Cetuximab / 5i2i

A4DAB063_5i2i_B_A | Source PDB: 5i2i | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6537
Max Score
2.1291
Min Score
-3.6289
Total Score
-283.07
Score CDR
-0.318
Score non-CDR
-0.6936

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.6289
Maximum Score 2.1291
Average Score -0.6537
Total Score -283.0695

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

Index Residue Chain A4D Score Classification
1 Q B -1.4163 Soluble
2 V B -0.7986 Soluble
3 Q B -1.3616 Soluble
4 L B 0.0000 Buried
5 K B -1.8216 Soluble
6 Q B 0.0000 Buried
7 S B -0.8164 Soluble
8 G B -1.1042 Soluble
9 P B -0.4626 Soluble
11 G B -0.4090 Soluble
12 L B -0.0126 Soluble
13 V B 0.0000 Buried
14 Q B -1.2763 Soluble
15 P B -1.3240 Soluble
16 S B -1.4945 Soluble
17 Q B -1.9386 Soluble
18 S B -1.4636 Soluble
19 L B 0.0000 Buried
20 S B -0.3996 Soluble
21 I B 0.0000 Buried
22 T B -0.3726 Soluble
23 C B 0.0000 Buried
24 T B -0.9771 Soluble
25 V B 0.0000 Buried
26 S B -1.0495 Soluble
27 G B -0.9254 Soluble
28 F B -0.5001 Soluble
29 S B -0.8501 Soluble
30 L B 0.0000 Buried
35 T B -0.8693 Soluble
36 N B -0.8283 Soluble
37 Y B 0.4480 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 -0.4585 Soluble
45 S B 0.0000 Buried
46 P B -1.1875 Soluble
47 G B -1.7611 Soluble
48 K B -2.2674 Soluble
49 G B -1.2397 Soluble
50 L B 0.0000 Buried
51 E B 0.0000 Buried
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 -0.5015 Soluble
58 S B -0.5989 Soluble
59 G B -1.2047 Soluble
63 G B -1.5213 Soluble
64 N B -1.8672 Soluble
65 T B -1.3397 Soluble
66 D B -1.0809 Soluble
67 Y B -0.3938 Soluble
68 N B 0.0000 Buried
69 T B -0.2082 Soluble
70 P B -0.3572 Soluble
71 F B 0.0000 Buried
72 T B -0.4462 Soluble
74 S B -0.5024 Soluble
75 R B -0.7747 Soluble
76 L B 0.0000 Buried
77 S B -0.7038 Soluble
78 I B 0.0000 Buried
79 N B -1.6243 Soluble
80 K B -1.4615 Soluble
81 D B -1.7665 Soluble
82 N B -2.1329 Soluble
83 S B -1.6451 Soluble
84 K B -2.3341 Soluble
85 S B -1.5172 Soluble
86 Q B -1.4269 Soluble
87 V B 0.0000 Buried
88 F B -0.0690 Soluble
89 F B 0.0000 Buried
90 K B -0.8406 Soluble
91 M B 0.0000 Buried
92 N B -1.3618 Soluble
93 S B -1.3943 Soluble
94 L B 0.0000 Buried
95 Q B -1.9951 Soluble
96 S B -1.4583 Soluble
97 N B -2.0535 Soluble
98 D B 0.0000 Buried
99 T B -0.6000 Soluble
100 A B 0.0000 Buried
101 I B 0.5203 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 1.0763 Aggregation-prone
109 T B 1.1378 Aggregation-prone
110 Y B 1.8198 Aggregation-prone
111 Y B 1.8887 Aggregation-prone
112 D B 0.9905 Aggregation-prone
113 Y B 0.5095 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2983 Aggregation-prone
117 Y B 0.2384 Aggregation-prone
118 W B -0.3816 Soluble
119 G B 0.0000 Buried
120 Q B -1.6809 Soluble
121 G B -0.8226 Soluble
122 T B 0.0000 Buried
123 L B 0.2846 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2721 Soluble
126 V B 0.0000 Buried
127 S B -0.4494 Soluble
128 A B -0.3559 Soluble
129 A B -0.2661 Soluble
130 S B -0.4874 Soluble
131 T B -0.7606 Soluble
132 K B -1.3207 Soluble
133 G B -1.3307 Soluble
134 P B 0.0000 Buried
135 S B -0.4076 Soluble
136 V B 0.0000 Buried
137 F B -0.5706 Soluble
138 P B -1.1634 Soluble
139 L B 0.0000 Buried
140 A B -1.3195 Soluble
141 P B 0.0000 Buried
142 S B -1.1602 Soluble
143 S B -0.7450 Soluble
144 K B -1.1642 Soluble
145 S B 0.0000 Buried
146 T B -0.7349 Soluble
147 S B -0.8061 Soluble
148 G B -0.8513 Soluble
149 G B -0.9159 Soluble
150 T B -0.6332 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.6274 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.2192 Soluble
164 P B -0.4509 Soluble
165 V B -0.4479 Soluble
166 T B -0.4031 Soluble
167 V B -0.0630 Soluble
168 S B -0.3020 Soluble
169 W B 0.0000 Buried
170 N B -0.7004 Soluble
171 S B -0.6159 Soluble
172 G B -0.4963 Soluble
173 A B -0.2090 Soluble
174 L B -0.0090 Soluble
175 T B -0.1598 Soluble
176 S B -0.1877 Soluble
177 G B -0.2340 Soluble
178 V B 0.1668 Aggregation-prone
179 H B -0.2585 Soluble
180 T B 0.0063 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.1944 Soluble
183 A B 0.3222 Aggregation-prone
184 V B 0.5770 Aggregation-prone
185 L B 1.1418 Aggregation-prone
186 Q B 0.1668 Aggregation-prone
187 S B -0.0856 Soluble
188 S B -0.2727 Soluble
189 G B -0.0091 Soluble
190 L B 0.0651 Aggregation-prone
191 Y B 0.4342 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1222 Soluble
199 V B 0.0000 Buried
200 P B -0.6421 Soluble
201 S B -0.6077 Soluble
202 S B -0.6058 Soluble
203 S B -0.6576 Soluble
204 L B -0.8232 Soluble
205 G B -0.9684 Soluble
206 T B -0.7631 Soluble
207 Q B -1.3072 Soluble
208 T B -1.1511 Soluble
209 Y B 0.0000 Buried
210 I B -1.2834 Soluble
211 C B 0.0000 Buried
212 N B -1.3284 Soluble
213 V B 0.0000 Buried
214 N B -1.6238 Soluble
215 H B 0.0000 Buried
216 K B -2.3080 Soluble
217 P B -1.3805 Soluble
218 S B -1.6577 Soluble
219 N B -2.3346 Soluble
220 T B -1.9067 Soluble
221 K B -2.5044 Soluble
222 V B -1.5419 Soluble
223 D B -2.1988 Soluble
224 K B -2.0170 Soluble
225 R B -2.4363 Soluble
226 V B 0.0000 Buried
227 E B -2.8798 Soluble
228 P B -1.9528 Soluble
229 K B -2.2834 Soluble
1 D A -1.4260 Soluble
2 I A -0.4819 Soluble
3 L A 0.6512 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.3066 Soluble
6 Q A 0.0000 Buried
7 S A 0.2193 Aggregation-prone
8 P A 0.9973 Aggregation-prone
9 V A 2.1291 Aggregation-prone
10 I A 1.7356 Aggregation-prone
11 L A 0.7712 Aggregation-prone
12 S A -0.2560 Soluble
13 V A -1.3490 Soluble
14 S A -1.8300 Soluble
15 P A -2.0264 Soluble
16 G A -2.2401 Soluble
17 E A -3.1052 Soluble
18 R A -3.1985 Soluble
19 V A 0.0000 Buried
20 S A -0.6871 Soluble
21 F A 0.0000 Buried
22 S A -0.8861 Soluble
23 C A 0.0000 Buried
24 R A -2.3277 Soluble
25 A A -1.1775 Soluble
26 S A -0.9652 Soluble
27 Q A -1.7656 Soluble
28 S A -1.5963 Soluble
29 I A 0.0000 Buried
36 G A -0.9715 Soluble
37 T A -0.6848 Soluble
38 N A -0.8250 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 0.0000 Buried
45 R A -1.9535 Soluble
46 T A -1.5916 Soluble
47 N A -1.9075 Soluble
48 G A -1.4450 Soluble
49 S A -0.8971 Soluble
50 P A 0.0000 Buried
51 R A -0.5017 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.6460 Soluble
56 Y A -0.6065 Soluble
57 A A 0.0000 Buried
65 S A -1.2618 Soluble
66 E A -2.0115 Soluble
67 S A -1.1894 Soluble
68 I A -0.5395 Soluble
69 S A -0.5318 Soluble
70 G A -0.4789 Soluble
71 I A -0.2392 Soluble
72 P A -0.3414 Soluble
74 S A -0.5232 Soluble
75 R A -0.9623 Soluble
76 F A 0.0000 Buried
77 S A -0.8176 Soluble
78 G A -0.7368 Soluble
79 S A -0.8165 Soluble
80 G A -0.9749 Soluble
83 S A -0.9916 Soluble
84 G A -1.2146 Soluble
85 T A -1.7276 Soluble
86 D A -2.0951 Soluble
87 F A 0.0000 Buried
88 T A -0.7824 Soluble
89 L A 0.0000 Buried
90 S A -0.7906 Soluble
91 I A 0.0000 Buried
92 N A -2.0720 Soluble
93 S A -2.1888 Soluble
94 V A 0.0000 Buried
95 E A -2.9273 Soluble
96 S A -2.7268 Soluble
97 E A -3.0416 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A -0.6532 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 -0.8621 Soluble
108 N A -1.5752 Soluble
109 N A -1.5403 Soluble
114 W A -0.1703 Soluble
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.1688 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 A A 0.0195 Aggregation-prone
121 G A 0.1912 Aggregation-prone
122 T A 0.0000 Buried
123 K A 0.0875 Aggregation-prone
124 L A 0.0000 Buried
125 E A -0.9053 Soluble
126 L A 0.0000 Buried
127 K A -1.4553 Soluble
128 R A -1.1148 Soluble
129 T A -0.0895 Soluble
130 V A 0.3577 Aggregation-prone
131 A A -0.0491 Soluble
132 A A -0.0896 Soluble
133 P A 0.0000 Buried
134 S A -0.1409 Soluble
135 V A -0.1801 Soluble
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.6602 Soluble
140 P A 0.0000 Buried
141 S A -1.5367 Soluble
142 D A -2.4217 Soluble
143 E A -2.4379 Soluble
144 Q A 0.0000 Buried
145 L A -2.0962 Soluble
146 K A -2.6151 Soluble
147 S A -1.6143 Soluble
148 G A -1.1755 Soluble
149 T A -0.9461 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 -0.9853 Soluble
159 F A 0.0000 Buried
160 Y A -1.0987 Soluble
161 P A -1.7040 Soluble
162 R A -2.8688 Soluble
163 E A -3.2559 Soluble
164 A A -2.3316 Soluble
165 K A -2.2323 Soluble
166 V A -0.9681 Soluble
167 Q A -0.6186 Soluble
168 W A 0.0000 Buried
169 K A -0.6475 Soluble
170 V A 0.0000 Buried
171 D A -1.9661 Soluble
172 N A -1.4068 Soluble
173 A A -0.3520 Soluble
174 L A 0.5752 Aggregation-prone
175 Q A -0.4234 Soluble
176 S A -0.7087 Soluble
177 G A -1.4254 Soluble
178 N A -1.8648 Soluble
179 S A -1.6550 Soluble
180 Q A -1.7594 Soluble
181 E A -1.7681 Soluble
182 S A -0.8053 Soluble
183 V A -0.6645 Soluble
184 T A -0.8656 Soluble
185 E A -1.7425 Soluble
186 Q A 0.0000 Buried
187 D A -1.9563 Soluble
188 S A -2.5621 Soluble
189 K A -2.8557 Soluble
190 D A -1.9935 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 -0.8274 Soluble
199 L A 0.0000 Buried
200 T A -0.7904 Soluble
201 L A 0.0000 Buried
202 S A -1.2035 Soluble
203 K A -1.9820 Soluble
204 A A -1.8106 Soluble
205 D A -2.2533 Soluble
206 Y A 0.0000 Buried
207 E A -3.6289 Soluble
208 K A -3.6206 Soluble
209 H A -2.9851 Soluble
210 K A -3.0261 Soluble
211 V A -1.3984 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.7760 Soluble
216 V A 0.0000 Buried
217 T A -1.1878 Soluble
218 H A 0.0000 Buried
219 Q A -1.5761 Soluble
220 G A -0.4135 Soluble
221 L A -0.2130 Soluble
222 S A -0.4402 Soluble
223 S A -0.4001 Soluble
224 P A -0.5270 Soluble
225 V A 0.0832 Aggregation-prone
226 T A -0.3440 Soluble
227 K A -0.8022 Soluble
228 S A -0.6939 Soluble
229 F A 0.0000 Buried
230 N A -1.5705 Soluble
231 R A -2.2988 Soluble
232 G A -1.4226 Soluble
233 A A -0.7657 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
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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 -0.6606 2.483 CSV PDB
4.5 -0.6937 2.4774 CSV PDB
5.0 -0.7345 2.4691 CSV PDB
5.5 -0.7747 2.461 CSV PDB
6.0 -0.8041 2.4576 CSV PDB
6.5 -0.8146 2.4642 CSV PDB
7.0 -0.8051 2.4825 CSV PDB
7.5 -0.7815 2.5084 CSV PDB
8.0 -0.7502 2.5378 CSV PDB
8.5 -0.7137 2.5688 CSV PDB
9.0 -0.6727 2.6008 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH