Cetuximab / 5t1k

A4DAB063_5t1k_B_A | Source PDB: 5t1k | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6473
Max Score
2.0555
Min Score
-3.7148
Total Score
-277.68
Score CDR
-0.2839
Score non-CDR
-0.6909

Calculation Parameters

Chain Sequence(s) VQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) B (Heavy), A (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 -3.7148
Maximum Score 2.0555
Average Score -0.6473
Total Score -277.6797

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

Index Residue Chain A4D Score Classification
2 V B 0.8151 Aggregation-prone
3 Q B -0.6407 Soluble
4 L B 0.0000 Buried
5 K B -2.0783 Soluble
6 Q B 0.0000 Buried
7 S B -0.6746 Soluble
8 G B -0.8919 Soluble
9 P B -0.4072 Soluble
11 G B -0.3504 Soluble
12 L B -0.0512 Soluble
13 V B -0.8241 Soluble
14 Q B -1.7107 Soluble
15 P B -1.5406 Soluble
16 S B -1.4986 Soluble
17 Q B -1.7570 Soluble
18 S B -1.3819 Soluble
19 L B 0.0000 Buried
20 S B -0.4783 Soluble
21 I B 0.0000 Buried
22 T B -0.4147 Soluble
23 C B 0.0000 Buried
24 T B -1.0596 Soluble
25 V B 0.0000 Buried
26 S B -0.3911 Soluble
27 G B -0.0457 Soluble
28 F B -0.0537 Soluble
29 S B -0.8397 Soluble
30 L B 0.0000 Buried
35 T B -1.0245 Soluble
36 N B -0.9174 Soluble
37 Y B 0.3802 Aggregation-prone
38 G B 0.0000 Buried
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.4784 Soluble
45 S B -1.0326 Soluble
46 P B -1.1434 Soluble
47 G B -1.7233 Soluble
48 K B -2.2960 Soluble
49 G B -1.1799 Soluble
50 L B 0.0000 Buried
51 E B -0.6389 Soluble
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 W B -0.3885 Soluble
58 S B -0.6959 Soluble
59 G B -1.2838 Soluble
63 G B -1.6087 Soluble
64 N B -1.8276 Soluble
65 T B -1.2357 Soluble
66 D B -0.8977 Soluble
67 Y B -0.3604 Soluble
68 N B -0.2299 Soluble
69 T B -0.2453 Soluble
70 P B -0.3935 Soluble
71 F B 0.0000 Buried
72 T B -0.4492 Soluble
74 S B -0.5408 Soluble
75 R B -0.8078 Soluble
76 L B 0.0000 Buried
77 S B -0.8261 Soluble
78 I B 0.0000 Buried
79 N B -1.7547 Soluble
80 K B -1.6312 Soluble
81 D B -2.0154 Soluble
82 N B -2.6515 Soluble
83 S B -1.8984 Soluble
84 K B -2.4892 Soluble
85 S B -1.7133 Soluble
86 Q B -1.5843 Soluble
87 V B 0.0000 Buried
88 F B -0.1880 Soluble
89 F B 0.0000 Buried
90 K B -1.1019 Soluble
91 M B 0.0000 Buried
92 N B -1.3566 Soluble
93 S B -1.3442 Soluble
94 L B 0.0000 Buried
95 Q B -2.1949 Soluble
96 S B -1.6127 Soluble
97 N B -2.0835 Soluble
98 D B 0.0000 Buried
99 T B -0.5955 Soluble
100 A B 0.0000 Buried
101 I B 0.6299 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 A B 0.0000 Buried
108 L B 1.0506 Aggregation-prone
109 T B 1.1622 Aggregation-prone
110 Y B 1.8584 Aggregation-prone
111 Y B 1.9742 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.6685 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.3182 Aggregation-prone
117 Y B 0.3513 Aggregation-prone
118 W B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.7439 Soluble
121 G B -0.6898 Soluble
122 T B 0.0000 Buried
123 L B 0.3528 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2922 Soluble
126 V B 0.0000 Buried
127 S B -0.7376 Soluble
128 A B -0.4207 Soluble
129 A B -0.3057 Soluble
130 S B -0.5010 Soluble
131 T B -0.6931 Soluble
132 K B -1.1796 Soluble
133 G B -1.3757 Soluble
134 P B 0.0000 Buried
135 S B -0.2917 Soluble
136 V B 0.0000 Buried
137 F B -0.5497 Soluble
138 P B -1.1638 Soluble
139 L B 0.0000 Buried
140 A B -1.2352 Soluble
141 P B 0.0000 Buried
142 S B -0.8824 Soluble
143 S B -0.5756 Soluble
144 S B -0.6873 Soluble
145 G B -0.8514 Soluble
146 G B -0.9301 Soluble
147 T B -0.6426 Soluble
148 A B -0.3983 Soluble
149 A B 0.0000 Buried
150 L B 0.0000 Buried
151 G B 0.0000 Buried
152 C B 0.0000 Buried
153 L B 0.0000 Buried
154 V B 0.0000 Buried
155 K B 0.0000 Buried
156 D B -0.3188 Soluble
157 Y B 0.0000 Buried
158 F B -0.1662 Soluble
159 P B 0.0000 Buried
160 E B -0.3393 Soluble
161 P B -0.5813 Soluble
162 V B 0.0000 Buried
163 T B -0.6419 Soluble
164 V B -0.2596 Soluble
165 S B -0.3902 Soluble
166 W B 0.0000 Buried
167 N B -0.8369 Soluble
168 S B -0.6628 Soluble
169 G B -0.5216 Soluble
170 A B -0.2211 Soluble
171 L B 0.0165 Aggregation-prone
172 T B -0.1624 Soluble
173 S B -0.1898 Soluble
174 G B -0.2380 Soluble
175 V B 0.1304 Aggregation-prone
176 H B -0.3121 Soluble
177 T B -0.0072 Soluble
178 F B 0.0000 Buried
179 P B -0.2486 Soluble
180 A B 0.2399 Aggregation-prone
181 V B 0.5827 Aggregation-prone
182 L B 1.0766 Aggregation-prone
183 Q B 0.2313 Aggregation-prone
184 S B -0.0905 Soluble
185 S B -0.2228 Soluble
186 G B 0.0721 Aggregation-prone
187 L B 0.2093 Aggregation-prone
188 Y B 0.5081 Aggregation-prone
189 S B 0.0000 Buried
190 L B 0.0000 Buried
191 S B 0.0000 Buried
192 S B 0.0000 Buried
193 V B 0.0000 Buried
194 V B 0.0000 Buried
195 T B -0.1278 Soluble
196 V B 0.0000 Buried
197 P B -0.5527 Soluble
198 S B -0.6435 Soluble
199 S B -0.6061 Soluble
200 S B -0.6350 Soluble
201 L B -0.7612 Soluble
202 G B -0.9353 Soluble
203 T B -0.7479 Soluble
204 Q B -1.0744 Soluble
205 T B -1.1801 Soluble
206 Y B 0.0000 Buried
207 I B -1.4070 Soluble
208 C B 0.0000 Buried
209 N B -1.5390 Soluble
210 V B 0.0000 Buried
211 N B -1.9751 Soluble
212 H B 0.0000 Buried
213 K B -2.8010 Soluble
214 P B -1.5755 Soluble
215 S B -1.8174 Soluble
216 N B -2.5702 Soluble
217 T B -2.0726 Soluble
218 K B -2.7304 Soluble
219 V B -1.7480 Soluble
220 D B -2.5884 Soluble
221 K B -2.2369 Soluble
222 R B -2.6782 Soluble
223 V B 0.0000 Buried
224 E B -2.8355 Soluble
225 P B -1.9763 Soluble
226 K B -2.6207 Soluble
227 S B -1.3312 Soluble
1 D A -1.4830 Soluble
2 I A 0.0000 Buried
3 L A 0.5571 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.4695 Soluble
6 Q A -0.0656 Soluble
7 S A 0.1107 Aggregation-prone
8 P A 0.8972 Aggregation-prone
9 V A 2.0555 Aggregation-prone
10 I A 1.8094 Aggregation-prone
11 L A 0.8694 Aggregation-prone
12 S A -0.1122 Soluble
13 V A -1.2399 Soluble
14 S A -1.7556 Soluble
15 P A -2.0522 Soluble
16 G A -2.2568 Soluble
17 E A -3.1249 Soluble
18 R A -3.4398 Soluble
19 V A 0.0000 Buried
20 S A -0.7810 Soluble
21 F A 0.0000 Buried
22 S A -0.9272 Soluble
23 C A 0.0000 Buried
24 R A -2.6447 Soluble
25 A A 0.0000 Buried
26 S A -1.1273 Soluble
27 Q A -1.8296 Soluble
28 S A -1.6454 Soluble
29 I A 0.0000 Buried
36 G A -0.9973 Soluble
37 T A -0.7475 Soluble
38 N A -0.7554 Soluble
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.3464 Soluble
45 R A -1.9271 Soluble
46 T A -1.6744 Soluble
47 N A -1.9605 Soluble
48 G A -1.5732 Soluble
49 S A -1.0284 Soluble
50 P A 0.0000 Buried
51 R A -0.8441 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7205 Soluble
56 Y A -0.4864 Soluble
57 A A 0.0000 Buried
65 S A -1.2754 Soluble
66 E A -1.9955 Soluble
67 S A -1.1983 Soluble
68 I A -0.5535 Soluble
69 S A -0.3474 Soluble
70 G A -0.4723 Soluble
71 I A -0.2703 Soluble
72 P A -0.3285 Soluble
74 S A -0.6469 Soluble
75 R A -1.2641 Soluble
76 F A 0.0000 Buried
77 S A -0.9995 Soluble
78 G A -0.7518 Soluble
79 S A -0.9119 Soluble
80 G A -1.1744 Soluble
83 S A -1.1974 Soluble
84 G A -1.4288 Soluble
85 T A -2.0948 Soluble
86 D A -2.8752 Soluble
87 F A 0.0000 Buried
88 T A -0.9604 Soluble
89 L A 0.0000 Buried
90 S A -1.0000 Soluble
91 I A 0.0000 Buried
92 N A -2.8075 Soluble
93 S A -2.4944 Soluble
94 V A 0.0000 Buried
95 E A -2.3978 Soluble
96 S A -2.0677 Soluble
97 E A -1.9909 Soluble
98 D A 0.0000 Buried
99 I A -1.3004 Soluble
100 A A 0.0000 Buried
101 D A -0.8073 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A -0.6258 Soluble
108 N A -1.2517 Soluble
109 N A -1.2149 Soluble
114 W A 0.0109 Aggregation-prone
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0830 Soluble
118 F A 0.1552 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0098 Aggregation-prone
121 G A 0.1182 Aggregation-prone
122 T A 0.0000 Buried
123 K A 0.1231 Aggregation-prone
124 L A 0.0000 Buried
125 E A -0.5744 Soluble
126 L A 0.0000 Buried
127 K A -1.4396 Soluble
128 R A -1.0004 Soluble
129 T A 0.1937 Aggregation-prone
130 V A 0.9772 Aggregation-prone
131 A A 0.2332 Aggregation-prone
132 A A -0.0006 Soluble
133 P A 0.0000 Buried
134 S A -0.1958 Soluble
135 V A 0.0000 Buried
136 F A 0.0058 Aggregation-prone
137 I A 0.0597 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.4677 Soluble
140 P A 0.0000 Buried
141 S A -1.6004 Soluble
142 D A -2.7862 Soluble
143 E A -2.3091 Soluble
144 Q A 0.0000 Buried
145 L A -2.0739 Soluble
146 K A -2.5926 Soluble
147 S A -1.5801 Soluble
148 G A -1.2569 Soluble
149 T A -0.9242 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.9869 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.6041 Soluble
162 R A -2.8532 Soluble
163 E A -2.9148 Soluble
164 A A -1.4973 Soluble
166 V A -0.1297 Soluble
167 Q A -0.3406 Soluble
168 W A 0.0000 Buried
169 K A -0.6818 Soluble
170 V A 0.0000 Buried
171 D A -1.8799 Soluble
172 N A -1.5155 Soluble
173 A A -0.2788 Soluble
174 L A 0.6591 Aggregation-prone
175 Q A -0.1815 Soluble
176 S A -0.4454 Soluble
177 G A -0.9172 Soluble
178 N A -0.8600 Soluble
179 S A -1.0352 Soluble
180 Q A -1.2255 Soluble
181 E A -1.5036 Soluble
182 S A -0.7948 Soluble
183 V A -0.7135 Soluble
184 T A -0.9832 Soluble
185 E A -1.9532 Soluble
186 Q A 0.0000 Buried
187 D A -1.8994 Soluble
188 S A -2.1599 Soluble
189 K A -2.6162 Soluble
190 D A -1.9949 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.5687 Soluble
199 L A 0.0000 Buried
200 T A -0.3122 Soluble
201 L A -0.6593 Soluble
202 S A -1.2545 Soluble
203 K A -2.0966 Soluble
204 A A -1.9495 Soluble
205 D A -2.7208 Soluble
206 Y A 0.0000 Buried
207 E A -3.6010 Soluble
208 K A -3.7148 Soluble
209 H A -3.0213 Soluble
210 K A -2.9729 Soluble
211 V A -1.3084 Soluble
212 Y A 0.0000 Buried
213 A A -0.8398 Soluble
214 C A 0.0000 Buried
215 E A -0.6793 Soluble
216 V A 0.0000 Buried
217 T A -0.5939 Soluble
218 H A 0.0000 Buried
219 Q A -1.4722 Soluble
220 G A -0.2612 Soluble
221 L A -0.1596 Soluble
222 S A -0.4456 Soluble
223 S A -0.3843 Soluble
224 P A -0.2667 Soluble
225 V A 0.0631 Aggregation-prone
226 T A -0.4301 Soluble
227 K A -0.6891 Soluble
228 S A -0.5649 Soluble
229 F A -0.5860 Soluble
230 N A -1.3720 Soluble
231 R A -2.0027 Soluble
232 G A -1.2284 Soluble
233 A A -0.6323 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.6591 2.5956 CSV PDB
4.5 -0.6945 2.5895 CSV PDB
5.0 -0.7369 2.579 CSV PDB
5.5 -0.778 2.5666 CSV PDB
6.0 -0.8082 2.5575 CSV PDB
6.5 -0.8194 2.5575 CSV PDB
7.0 -0.8112 2.5685 CSV PDB
7.5 -0.7898 2.5869 CSV PDB
8.0 -0.7613 2.6085 CSV PDB
8.5 -0.7281 2.6315 CSV PDB
9.0 -0.6899 2.6556 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH