Cetuximab / 4gw5

Calculation Parameters

Chain Sequence(s)	`QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE` 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

Chain: Show buried residues (score = 0)

Aggregation-prone (score > 0)

Soluble (score < 0)

Buried (score = 0)

Per-Residue A4D Scores

Download CSV

Minimum Score -3.7129

Maximum Score 1.8941

Average Score -0.6943

Total Score -297.1479

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	D	-1.3589	Soluble
2	V	D	-0.6703	Soluble
3	Q	D	-1.2055	Soluble
4	L	D	0.0000	Buried
5	K	D	-1.6718	Soluble
6	Q	D	0.0000	Buried
7	S	D	-0.6329	Soluble
8	G	D	-0.9193	Soluble
9	P	D	-0.4241	Soluble
11	G	D	-0.3487	Soluble
12	L	D	-0.0044	Soluble
13	V	D	0.0000	Buried
14	Q	D	-1.4365	Soluble
15	P	D	-1.4920	Soluble
16	S	D	-1.6353	Soluble
17	Q	D	-2.0280	Soluble
18	S	D	-1.6207	Soluble
19	L	D	0.0000	Buried
20	S	D	-0.6116	Soluble
21	I	D	0.0000	Buried
22	T	D	-0.3825	Soluble
23	C	D	0.0000	Buried
24	T	D	-0.9468	Soluble
25	V	D	0.0000	Buried
26	S	D	-0.9935	Soluble
27	G	D	-0.8721	Soluble
28	F	D	-0.4910	Soluble
29	S	D	-0.8847	Soluble
30	L	D	0.0000	Buried
35	T	D	-0.9373	Soluble
36	N	D	-0.8374	Soluble
37	Y	D	0.4712	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	-0.4679	Soluble
45	S	D	-0.9901	Soluble
46	P	D	-1.1722	Soluble
47	G	D	-1.7502	Soluble
48	K	D	-2.2331	Soluble
49	G	D	-1.1236	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	-0.4769	Soluble
58	S	D	-0.6051	Soluble
59	G	D	-1.2235	Soluble
63	G	D	-1.5450	Soluble
64	N	D	-1.8271	Soluble
65	T	D	-1.2699	Soluble
66	D	D	-0.9389	Soluble
67	Y	D	-0.3344	Soluble
68	N	D	0.0000	Buried
69	T	D	-0.2045	Soluble
70	P	D	-0.3595	Soluble
71	F	D	0.0000	Buried
72	T	D	-0.4397	Soluble
74	S	D	-0.5752	Soluble
75	R	D	-0.9414	Soluble
76	L	D	0.0000	Buried
77	S	D	-0.9972	Soluble
78	I	D	0.0000	Buried
79	N	D	-1.7581	Soluble
80	K	D	-1.5480	Soluble
81	D	D	-2.0800	Soluble
82	N	D	-2.3817	Soluble
83	S	D	-1.7909	Soluble
84	K	D	-2.4706	Soluble
85	S	D	-1.7008	Soluble
86	Q	D	-1.5735	Soluble
87	V	D	0.0000	Buried
88	F	D	-0.2328	Soluble
89	F	D	0.0000	Buried
90	K	D	-1.3728	Soluble
91	M	D	0.0000	Buried
92	N	D	-1.6830	Soluble
93	S	D	-1.5459	Soluble
94	L	D	0.0000	Buried
95	Q	D	-2.2239	Soluble
96	S	D	-1.5726	Soluble
97	N	D	-2.0985	Soluble
98	D	D	0.0000	Buried
99	T	D	-0.6541	Soluble
100	A	D	0.0000	Buried
101	I	D	0.4531	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	1.0584	Aggregation-prone
109	T	D	1.1332	Aggregation-prone
110	Y	D	1.8206	Aggregation-prone
111	Y	D	1.8941	Aggregation-prone
112	D	D	1.0052	Aggregation-prone
113	Y	D	0.5330	Aggregation-prone
114	E	D	0.0000	Buried
115	F	D	0.0000	Buried
116	A	D	0.2804	Aggregation-prone
117	Y	D	0.2481	Aggregation-prone
118	W	D	0.0000	Buried
119	G	D	0.0000	Buried
120	Q	D	-1.6428	Soluble
121	G	D	-0.7990	Soluble
122	T	D	0.0000	Buried
123	L	D	0.3384	Aggregation-prone
124	V	D	0.0000	Buried
125	T	D	-0.3024	Soluble
126	V	D	0.0000	Buried
127	S	D	-0.5158	Soluble
128	A	D	-0.2868	Soluble
129	A	D	-0.2742	Soluble
130	S	D	-0.5061	Soluble
131	T	D	-0.7635	Soluble
132	K	D	-1.2930	Soluble
133	G	D	-1.4812	Soluble
134	P	D	-0.6344	Soluble
135	S	D	-0.3804	Soluble
136	V	D	-0.4074	Soluble
137	F	D	0.0000	Buried
138	P	D	-1.3581	Soluble
139	L	D	0.0000	Buried
140	A	D	-1.0208	Soluble
141	P	D	-0.7605	Soluble
142	S	D	-0.8042	Soluble
143	G	D	-0.7874	Soluble
144	G	D	-0.8628	Soluble
145	T	D	-0.6443	Soluble
146	A	D	0.0000	Buried
147	A	D	0.0000	Buried
148	L	D	0.0000	Buried
149	G	D	0.0000	Buried
150	C	D	0.0000	Buried
151	L	D	0.0000	Buried
152	V	D	0.0000	Buried
153	K	D	0.0000	Buried
154	D	D	-0.3782	Soluble
155	Y	D	0.0000	Buried
156	F	D	0.0000	Buried
157	P	D	0.0000	Buried
158	E	D	-0.2331	Soluble
159	P	D	-0.5441	Soluble
160	V	D	-0.7581	Soluble
161	T	D	-0.7264	Soluble
162	V	D	-0.4520	Soluble
163	S	D	-0.4846	Soluble
164	W	D	0.0000	Buried
165	N	D	-0.9388	Soluble
166	S	D	-0.7292	Soluble
167	G	D	-0.5532	Soluble
168	A	D	-0.2759	Soluble
169	L	D	-0.0605	Soluble
170	T	D	-0.1972	Soluble
171	S	D	-0.1964	Soluble
172	G	D	-0.2341	Soluble
173	V	D	0.1405	Aggregation-prone
174	H	D	-0.3323	Soluble
175	T	D	0.0032	Aggregation-prone
176	F	D	0.0000	Buried
177	P	D	-0.2620	Soluble
178	A	D	0.2940	Aggregation-prone
179	V	D	0.5226	Aggregation-prone
180	L	D	1.1966	Aggregation-prone
181	Q	D	0.3078	Aggregation-prone
182	S	D	-0.0460	Soluble
183	S	D	-0.1919	Soluble
184	G	D	0.0748	Aggregation-prone
185	L	D	0.1779	Aggregation-prone
186	Y	D	0.5033	Aggregation-prone
187	S	D	0.0000	Buried
188	L	D	0.0000	Buried
189	S	D	0.0000	Buried
190	S	D	0.0000	Buried
191	V	D	0.0000	Buried
192	V	D	0.0000	Buried
193	T	D	-0.1391	Soluble
194	V	D	0.0000	Buried
195	P	D	-0.6820	Soluble
196	S	D	-0.6003	Soluble
197	S	D	-0.6535	Soluble
198	S	D	-0.6987	Soluble
199	L	D	-0.9572	Soluble
200	G	D	-1.0656	Soluble
201	T	D	-0.8697	Soluble
202	Q	D	-1.5335	Soluble
203	T	D	-1.3321	Soluble
204	Y	D	0.0000	Buried
205	I	D	-1.6218	Soluble
206	C	D	0.0000	Buried
207	N	D	-1.6612	Soluble
208	V	D	0.0000	Buried
209	N	D	-2.4421	Soluble
210	H	D	0.0000	Buried
211	K	D	-2.9195	Soluble
212	P	D	-1.6678	Soluble
213	S	D	-1.9397	Soluble
214	N	D	-2.7060	Soluble
215	T	D	-2.2158	Soluble
216	K	D	-2.8642	Soluble
217	V	D	-1.6372	Soluble
218	D	D	-2.6849	Soluble
219	K	D	-2.4300	Soluble
220	R	D	-2.8011	Soluble
221	V	D	0.0000	Buried
222	E	D	-2.9275	Soluble
223	P	D	-1.8775	Soluble
224	K	D	-2.4399	Soluble
1	D	C	-1.4540	Soluble
2	I	C	0.0000	Buried
3	L	C	0.6215	Aggregation-prone
4	L	C	0.0000	Buried
5	T	C	-0.3553	Soluble
6	Q	C	-0.0113	Soluble
7	S	C	0.0904	Aggregation-prone
8	P	C	0.7525	Aggregation-prone
9	V	C	1.7840	Aggregation-prone
10	I	C	1.2093	Aggregation-prone
11	L	C	0.4301	Aggregation-prone
12	S	C	-0.4624	Soluble
13	V	C	0.0000	Buried
14	S	C	-1.7369	Soluble
15	P	C	-1.9567	Soluble
16	G	C	-2.0416	Soluble
17	E	C	-2.8189	Soluble
18	R	C	-3.1008	Soluble
19	V	C	0.0000	Buried
20	S	C	-0.8853	Soluble
21	F	C	0.0000	Buried
22	S	C	-0.7843	Soluble
23	C	C	0.0000	Buried
24	R	C	-2.3758	Soluble
25	A	C	0.0000	Buried
26	S	C	-0.9408	Soluble
27	Q	C	-1.5419	Soluble
28	S	C	-1.4223	Soluble
29	I	C	0.0000	Buried
36	G	C	-1.0143	Soluble
37	T	C	-0.7709	Soluble
38	N	C	-0.8339	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	-1.2703	Soluble
45	R	C	-2.0914	Soluble
46	T	C	-1.7141	Soluble
47	N	C	-2.0096	Soluble
48	G	C	-1.5440	Soluble
49	S	C	-1.0172	Soluble
50	P	C	0.0000	Buried
51	R	C	-0.7174	Soluble
52	L	C	0.0000	Buried
53	L	C	0.0000	Buried
54	I	C	0.0000	Buried
55	K	C	-0.7967	Soluble
56	Y	C	-0.6254	Soluble
57	A	C	0.0000	Buried
65	S	C	-1.2431	Soluble
66	E	C	-1.9753	Soluble
67	S	C	-1.1802	Soluble
68	I	C	-0.5193	Soluble
69	S	C	-0.3422	Soluble
70	G	C	-0.4748	Soluble
71	I	C	-0.2619	Soluble
72	P	C	-0.3522	Soluble
74	S	C	-0.5641	Soluble
75	R	C	-1.0222	Soluble
76	F	C	0.0000	Buried
77	S	C	-0.8480	Soluble
78	G	C	0.0000	Buried
79	S	C	-0.8201	Soluble
80	G	C	-1.0400	Soluble
83	S	C	-0.8937	Soluble
84	G	C	-1.2535	Soluble
85	T	C	-1.7718	Soluble
86	D	C	-2.2669	Soluble
87	F	C	0.0000	Buried
88	T	C	-0.8232	Soluble
89	L	C	0.0000	Buried
90	S	C	-0.8429	Soluble
91	I	C	0.0000	Buried
92	N	C	-2.1053	Soluble
93	S	C	-2.1019	Soluble
94	V	C	0.0000	Buried
95	E	C	-2.3838	Soluble
96	S	C	-2.1693	Soluble
97	E	C	-2.2005	Soluble
98	D	C	0.0000	Buried
99	I	C	-1.5523	Soluble
100	A	C	-1.4907	Soluble
101	D	C	-0.7930	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	-0.6775	Soluble
108	N	C	-1.3218	Soluble
109	N	C	-1.1426	Soluble
114	W	C	-0.0436	Soluble
115	P	C	-0.2901	Soluble
116	T	C	0.0000	Buried
117	T	C	-0.0410	Soluble
118	F	C	0.2107	Aggregation-prone
119	G	C	0.0000	Buried
120	A	C	-0.0095	Soluble
121	G	C	0.0000	Buried
122	T	C	0.0000	Buried
123	K	C	-0.9471	Soluble
124	L	C	0.0000	Buried
125	E	C	-1.0371	Soluble
126	L	C	0.0000	Buried
127	K	C	-1.4706	Soluble
128	R	C	-1.0806	Soluble
129	T	C	0.0470	Aggregation-prone
130	V	C	0.7741	Aggregation-prone
131	A	C	0.2311	Aggregation-prone
132	A	C	0.0466	Aggregation-prone
133	P	C	0.0000	Buried
134	S	C	-0.2421	Soluble
135	V	C	0.0000	Buried
136	F	C	0.0434	Aggregation-prone
137	I	C	0.0384	Aggregation-prone
138	F	C	0.0000	Buried
139	P	C	-0.4626	Soluble
140	P	C	-0.8491	Soluble
141	S	C	-1.9611	Soluble
142	D	C	-3.2343	Soluble
143	E	C	-3.2166	Soluble
144	Q	C	0.0000	Buried
145	L	C	-2.3684	Soluble
146	K	C	-2.8412	Soluble
147	S	C	-1.7392	Soluble
148	G	C	-1.2083	Soluble
149	T	C	-1.0105	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	-0.8058	Soluble
159	F	C	0.0000	Buried
160	Y	C	-0.7232	Soluble
161	P	C	-1.2489	Soluble
162	R	C	-2.1798	Soluble
163	E	C	-2.8786	Soluble
164	A	C	-2.1900	Soluble
165	K	C	-2.3467	Soluble
166	V	C	-1.2224	Soluble
167	Q	C	-0.8827	Soluble
168	W	C	0.0000	Buried
169	K	C	-0.5841	Soluble
170	V	C	0.0000	Buried
171	D	C	-1.7781	Soluble
172	N	C	-1.4953	Soluble
173	A	C	-0.2625	Soluble
174	L	C	0.5888	Aggregation-prone
175	Q	C	-0.4298	Soluble
176	S	C	-0.7172	Soluble
177	G	C	-1.3398	Soluble
178	N	C	-1.7081	Soluble
179	S	C	-1.5154	Soluble
180	Q	C	-1.4038	Soluble
181	E	C	-1.4215	Soluble
182	S	C	-0.5261	Soluble
183	V	C	-0.6507	Soluble
184	T	C	-1.0277	Soluble
185	E	C	-2.3203	Soluble
186	Q	C	0.0000	Buried
187	D	C	-2.0605	Soluble
188	S	C	-2.3024	Soluble
189	K	C	-2.5992	Soluble
190	D	C	-1.8131	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	-0.6717	Soluble
199	L	C	0.0000	Buried
200	T	C	-0.7045	Soluble
201	L	C	-0.8769	Soluble
202	S	C	-1.0543	Soluble
203	K	C	-2.0414	Soluble
204	A	C	-1.9556	Soluble
205	D	C	-2.6352	Soluble
206	Y	C	0.0000	Buried
207	E	C	-3.6936	Soluble
208	K	C	-3.7129	Soluble
209	H	C	-3.0686	Soluble
210	K	C	-2.9722	Soluble
211	V	C	-1.0491	Soluble
212	Y	C	0.0000	Buried
213	A	C	-0.7437	Soluble
214	C	C	0.0000	Buried
215	E	C	-1.0128	Soluble
216	V	C	0.0000	Buried
217	T	C	-1.2380	Soluble
218	H	C	0.0000	Buried
219	Q	C	-1.6170	Soluble
220	G	C	-0.2799	Soluble
221	L	C	-0.1542	Soluble
222	S	C	-0.4337	Soluble
223	S	C	-0.3998	Soluble
224	P	C	-0.5111	Soluble
225	V	C	-0.0660	Soluble
226	T	C	-0.5809	Soluble
227	K	C	-0.8173	Soluble
228	S	C	-0.4684	Soluble
229	F	C	-0.7704	Soluble
230	N	C	-1.6354	Soluble
231	R	C	-2.4579	Soluble
232	G	C	-2.1190	Soluble
233	E	C	-2.4615	Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer | colored by A4D score

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Downloads

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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

Threshold: 0.0

CDR Regions

Outline CDR regions in sequence panel

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	-0.7039	2.3369	CSV PDB
4.5	-0.7429	2.2825	CSV PDB
5.0	-0.7895	2.21	CSV PDB
5.5	-0.8346	2.1328	CSV PDB
6.0	-0.8671	2.1184	CSV PDB
6.5	-0.8783	2.1066	CSV PDB
7.0	-0.8674	2.0949	CSV PDB
7.5	-0.8412	2.0833	CSV PDB
8.0	-0.8067	2.132	CSV PDB
8.5	-0.7665	2.246	CSV PDB
9.0	-0.7211	2.3617	CSV PDB