Cetuximab / 5ivz

Calculation Parameters

Chain Sequence(s)	`QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEHKVYACEVTHQGLSSPVTKSFNRGA` 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 -3.2312

Maximum Score 1.9257

Average Score -0.6465

Total Score -273.467

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	D	-1.3447	Soluble
2	V	D	-0.6344	Soluble
3	Q	D	-1.1694	Soluble
4	L	D	0.0000	Buried
5	K	D	-1.7891	Soluble
6	Q	D	0.0000	Buried
7	S	D	-0.8117	Soluble
8	G	D	-1.0736	Soluble
9	P	D	-0.4434	Soluble
11	G	D	-0.3862	Soluble
12	L	D	-0.0621	Soluble
13	V	D	0.0000	Buried
14	Q	D	-1.6453	Soluble
15	P	D	-1.6204	Soluble
16	S	D	-1.6792	Soluble
17	Q	D	-2.1314	Soluble
18	S	D	-1.9903	Soluble
19	L	D	0.0000	Buried
20	S	D	-0.8845	Soluble
21	I	D	0.0000	Buried
22	T	D	-0.4972	Soluble
23	C	D	0.0000	Buried
24	T	D	-0.9391	Soluble
25	V	D	0.0000	Buried
26	S	D	-1.0332	Soluble
27	G	D	-0.8597	Soluble
28	F	D	-0.4794	Soluble
29	S	D	-0.8646	Soluble
30	L	D	0.0000	Buried
35	T	D	-0.9116	Soluble
36	N	D	-0.9088	Soluble
37	Y	D	0.3068	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	-0.4623	Soluble
45	S	D	0.0000	Buried
46	P	D	-1.1796	Soluble
47	G	D	-1.7604	Soluble
48	K	D	-2.2377	Soluble
49	G	D	-1.1434	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	-0.5477	Soluble
58	S	D	-0.6449	Soluble
59	G	D	-1.1635	Soluble
63	G	D	-1.5481	Soluble
64	N	D	-1.8205	Soluble
65	T	D	-1.3064	Soluble
66	D	D	-1.0669	Soluble
67	Y	D	-0.3930	Soluble
68	N	D	0.0000	Buried
69	T	D	-0.1861	Soluble
70	P	D	-0.3763	Soluble
71	F	D	0.0000	Buried
72	T	D	-0.4856	Soluble
74	S	D	-0.7198	Soluble
75	R	D	-1.3841	Soluble
76	L	D	0.0000	Buried
77	S	D	-1.2362	Soluble
78	I	D	0.0000	Buried
79	N	D	-1.7664	Soluble
80	K	D	-1.4334	Soluble
81	D	D	-1.7619	Soluble
82	N	D	-2.1670	Soluble
83	S	D	-1.6764	Soluble
84	K	D	-2.3593	Soluble
85	S	D	-1.6043	Soluble
86	Q	D	-1.4686	Soluble
87	V	D	0.0000	Buried
88	F	D	-0.3022	Soluble
89	F	D	0.0000	Buried
90	K	D	-2.0482	Soluble
91	M	D	0.0000	Buried
92	N	D	-2.3923	Soluble
94	L	D	0.0000	Buried
95	Q	D	-2.2842	Soluble
96	S	D	-1.6142	Soluble
97	N	D	-2.1031	Soluble
98	D	D	0.0000	Buried
99	T	D	-0.6681	Soluble
100	A	D	0.0000	Buried
101	I	D	0.5505	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	0.9765	Aggregation-prone
109	T	D	0.9817	Aggregation-prone
110	Y	D	1.5331	Aggregation-prone
111	Y	D	1.7372	Aggregation-prone
112	D	D	0.9220	Aggregation-prone
113	Y	D	0.5141	Aggregation-prone
114	E	D	0.0000	Buried
115	F	D	0.0000	Buried
116	A	D	0.2545	Aggregation-prone
117	Y	D	0.2651	Aggregation-prone
118	W	D	0.0000	Buried
119	G	D	0.0000	Buried
120	Q	D	-1.7212	Soluble
121	G	D	-0.8749	Soluble
122	T	D	0.0000	Buried
123	L	D	0.2156	Aggregation-prone
124	V	D	0.0000	Buried
125	T	D	-0.3610	Soluble
126	V	D	0.0000	Buried
127	S	D	-0.5971	Soluble
128	A	D	-0.3811	Soluble
129	A	D	-0.3116	Soluble
130	S	D	-0.5230	Soluble
131	T	D	-0.6623	Soluble
132	K	D	-1.3425	Soluble
133	G	D	-1.4187	Soluble
134	P	D	-0.6614	Soluble
135	S	D	-0.3683	Soluble
136	V	D	0.0000	Buried
137	F	D	0.0000	Buried
138	P	D	0.0000	Buried
139	L	D	0.0000	Buried
140	A	D	0.0000	Buried
141	P	D	-0.8833	Soluble
142	G	D	-0.6411	Soluble
143	T	D	-0.4826	Soluble
144	A	D	0.0000	Buried
145	A	D	0.0000	Buried
146	L	D	0.0000	Buried
147	G	D	0.0000	Buried
148	C	D	0.0000	Buried
149	L	D	0.0000	Buried
150	V	D	0.0000	Buried
151	K	D	0.0000	Buried
152	D	D	-0.4612	Soluble
153	Y	D	0.0000	Buried
154	F	D	0.0000	Buried
155	P	D	0.0000	Buried
156	E	D	-0.3672	Soluble
157	P	D	-0.5635	Soluble
158	V	D	-0.5414	Soluble
159	T	D	-0.5095	Soluble
160	V	D	-0.1766	Soluble
161	S	D	-0.3709	Soluble
162	W	D	0.0000	Buried
163	N	D	-0.7198	Soluble
164	S	D	-0.6224	Soluble
165	G	D	-0.5569	Soluble
166	A	D	-0.2192	Soluble
167	L	D	0.0245	Aggregation-prone
168	T	D	-0.1620	Soluble
169	S	D	-0.2002	Soluble
170	G	D	-0.2704	Soluble
171	V	D	0.1438	Aggregation-prone
172	H	D	-0.3288	Soluble
173	T	D	0.0006	Aggregation-prone
174	F	D	0.0000	Buried
175	P	D	-0.2830	Soluble
176	A	D	0.2590	Aggregation-prone
177	V	D	0.5986	Aggregation-prone
178	L	D	1.2509	Aggregation-prone
179	Q	D	0.3250	Aggregation-prone
180	S	D	-0.0684	Soluble
181	S	D	-0.1992	Soluble
182	G	D	0.0657	Aggregation-prone
183	L	D	0.0985	Aggregation-prone
184	Y	D	0.4287	Aggregation-prone
185	S	D	0.0000	Buried
186	L	D	0.0000	Buried
187	S	D	0.0000	Buried
188	S	D	0.0000	Buried
189	V	D	0.0000	Buried
190	V	D	0.0000	Buried
191	T	D	-0.1462	Soluble
192	V	D	0.0000	Buried
193	P	D	-0.4863	Soluble
194	S	D	-0.5385	Soluble
195	S	D	-0.6078	Soluble
196	S	D	-0.5982	Soluble
197	L	D	-0.8808	Soluble
198	G	D	-0.9853	Soluble
199	T	D	-0.7262	Soluble
200	Q	D	-1.2123	Soluble
201	T	D	-1.1547	Soluble
202	Y	D	0.0000	Buried
203	I	D	-1.2574	Soluble
204	C	D	0.0000	Buried
205	N	D	-1.4120	Soluble
206	V	D	0.0000	Buried
207	N	D	-1.8705	Soluble
208	H	D	0.0000	Buried
209	K	D	-2.3782	Soluble
210	P	D	-1.4164	Soluble
211	S	D	-1.7236	Soluble
212	N	D	-2.4046	Soluble
213	T	D	-1.9893	Soluble
214	K	D	-2.5974	Soluble
215	V	D	-1.6063	Soluble
216	D	D	-2.2728	Soluble
217	K	D	-2.0933	Soluble
218	R	D	-2.5826	Soluble
219	V	D	0.0000	Buried
220	E	D	-2.8703	Soluble
221	P	D	-1.9088	Soluble
222	K	D	-2.4465	Soluble
1	D	C	-1.4098	Soluble
2	I	C	0.0000	Buried
3	L	C	0.6684	Aggregation-prone
4	L	C	0.0000	Buried
5	T	C	-0.2151	Soluble
6	Q	C	0.0000	Buried
7	S	C	0.2850	Aggregation-prone
8	P	C	0.9222	Aggregation-prone
9	V	C	1.9257	Aggregation-prone
10	I	C	1.5004	Aggregation-prone
11	L	C	0.6445	Aggregation-prone
12	S	C	-0.1439	Soluble
13	V	C	-1.0715	Soluble
14	S	C	-1.7046	Soluble
15	P	C	-1.8341	Soluble
16	G	C	-1.9046	Soluble
17	E	C	-2.6689	Soluble
18	R	C	-3.2312	Soluble
19	V	C	0.0000	Buried
20	S	C	-0.9670	Soluble
21	F	C	0.0000	Buried
22	S	C	-0.7769	Soluble
23	C	C	0.0000	Buried
24	R	C	-2.1896	Soluble
25	A	C	0.0000	Buried
26	S	C	-0.9961	Soluble
27	Q	C	-1.6121	Soluble
28	S	C	-1.4840	Soluble
29	I	C	0.0000	Buried
36	G	C	-0.9487	Soluble
37	T	C	-0.7666	Soluble
38	N	C	-0.7679	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	-1.5475	Soluble
45	R	C	-2.3373	Soluble
46	T	C	-1.8029	Soluble
47	N	C	-1.9176	Soluble
48	G	C	-1.6740	Soluble
49	S	C	-1.0898	Soluble
50	P	C	0.0000	Buried
51	R	C	-0.8391	Soluble
52	L	C	0.0000	Buried
53	L	C	0.0000	Buried
54	I	C	0.0000	Buried
55	K	C	-0.7601	Soluble
56	Y	C	-0.5217	Soluble
57	A	C	0.0000	Buried
65	S	C	-1.0742	Soluble
66	E	C	-1.5768	Soluble
67	S	C	-1.0121	Soluble
68	I	C	-0.4552	Soluble
69	S	C	-0.3256	Soluble
70	G	C	-0.4771	Soluble
71	I	C	-0.2872	Soluble
72	P	C	-0.3537	Soluble
74	S	C	-0.6700	Soluble
75	R	C	-1.3462	Soluble
76	F	C	0.0000	Buried
77	S	C	-0.9863	Soluble
78	G	C	-0.6927	Soluble
79	S	C	-0.8575	Soluble
80	G	C	-1.1577	Soluble
83	S	C	-0.9981	Soluble
84	G	C	-1.3313	Soluble
85	T	C	-1.9265	Soluble
86	D	C	-2.7192	Soluble
87	F	C	0.0000	Buried
88	T	C	-0.9125	Soluble
89	L	C	0.0000	Buried
91	I	C	0.0000	Buried
92	N	C	-2.7454	Soluble
93	S	C	-2.3166	Soluble
94	V	C	0.0000	Buried
95	E	C	-2.3873	Soluble
96	S	C	-2.2028	Soluble
97	E	C	-2.1922	Soluble
98	D	C	0.0000	Buried
99	I	C	-1.5716	Soluble
100	A	C	0.0000	Buried
101	D	C	-1.1488	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	-0.5361	Soluble
108	N	C	-1.0273	Soluble
109	N	C	-0.9473	Soluble
114	W	C	0.2327	Aggregation-prone
115	P	C	0.0000	Buried
116	T	C	0.0000	Buried
117	T	C	0.0169	Aggregation-prone
118	F	C	0.2216	Aggregation-prone
119	G	C	0.0000	Buried
120	A	C	0.0058	Aggregation-prone
121	G	C	0.0431	Aggregation-prone
122	T	C	0.0000	Buried
123	K	C	-0.5373	Soluble
124	L	C	0.0000	Buried
125	E	C	-0.9503	Soluble
126	L	C	0.0000	Buried
127	K	C	-2.0013	Soluble
128	R	C	-1.4406	Soluble
129	T	C	-0.1848	Soluble
130	V	C	0.4762	Aggregation-prone
131	A	C	0.1861	Aggregation-prone
132	A	C	-0.0816	Soluble
133	P	C	0.0000	Buried
134	S	C	-0.1663	Soluble
135	V	C	0.0000	Buried
136	F	C	0.0919	Aggregation-prone
137	I	C	0.0358	Aggregation-prone
138	F	C	0.0000	Buried
139	P	C	-0.4892	Soluble
140	P	C	-0.6500	Soluble
141	S	C	0.0000	Buried
142	D	C	-2.6518	Soluble
143	E	C	-2.0300	Soluble
144	Q	C	0.0000	Buried
145	L	C	-2.0026	Soluble
146	K	C	-2.5036	Soluble
147	S	C	-1.5702	Soluble
148	G	C	-1.1196	Soluble
149	T	C	-0.9460	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	-0.9553	Soluble
159	F	C	0.0000	Buried
160	Y	C	0.0000	Buried
161	P	C	-1.5303	Soluble
162	R	C	-2.4896	Soluble
163	E	C	-2.9308	Soluble
164	A	C	-2.1468	Soluble
165	K	C	-2.4929	Soluble
166	V	C	0.0000	Buried
167	Q	C	-0.9170	Soluble
168	W	C	0.0000	Buried
169	K	C	-0.9029	Soluble
170	V	C	0.0000	Buried
171	D	C	-2.0241	Soluble
172	N	C	-1.7758	Soluble
173	A	C	-0.5158	Soluble
174	L	C	0.2056	Aggregation-prone
175	Q	C	-0.3697	Soluble
176	S	C	-0.5164	Soluble
177	G	C	-0.8919	Soluble
178	N	C	-0.8305	Soluble
179	S	C	-1.0989	Soluble
180	Q	C	-1.2358	Soluble
181	E	C	-1.7168	Soluble
182	S	C	-0.6402	Soluble
183	V	C	-0.8012	Soluble
184	T	C	0.0000	Buried
185	E	C	-2.0875	Soluble
186	Q	C	0.0000	Buried
187	D	C	-1.9420	Soluble
188	S	C	-2.3130	Soluble
189	K	C	-2.6496	Soluble
190	D	C	-2.0153	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	-0.5774	Soluble
199	L	C	0.0000	Buried
200	T	C	-0.3128	Soluble
201	L	C	-0.8242	Soluble
202	S	C	-1.2602	Soluble
203	K	C	-1.9960	Soluble
204	A	C	-1.8611	Soluble
205	D	C	-2.7071	Soluble
206	Y	C	0.0000	Buried
207	E	C	-3.2231	Soluble
209	H	C	-3.0358	Soluble
210	K	C	-3.0000	Soluble
211	V	C	-1.5701	Soluble
212	Y	C	0.0000	Buried
213	A	C	0.0000	Buried
214	C	C	0.0000	Buried
215	E	C	-1.0194	Soluble
216	V	C	0.0000	Buried
217	T	C	-1.2315	Soluble
218	H	C	0.0000	Buried
219	Q	C	-1.6798	Soluble
220	G	C	-0.3810	Soluble
221	L	C	-0.2374	Soluble
222	S	C	-0.4777	Soluble
223	S	C	-0.4377	Soluble
224	P	C	-0.5595	Soluble
225	V	C	-0.0819	Soluble
226	T	C	-0.5632	Soluble
227	K	C	-0.7318	Soluble
228	S	C	-0.5636	Soluble
229	F	C	-0.5843	Soluble
230	N	C	-1.4887	Soluble
231	R	C	-1.9827	Soluble
232	G	C	-1.3073	Soluble
233	A	C	-0.6644	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

Load structure at specific pH condition

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	-0.6258	2.8514	CSV PDB
4.5	-0.66	2.7762	CSV PDB
5.0	-0.701	2.6924	CSV PDB
5.5	-0.7407	2.6055	CSV PDB
6.0	-0.7693	2.5175	CSV PDB
6.5	-0.7789	2.4294	CSV PDB
7.0	-0.7695	2.3417	CSV PDB
7.5	-0.7475	2.2555	CSV PDB
8.0	-0.719	2.2405	CSV PDB
8.5	-0.6857	2.3072	CSV PDB
9.0	-0.6476	2.3751	CSV PDB