Cetuximab / 1yy8

A4DAB063_1yy8_D_C | Source PDB: 1yy8 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.688
Max Score
2.1382
Min Score
-3.5934
Total Score
-298.61
Score CDR
-0.3512
Score non-CDR
-0.728

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.5934
Maximum Score 2.1382
Average Score -0.688
Total Score -298.6061

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

Index Residue Chain A4D Score Classification
1 Q D -1.5715 Soluble
2 V D -1.0883 Soluble
3 Q D -1.9014 Soluble
4 L D 0.0000 Buried
5 K D -2.0543 Soluble
6 Q D 0.0000 Buried
7 S D -0.7988 Soluble
8 G D -1.2244 Soluble
9 P D -0.4562 Soluble
11 G D -0.3519 Soluble
12 L D 0.0625 Aggregation-prone
13 V D -0.4691 Soluble
14 Q D -1.0089 Soluble
15 P D -1.3102 Soluble
16 S D -1.3507 Soluble
17 Q D -1.6920 Soluble
18 S D -1.5120 Soluble
19 L D 0.0000 Buried
20 S D -0.7135 Soluble
21 I D 0.0000 Buried
22 T D -0.5032 Soluble
23 C D 0.0000 Buried
24 T D -1.0876 Soluble
25 V D 0.0000 Buried
26 S D -1.2954 Soluble
27 G D -1.0919 Soluble
28 F D -0.5988 Soluble
29 S D -0.9645 Soluble
30 L D 0.0000 Buried
35 T D -0.9975 Soluble
36 N D -0.8820 Soluble
37 Y D 0.4416 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 -0.4138 Soluble
44 Q D 0.0000 Buried
45 S D -1.0513 Soluble
46 P D -0.9662 Soluble
47 G D -1.4489 Soluble
48 K D -2.1662 Soluble
49 G D -1.2544 Soluble
50 L D 0.0000 Buried
51 E D -0.8982 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 -0.5040 Soluble
58 S D -0.6487 Soluble
59 G D -1.1482 Soluble
63 G D -1.5752 Soluble
64 N D -1.8518 Soluble
65 T D -1.3203 Soluble
66 D D -1.0168 Soluble
67 Y D -0.3723 Soluble
68 N D 0.0000 Buried
69 T D -0.3632 Soluble
70 P D -0.3647 Soluble
71 F D 0.0000 Buried
72 T D -0.4598 Soluble
74 S D -0.6257 Soluble
75 R D -1.1274 Soluble
76 L D 0.0000 Buried
77 S D -1.1316 Soluble
78 I D 0.0000 Buried
79 N D -1.8173 Soluble
80 K D -1.5879 Soluble
81 D D -1.9907 Soluble
82 N D -2.5900 Soluble
83 S D -1.8841 Soluble
84 K D -2.5078 Soluble
85 S D -1.7660 Soluble
86 Q D -1.6017 Soluble
87 V D 0.0000 Buried
88 F D -0.3319 Soluble
89 F D 0.0000 Buried
90 K D -1.6385 Soluble
91 M D 0.0000 Buried
92 N D -1.9356 Soluble
93 S D -1.4235 Soluble
94 L D 0.0000 Buried
95 Q D -1.8524 Soluble
96 S D -1.3471 Soluble
97 N D -1.7043 Soluble
98 D D 0.0000 Buried
99 T D -0.4721 Soluble
100 A D 0.0000 Buried
101 I D 0.4626 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 0.9758 Aggregation-prone
109 T D 1.1326 Aggregation-prone
110 Y D 1.8461 Aggregation-prone
111 Y D 1.9577 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6003 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.0100 Aggregation-prone
117 Y D -0.0919 Soluble
118 W D -0.6832 Soluble
119 G D 0.0000 Buried
120 Q D -1.7835 Soluble
121 G D -0.8780 Soluble
122 T D 0.0000 Buried
123 L D 0.1524 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.1930 Soluble
126 V D 0.0000 Buried
127 S D -0.4899 Soluble
128 A D -0.2750 Soluble
129 A D -0.2106 Soluble
130 S D -0.4174 Soluble
131 T D -0.6714 Soluble
132 K D -1.1574 Soluble
133 G D -1.2309 Soluble
134 P D -0.5343 Soluble
135 S D -0.3681 Soluble
136 V D 0.0000 Buried
137 F D -0.7557 Soluble
138 P D -1.3006 Soluble
139 L D 0.0000 Buried
140 A D -1.1866 Soluble
141 P D 0.0000 Buried
142 S D -1.5343 Soluble
143 S D -1.3506 Soluble
144 K D -1.9293 Soluble
145 S D 0.0000 Buried
146 T D -0.9844 Soluble
147 S D -0.8287 Soluble
148 G D -0.7965 Soluble
149 G D -0.8757 Soluble
150 T D -0.5876 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 -0.3355 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.3675 Soluble
164 P D -0.4197 Soluble
165 V D -0.4594 Soluble
166 T D -0.4351 Soluble
167 V D -0.2922 Soluble
168 S D -0.3599 Soluble
169 W D 0.0000 Buried
170 N D -0.8378 Soluble
171 S D -0.6713 Soluble
172 G D -0.5155 Soluble
173 A D -0.2198 Soluble
174 L D -0.0101 Soluble
175 T D -0.1930 Soluble
176 S D -0.2525 Soluble
177 G D -0.3762 Soluble
178 V D 0.0934 Aggregation-prone
179 H D -0.3524 Soluble
180 T D -0.0041 Soluble
181 F D 0.0000 Buried
182 P D -0.3597 Soluble
183 A D 0.0961 Aggregation-prone
184 V D 0.3760 Aggregation-prone
185 L D 1.0825 Aggregation-prone
186 Q D 0.2313 Aggregation-prone
187 S D -0.0882 Soluble
188 S D -0.2167 Soluble
189 G D 0.0243 Aggregation-prone
190 L D 0.1584 Aggregation-prone
191 Y D 0.4902 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 -0.1805 Soluble
199 V D 0.0000 Buried
200 P D -0.5240 Soluble
201 S D -0.5632 Soluble
202 S D -0.5770 Soluble
203 S D -0.5393 Soluble
204 L D -0.7565 Soluble
205 G D -0.9203 Soluble
206 T D -0.6684 Soluble
207 Q D -1.1025 Soluble
208 T D -1.1178 Soluble
209 Y D 0.0000 Buried
210 I D -1.4798 Soluble
211 C D 0.0000 Buried
212 N D -1.5245 Soluble
213 V D 0.0000 Buried
214 N D -1.7535 Soluble
215 H D 0.0000 Buried
216 K D -2.3512 Soluble
217 P D -1.3658 Soluble
218 S D -1.6336 Soluble
219 N D -2.4581 Soluble
220 T D -1.9337 Soluble
221 K D -2.5889 Soluble
222 V D -1.6446 Soluble
223 D D -2.6200 Soluble
224 K D -2.3153 Soluble
225 R D -2.7322 Soluble
226 V D 0.0000 Buried
227 E D -2.8724 Soluble
228 P D -1.9376 Soluble
229 K D -2.3551 Soluble
230 S D -1.5667 Soluble
1 D C -1.4820 Soluble
2 I C 0.0000 Buried
3 L C 0.7021 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.0511 Soluble
6 Q C 0.0000 Buried
7 S C 0.4608 Aggregation-prone
8 P C 1.0429 Aggregation-prone
9 V C 2.1382 Aggregation-prone
10 I C 1.8119 Aggregation-prone
11 L C 0.8726 Aggregation-prone
12 S C -0.1858 Soluble
13 V C 0.0000 Buried
14 S C -1.8458 Soluble
15 P C -2.0519 Soluble
16 G C -2.2518 Soluble
17 E C -3.1795 Soluble
18 R C -3.3138 Soluble
19 V C 0.0000 Buried
20 S C -0.9293 Soluble
21 F C 0.0000 Buried
22 S C -0.6462 Soluble
23 C C 0.0000 Buried
24 R C -1.8254 Soluble
25 A C 0.0000 Buried
26 S C -1.0136 Soluble
27 Q C -1.9016 Soluble
28 S C -1.6315 Soluble
29 I C 0.0000 Buried
36 G C -1.1143 Soluble
37 T C -0.8580 Soluble
38 N C -0.8515 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 0.0000 Buried
45 R C -1.7753 Soluble
46 T C -1.5346 Soluble
47 N C -1.8766 Soluble
48 G C -1.4868 Soluble
49 S C -1.1055 Soluble
50 P C 0.0000 Buried
51 R C -1.4916 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.8284 Soluble
56 Y C -0.7230 Soluble
57 A C 0.0000 Buried
65 S C -1.2286 Soluble
66 E C -1.8963 Soluble
67 S C -1.1575 Soluble
68 I C -0.5261 Soluble
69 S C -0.3268 Soluble
70 G C -0.4831 Soluble
71 I C -0.3858 Soluble
72 P C -0.4172 Soluble
74 S C -0.6404 Soluble
75 R C -1.2178 Soluble
76 F C 0.0000 Buried
77 S C -0.9415 Soluble
78 G C 0.0000 Buried
79 S C -0.8893 Soluble
80 G C -1.1219 Soluble
83 S C -1.0595 Soluble
84 G C -1.3968 Soluble
85 T C -1.8949 Soluble
86 D C -2.6201 Soluble
87 F C 0.0000 Buried
88 T C -0.8371 Soluble
89 L C 0.0000 Buried
90 S C -0.9536 Soluble
91 I C 0.0000 Buried
92 N C -2.6613 Soluble
93 S C -2.4581 Soluble
94 V C 0.0000 Buried
95 E C -2.1132 Soluble
96 S C -2.0911 Soluble
97 E C -2.0588 Soluble
98 D C 0.0000 Buried
99 I C -1.2703 Soluble
100 A C 0.0000 Buried
101 D C -0.6996 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 -0.6369 Soluble
108 N C -1.3232 Soluble
109 N C -1.1408 Soluble
114 W C 0.1220 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.1567 Soluble
118 F C 0.2579 Aggregation-prone
119 G C 0.0000 Buried
120 A C -0.2369 Soluble
121 G C -0.0860 Soluble
122 T C 0.0000 Buried
123 K C -0.0675 Soluble
124 L C 0.0000 Buried
125 E C -0.7185 Soluble
126 L C 0.0000 Buried
127 K C -1.5899 Soluble
128 R C -1.1739 Soluble
129 T C 0.1506 Aggregation-prone
130 V C 0.9932 Aggregation-prone
131 A C 0.4502 Aggregation-prone
132 A C 0.0410 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2197 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 -0.5610 Soluble
140 P C -0.8796 Soluble
141 S C -1.9174 Soluble
142 D C -3.0654 Soluble
143 E C -3.2096 Soluble
144 Q C 0.0000 Buried
145 L C -2.4534 Soluble
146 K C -2.9239 Soluble
147 S C -1.8297 Soluble
148 G C -1.3204 Soluble
149 T C -0.8911 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 -1.0507 Soluble
159 F C 0.0000 Buried
160 Y C -0.9608 Soluble
161 P C -1.5758 Soluble
162 R C -2.9667 Soluble
163 E C -3.1386 Soluble
164 A C -2.0959 Soluble
165 K C -1.9279 Soluble
166 V C -0.8492 Soluble
167 Q C -0.5802 Soluble
168 W C 0.0000 Buried
169 K C -0.5568 Soluble
170 V C 0.0000 Buried
171 D C -1.8363 Soluble
172 N C -1.4836 Soluble
173 A C -0.2030 Soluble
174 L C 0.7392 Aggregation-prone
175 Q C -0.3436 Soluble
176 S C -0.6758 Soluble
177 G C -1.3617 Soluble
178 N C -1.7574 Soluble
179 S C -1.6271 Soluble
180 Q C -1.6864 Soluble
181 E C -2.0161 Soluble
182 S C -1.0643 Soluble
183 V C -0.8798 Soluble
184 T C -1.0998 Soluble
185 E C -2.1486 Soluble
186 Q C 0.0000 Buried
187 D C -1.9508 Soluble
188 S C -2.1830 Soluble
189 K C -2.6031 Soluble
190 D C -1.9489 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 -0.8378 Soluble
199 L C 0.0000 Buried
200 T C -0.5734 Soluble
201 L C -0.7866 Soluble
202 S C -1.0059 Soluble
203 K C -2.0793 Soluble
204 A C -1.8606 Soluble
205 D C -2.4202 Soluble
206 Y C 0.0000 Buried
207 E C -3.4650 Soluble
208 K C -3.5934 Soluble
209 H C -3.1068 Soluble
210 K C -3.0167 Soluble
211 V C -1.3435 Soluble
212 Y C 0.0000 Buried
213 A C -0.7215 Soluble
214 C C 0.0000 Buried
215 E C -0.7732 Soluble
216 V C 0.0000 Buried
217 T C -0.9939 Soluble
218 H C 0.0000 Buried
219 Q C -1.5398 Soluble
220 G C -0.1924 Soluble
221 L C -0.1233 Soluble
222 S C -0.4322 Soluble
223 S C -0.4001 Soluble
224 P C -0.4781 Soluble
225 V C 0.0458 Aggregation-prone
226 T C -0.3825 Soluble
227 K C -0.7785 Soluble
228 S C -0.7152 Soluble
229 F C -0.9170 Soluble
230 N C -1.5267 Soluble
231 R C -2.1424 Soluble
232 G C -1.3558 Soluble
233 A C -0.7441 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
Display Options

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 -0.6915 2.7046 CSV PDB
4.5 -0.7285 2.642 CSV PDB
5.0 -0.7731 2.5643 CSV PDB
5.5 -0.816 2.4802 CSV PDB
6.0 -0.8461 2.4241 CSV PDB
6.5 -0.8551 2.4336 CSV PDB
7.0 -0.8427 2.4571 CSV PDB
7.5 -0.8163 2.4897 CSV PDB
8.0 -0.7826 2.5267 CSV PDB
8.5 -0.7442 2.5668 CSV PDB
9.0 -0.7011 2.6105 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH