Amatuximab / 4f33

Calculation Parameters

Chain Sequence(s)	`VQLQQSGPELEKPGASVKISCKASGYSFTGYTMNWVKQSHGKSLEWIGLITPYNGASSYNQKFRGKATLTVDKSSSTAYMDLLSLTSEDSAVYFCARGGYDGRGFDYWGSGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIELTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDTSKLASGVPGRFSGSGSGNSYSLTISSVEAEDDATYYCQQWSKHPLTFGSGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG` 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 -3.873

Maximum Score 1.4684

Average Score -0.707

Total Score -303.3113

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

Classification:

Index	Residue	Chain	A4D Score	Classification
2	V	D	0.6310	Aggregation-prone
3	Q	D	-0.9119	Soluble
4	L	D	0.0000	Buried
5	Q	D	-1.9078	Soluble
6	Q	D	-1.2581	Soluble
7	S	D	-0.9976	Soluble
8	G	D	-1.0044	Soluble
9	P	D	-0.8318	Soluble
11	E	D	-1.0447	Soluble
12	L	D	-0.7215	Soluble
13	E	D	-1.4820	Soluble
14	K	D	-2.2353	Soluble
15	P	D	-1.5748	Soluble
16	G	D	-1.0999	Soluble
17	A	D	-0.8726	Soluble
18	S	D	-0.8624	Soluble
19	V	D	0.0000	Buried
20	K	D	-1.7792	Soluble
21	I	D	0.0000	Buried
22	S	D	-0.9012	Soluble
23	C	D	0.0000	Buried
24	K	D	-1.8455	Soluble
25	A	D	0.0000	Buried
26	S	D	-0.7120	Soluble
27	G	D	-0.1751	Soluble
28	Y	D	0.0308	Aggregation-prone
29	S	D	-0.1341	Soluble
30	F	D	0.0000	Buried
35	T	D	-0.0955	Soluble
36	G	D	0.2044	Aggregation-prone
37	Y	D	0.3433	Aggregation-prone
38	T	D	0.0000	Buried
39	M	D	0.0000	Buried
40	N	D	0.0000	Buried
41	W	D	0.0000	Buried
42	V	D	0.0000	Buried
43	K	D	0.0000	Buried
44	Q	D	0.0000	Buried
45	S	D	-1.4675	Soluble
46	H	D	-1.7699	Soluble
47	G	D	-1.8491	Soluble
48	K	D	-2.4359	Soluble
49	S	D	-1.4712	Soluble
50	L	D	0.0000	Buried
51	E	D	-0.9386	Soluble
52	W	D	0.0000	Buried
53	I	D	0.0000	Buried
54	G	D	0.0000	Buried
55	L	D	0.2067	Aggregation-prone
56	I	D	0.0000	Buried
57	T	D	0.2037	Aggregation-prone
58	P	D	0.0000	Buried
59	Y	D	0.4093	Aggregation-prone
62	N	D	-0.8696	Soluble
63	G	D	-0.6774	Soluble
64	A	D	-0.2484	Soluble
65	S	D	-0.2327	Soluble
66	S	D	-0.5483	Soluble
67	Y	D	-1.2664	Soluble
68	N	D	-2.0606	Soluble
69	Q	D	-2.9352	Soluble
70	K	D	-2.9986	Soluble
71	F	D	0.0000	Buried
72	R	D	-3.0855	Soluble
74	G	D	-1.8248	Soluble
75	K	D	-1.4102	Soluble
76	A	D	0.0000	Buried
77	T	D	-0.7018	Soluble
78	L	D	0.0000	Buried
79	T	D	-0.2349	Soluble
80	V	D	-0.7126	Soluble
81	D	D	-1.6672	Soluble
82	K	D	-1.8989	Soluble
83	S	D	-1.2218	Soluble
84	S	D	-1.1539	Soluble
85	S	D	-1.2586	Soluble
86	T	D	0.0000	Buried
87	A	D	0.0000	Buried
88	Y	D	-0.4884	Soluble
89	M	D	0.0000	Buried
90	D	D	-0.9555	Soluble
91	L	D	0.0000	Buried
92	L	D	-0.1248	Soluble
93	S	D	-0.4942	Soluble
94	L	D	0.0000	Buried
95	T	D	-1.2433	Soluble
96	S	D	-1.5112	Soluble
97	E	D	-1.9776	Soluble
98	D	D	0.0000	Buried
99	S	D	-0.8434	Soluble
100	A	D	-0.6397	Soluble
101	V	D	0.1143	Aggregation-prone
102	Y	D	0.0000	Buried
103	F	D	0.0000	Buried
104	C	D	0.0000	Buried
105	A	D	0.0000	Buried
106	R	D	0.0000	Buried
107	G	D	0.0000	Buried
108	G	D	-0.1797	Soluble
109	Y	D	0.3083	Aggregation-prone
110	D	D	-1.3225	Soluble
112	G	D	-0.6462	Soluble
113	R	D	-0.9756	Soluble
114	G	D	-0.2214	Soluble
115	F	D	0.0000	Buried
116	D	D	-0.1711	Soluble
117	Y	D	0.3375	Aggregation-prone
118	W	D	-0.2097	Soluble
119	G	D	0.0000	Buried
120	S	D	-0.6124	Soluble
121	G	D	-0.2918	Soluble
122	T	D	0.0000	Buried
123	P	D	-0.1453	Soluble
124	V	D	0.0000	Buried
125	T	D	-0.7826	Soluble
126	V	D	0.0000	Buried
127	S	D	-0.9833	Soluble
128	S	D	-1.0477	Soluble
129	A	D	-0.6430	Soluble
130	S	D	-0.7358	Soluble
131	T	D	-0.8783	Soluble
132	K	D	-1.2549	Soluble
133	G	D	-1.4516	Soluble
134	P	D	-0.6612	Soluble
135	S	D	-0.2712	Soluble
136	V	D	0.0000	Buried
137	F	D	0.0000	Buried
138	P	D	-1.0432	Soluble
139	L	D	0.0000	Buried
140	A	D	-1.2764	Soluble
141	P	D	0.0000	Buried
142	S	D	-1.1882	Soluble
143	S	D	-0.9588	Soluble
144	K	D	-1.2049	Soluble
145	S	D	0.0000	Buried
146	T	D	-0.7775	Soluble
147	S	D	-0.8296	Soluble
148	G	D	-0.8468	Soluble
149	G	D	-0.9156	Soluble
150	T	D	-0.6348	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
156	L	D	0.0000	Buried
157	V	D	0.0000	Buried
158	K	D	0.0000	Buried
159	D	D	-0.3653	Soluble
160	Y	D	0.0000	Buried
161	F	D	0.0000	Buried
162	P	D	0.0000	Buried
163	E	D	-0.6200	Soluble
164	P	D	-0.8267	Soluble
165	V	D	-0.7814	Soluble
166	T	D	-0.6869	Soluble
167	V	D	-0.4599	Soluble
168	S	D	-0.4385	Soluble
169	W	D	0.0000	Buried
170	N	D	-0.6953	Soluble
171	S	D	-0.6357	Soluble
172	G	D	-0.5775	Soluble
173	A	D	-0.2431	Soluble
174	L	D	0.0138	Aggregation-prone
175	T	D	-0.1770	Soluble
176	S	D	-0.1820	Soluble
177	G	D	-0.2171	Soluble
178	V	D	0.1493	Aggregation-prone
179	H	D	-0.3483	Soluble
180	T	D	-0.1767	Soluble
181	F	D	0.0000	Buried
182	P	D	-0.3290	Soluble
183	A	D	0.3073	Aggregation-prone
184	V	D	0.6414	Aggregation-prone
185	L	D	1.3369	Aggregation-prone
186	Q	D	0.3552	Aggregation-prone
187	S	D	-0.0435	Soluble
188	S	D	-0.2037	Soluble
189	G	D	0.0496	Aggregation-prone
190	L	D	0.2134	Aggregation-prone
191	Y	D	0.5319	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	-0.1242	Soluble
199	V	D	0.0000	Buried
200	P	D	-0.6276	Soluble
201	S	D	-0.6061	Soluble
202	S	D	-0.5827	Soluble
203	S	D	-0.6054	Soluble
204	L	D	-0.7468	Soluble
205	G	D	-0.9248	Soluble
206	T	D	-0.6851	Soluble
207	Q	D	-1.1458	Soluble
208	T	D	-1.0248	Soluble
209	Y	D	0.0000	Buried
210	I	D	-1.0618	Soluble
211	C	D	0.0000	Buried
212	N	D	-1.4882	Soluble
213	V	D	0.0000	Buried
214	N	D	-2.2487	Soluble
215	H	D	0.0000	Buried
216	K	D	-2.9614	Soluble
217	P	D	-1.7720	Soluble
218	S	D	-1.9255	Soluble
219	N	D	-2.5913	Soluble
220	T	D	-2.2057	Soluble
221	K	D	-2.8059	Soluble
222	V	D	-1.4919	Soluble
223	D	D	-2.3717	Soluble
224	K	D	-1.8169	Soluble
225	K	D	-2.3246	Soluble
226	V	D	0.0000	Buried
227	E	D	-2.7199	Soluble
228	P	D	-1.8345	Soluble
229	K	D	-2.2086	Soluble
1	D	C	-2.8358	Soluble
2	I	C	0.0000	Buried
3	E	C	-2.4364	Soluble
4	L	C	0.0000	Buried
5	T	C	-0.6699	Soluble
6	Q	C	0.0000	Buried
7	S	C	-0.0395	Soluble
8	P	C	0.2716	Aggregation-prone
9	A	C	0.5767	Aggregation-prone
10	I	C	1.4684	Aggregation-prone
11	M	C	0.5502	Aggregation-prone
12	S	C	-0.2006	Soluble
13	A	C	0.0000	Buried
14	S	C	-1.6492	Soluble
15	P	C	-1.9566	Soluble
16	G	C	-1.8676	Soluble
17	E	C	-2.5221	Soluble
18	K	C	-2.4711	Soluble
19	V	C	-1.0781	Soluble
20	T	C	-0.3963	Soluble
21	M	C	0.0000	Buried
22	T	C	-0.2400	Soluble
23	C	C	0.0000	Buried
24	S	C	-0.8294	Soluble
25	A	C	0.0000	Buried
26	S	C	-1.3998	Soluble
27	S	C	-1.3816	Soluble
28	S	C	-1.0295	Soluble
29	V	C	0.0000	Buried
37	S	C	0.0521	Aggregation-prone
38	Y	C	0.5558	Aggregation-prone
39	M	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	-1.2724	Soluble
45	K	C	-1.4947	Soluble
46	S	C	-1.2022	Soluble
47	G	C	-1.0362	Soluble
48	T	C	-0.8587	Soluble
49	S	C	-0.6688	Soluble
50	P	C	0.0000	Buried
51	K	C	-1.7449	Soluble
52	R	C	-0.9232	Soluble
53	W	C	0.0000	Buried
54	I	C	0.0000	Buried
55	Y	C	-0.5436	Soluble
56	D	C	-0.4337	Soluble
57	T	C	-0.4191	Soluble
65	S	C	-1.0174	Soluble
66	K	C	-1.6852	Soluble
67	L	C	-0.8007	Soluble
68	A	C	0.0000	Buried
69	S	C	-0.5918	Soluble
70	G	C	-0.5844	Soluble
71	V	C	0.0000	Buried
72	P	C	-0.5062	Soluble
74	G	C	-0.7141	Soluble
75	R	C	-1.0301	Soluble
76	F	C	0.0000	Buried
77	S	C	-0.7422	Soluble
78	G	C	-0.5976	Soluble
79	S	C	-0.6443	Soluble
80	G	C	-0.5875	Soluble
83	S	C	-0.6484	Soluble
84	G	C	-0.9587	Soluble
85	N	C	-1.1871	Soluble
86	S	C	-0.8413	Soluble
87	Y	C	0.0000	Buried
88	S	C	-0.3538	Soluble
89	L	C	0.0000	Buried
90	T	C	-0.5241	Soluble
91	I	C	0.0000	Buried
92	S	C	-1.4548	Soluble
93	S	C	-1.8525	Soluble
94	V	C	0.0000	Buried
95	E	C	-2.3428	Soluble
96	A	C	-2.2708	Soluble
97	E	C	-2.4718	Soluble
98	D	C	0.0000	Buried
99	D	C	0.0000	Buried
100	A	C	0.0000	Buried
101	T	C	-0.7290	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	W	C	-0.0810	Soluble
108	S	C	-0.7372	Soluble
109	K	C	-2.3911	Soluble
114	H	C	-2.2087	Soluble
115	P	C	-1.9015	Soluble
116	L	C	-0.9741	Soluble
117	T	C	-1.1076	Soluble
118	F	C	0.0000	Buried
119	G	C	0.0000	Buried
120	S	C	-0.8625	Soluble
121	G	C	0.0000	Buried
122	T	C	0.0000	Buried
123	K	C	-0.6212	Soluble
124	V	C	0.0000	Buried
125	E	C	-0.8742	Soluble
126	I	C	0.0000	Buried
127	K	C	-1.3642	Soluble
128	R	C	-1.0289	Soluble
129	T	C	-0.0216	Soluble
130	V	C	0.6063	Aggregation-prone
131	A	C	0.0913	Aggregation-prone
132	A	C	-0.0459	Soluble
133	P	C	0.0000	Buried
134	S	C	-0.2293	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	-0.7997	Soluble
140	P	C	-0.8669	Soluble
141	S	C	-1.8145	Soluble
142	D	C	-3.0148	Soluble
143	E	C	-2.9162	Soluble
144	Q	C	0.0000	Buried
145	L	C	-2.3093	Soluble
146	K	C	-2.8770	Soluble
147	S	C	-1.7712	Soluble
148	G	C	-1.4471	Soluble
149	T	C	-1.1119	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	-0.9045	Soluble
159	F	C	0.0000	Buried
160	Y	C	0.0000	Buried
161	P	C	-1.3062	Soluble
162	R	C	-2.0839	Soluble
163	E	C	-2.8137	Soluble
164	A	C	-2.1655	Soluble
165	K	C	-2.3180	Soluble
166	V	C	-1.2472	Soluble
167	Q	C	-0.9297	Soluble
168	W	C	0.0000	Buried
169	K	C	-0.8785	Soluble
170	V	C	0.0000	Buried
171	D	C	-1.8411	Soluble
172	N	C	-1.6017	Soluble
173	A	C	-0.4612	Soluble
174	L	C	0.2003	Aggregation-prone
175	Q	C	-0.3909	Soluble
176	S	C	-0.5489	Soluble
177	G	C	-0.8905	Soluble
178	N	C	-0.7889	Soluble
179	S	C	-1.2021	Soluble
180	Q	C	-1.5646	Soluble
181	E	C	-1.9955	Soluble
182	S	C	-0.9539	Soluble
183	V	C	-0.7127	Soluble
184	T	C	-1.0348	Soluble
185	E	C	-2.2292	Soluble
186	Q	C	0.0000	Buried
187	D	C	-2.2068	Soluble
188	S	C	-2.3710	Soluble
189	K	C	-2.6778	Soluble
190	D	C	-1.8955	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	-0.7555	Soluble
199	L	C	0.0000	Buried
200	T	C	-0.4955	Soluble
201	L	C	-0.7781	Soluble
202	S	C	-1.4634	Soluble
203	K	C	-2.4871	Soluble
204	A	C	-2.2136	Soluble
205	D	C	-3.1875	Soluble
206	Y	C	0.0000	Buried
207	E	C	-3.6905	Soluble
208	K	C	-3.8730	Soluble
209	H	C	-3.4925	Soluble
210	K	C	-3.4909	Soluble
211	V	C	-1.9041	Soluble
212	Y	C	0.0000	Buried
213	A	C	0.0000	Buried
214	C	C	0.0000	Buried
215	E	C	-0.8853	Soluble
216	V	C	0.0000	Buried
217	T	C	-1.1900	Soluble
218	H	C	0.0000	Buried
219	Q	C	-1.6956	Soluble
220	G	C	-0.4668	Soluble
221	L	C	-0.2313	Soluble
222	S	C	-0.4672	Soluble
223	S	C	-0.4251	Soluble
224	P	C	-0.4504	Soluble
225	V	C	0.0296	Aggregation-prone
226	T	C	-0.4273	Soluble
227	K	C	-0.7740	Soluble
228	S	C	-0.8862	Soluble
229	F	C	0.0000	Buried
230	N	C	-2.3386	Soluble
231	R	C	-2.6053	Soluble
232	G	C	-1.5617	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	-0.8849	2.2703	CSV PDB
4.5	-0.9264	2.2643	CSV PDB
5.0	-0.9737	2.2587	CSV PDB
5.5	-1.0151	2.2592	CSV PDB
6.0	-1.0367	2.2776	CSV PDB
6.5	-1.0282	2.3307	CSV PDB
7.0	-0.9917	2.4251	CSV PDB
7.5	-0.9378	2.5479	CSV PDB
8.0	-0.875	2.6835	CSV PDB
8.5	-0.8064	2.8236	CSV PDB
9.0	-0.7326	2.9647	CSV PDB