.0000 Buried
171 D C -1.4671 Soluble
172 N C -1.3070 Soluble
173 A C -0.0938 Soluble
174 L C 0.7866 Aggregation-prone
175 Q C -0.0953 Soluble
176 S C -0.3969 Soluble
177 G C -0.8912 Soluble
178 N C -0.8126 Soluble
179 S C -1.1332 Soluble
180 Q C -1.3690 Soluble
181 E C -1.8566 Soluble
182 S C -0.8528 Soluble
183 V C -0.6160 Soluble
184 T C -0.9624 Soluble
185 E C -2.2434 Soluble
186 Q C 0.0000 Buried
187 D C -1.9091 Soluble
188 S C -2.2118 Soluble
189 K C -2.5578 Soluble
190 D C -1.9715 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 -0.6971 Soluble
199 L C 0.0000 Buried
200 T C -0.4271 Soluble
201 L C -0.6670 Soluble
202 S C -1.2136 Soluble
203 K C -2.0127 Soluble
204 A C -1.8890 Soluble
205 D C -2.5718 Soluble
206 Y C 0.0000 Buried
207 E C -3.4067 Soluble
208 K C -3.5611 Soluble
209 H C -2.9920 Soluble
210 K C -2.9452 Soluble
211 V C -1.1021 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.8689 Soluble
216 V C 0.0000 Buried
217 T C -1.0696 Soluble
218 H C 0.0000 Buried
219 Q C -1.4997 Soluble
220 G C -0.1936 Soluble
221 L C -0.1291 Soluble
222 S C -0.4352 Soluble
223 S C -0.3871 Soluble
224 P C -0.5297 Soluble
225 V C 0.0099 Aggregation-prone
226 T C -0.4493 Soluble
227 K C -0.8860 Soluble
228 S C -0.7337 Soluble
229 F C 0.0000 Buried
230 N C -1.7002 Soluble
231 R C -2.2118 Soluble
232 G C -1.4414 Soluble
233 A C -0.8372 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 -0.7043 2.9368 CSV PDB
4.5 -0.7389 2.8693 CSV PDB
5.0 -0.7792 2.7903 CSV PDB
5.5 -0.8173 2.7068 CSV PDB
6.0 -0.8435 2.6217 CSV PDB
6.5 -0.8499 2.5362 CSV PDB
7.0 -0.8359 2.4509 CSV PDB
7.5 -0.808 2.3665 CSV PDB
8.0 -0.7722 2.2852 CSV PDB
8.5 -0.7308 2.2119 CSV PDB
9.0 -0.6846 2.2514 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH