Tomuzotuximab / 6aru

Calculation Parameters

Chain Sequence(s)	`QVQLKQSGPGLVQPSQSLSITCTVSGFDLTDYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYADESIDGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFN` input.pdb
Selected Chain(s)	C (Heavy), B (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 -3.7375

Maximum Score 1.7935

Average Score -0.7008

Total Score -295.7493

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	C	-1.6706	Soluble
2	V	C	0.0000	Buried
3	Q	C	-2.1191	Soluble
4	L	C	0.0000	Buried
5	K	C	-2.4050	Soluble
6	Q	C	0.0000	Buried
7	S	C	-0.9416	Soluble
8	G	C	-0.5337	Soluble
9	P	C	-0.3356	Soluble
11	G	C	-0.2791	Soluble
12	L	C	-0.0572	Soluble
13	V	C	0.0000	Buried
14	Q	C	-1.3422	Soluble
15	P	C	-1.4429	Soluble
16	S	C	-1.5785	Soluble
17	Q	C	-1.9936	Soluble
18	S	C	-1.6424	Soluble
19	L	C	0.0000	Buried
20	S	C	-0.7023	Soluble
21	I	C	0.0000	Buried
22	T	C	-0.6131	Soluble
23	C	C	0.0000	Buried
24	T	C	-1.2519	Soluble
25	V	C	0.0000	Buried
26	S	C	-1.6823	Soluble
27	G	C	-1.4484	Soluble
28	F	C	-1.1500	Soluble
29	D	C	-1.6857	Soluble
30	L	C	0.0000	Buried
35	T	C	-1.2753	Soluble
36	D	C	-1.0355	Soluble
37	Y	C	-0.0321	Soluble
38	G	C	0.0000	Buried
39	V	C	0.0000	Buried
40	H	C	0.0000	Buried
41	W	C	0.0000	Buried
42	V	C	0.0000	Buried
43	R	C	0.0000	Buried
44	Q	C	-0.4818	Soluble
45	S	C	-1.0164	Soluble
46	P	C	-0.9503	Soluble
47	G	C	-1.5956	Soluble
48	K	C	-2.2440	Soluble
49	G	C	-1.1850	Soluble
50	L	C	0.0000	Buried
51	E	C	-0.6404	Soluble
52	W	C	0.0000	Buried
53	L	C	0.0000	Buried
54	G	C	0.0000	Buried
55	V	C	0.0000	Buried
56	I	C	0.0000	Buried
57	W	C	-0.6178	Soluble
58	S	C	-0.7470	Soluble
59	G	C	-1.1076	Soluble
63	G	C	-1.5277	Soluble
64	N	C	-1.8094	Soluble
65	T	C	-1.1880	Soluble
66	D	C	-0.8074	Soluble
67	Y	C	-0.3192	Soluble
68	N	C	-0.1789	Soluble
69	T	C	-0.2114	Soluble
70	P	C	-0.3893	Soluble
71	F	C	0.0000	Buried
72	T	C	-0.4185	Soluble
74	S	C	-0.5507	Soluble
75	R	C	-0.8965	Soluble
76	L	C	0.0000	Buried
77	S	C	-0.9155	Soluble
78	I	C	0.0000	Buried
79	N	C	-1.7262	Soluble
80	K	C	-1.4841	Soluble
81	D	C	-1.8207	Soluble
82	N	C	-2.2424	Soluble
83	S	C	-1.7831	Soluble
84	K	C	-2.3412	Soluble
85	S	C	-1.7985	Soluble
86	Q	C	-1.5141	Soluble
87	V	C	0.0000	Buried
88	F	C	-0.2948	Soluble
89	F	C	0.0000	Buried
90	K	C	-1.3447	Soluble
91	M	C	0.0000	Buried
92	N	C	-1.7038	Soluble
93	S	C	-1.5103	Soluble
94	L	C	0.0000	Buried
95	Q	C	-2.2013	Soluble
96	S	C	-1.5547	Soluble
97	N	C	-2.0068	Soluble
98	D	C	0.0000	Buried
99	T	C	-0.5632	Soluble
100	A	C	0.0000	Buried
101	I	C	0.6204	Aggregation-prone
102	Y	C	0.0000	Buried
103	Y	C	0.0000	Buried
104	C	C	0.0000	Buried
105	A	C	0.0000	Buried
106	R	C	0.0000	Buried
107	A	C	0.0000	Buried
108	L	C	0.8457	Aggregation-prone
109	T	C	1.0118	Aggregation-prone
110	Y	C	1.6426	Aggregation-prone
111	Y	C	1.7935	Aggregation-prone
112	D	C	0.9562	Aggregation-prone
113	Y	C	0.5181	Aggregation-prone
114	E	C	0.0000	Buried
115	F	C	0.0000	Buried
116	A	C	-0.0142	Soluble
117	Y	C	-0.1131	Soluble
118	W	C	-0.6879	Soluble
119	G	C	0.0000	Buried
120	Q	C	-1.8416	Soluble
121	G	C	-0.8602	Soluble
122	T	C	0.0000	Buried
123	L	C	0.3133	Aggregation-prone
124	V	C	0.0000	Buried
125	T	C	0.0000	Buried
126	V	C	0.0000	Buried
127	S	C	-0.6514	Soluble
128	A	C	-0.5202	Soluble
129	A	C	-0.2974	Soluble
130	S	C	-0.5485	Soluble
131	T	C	-0.7373	Soluble
132	K	C	-1.4851	Soluble
133	G	C	-1.4609	Soluble
134	P	C	0.0000	Buried
135	S	C	-0.4240	Soluble
136	V	C	0.0000	Buried
137	F	C	0.0000	Buried
138	P	C	-1.1292	Soluble
139	L	C	0.0000	Buried
140	A	C	-0.6223	Soluble
141	P	C	-0.4624	Soluble
142	S	C	-0.3901	Soluble
143	T	C	-0.3010	Soluble
144	A	C	-0.1903	Soluble
145	A	C	0.0000	Buried
146	L	C	0.0000	Buried
147	G	C	0.0000	Buried
148	C	C	0.0000	Buried
149	L	C	0.0000	Buried
150	V	C	0.0000	Buried
151	K	C	0.0000	Buried
152	D	C	-0.3885	Soluble
153	Y	C	0.0000	Buried
154	F	C	0.0000	Buried
155	P	C	0.0000	Buried
156	E	C	-0.6371	Soluble
157	P	C	-0.7070	Soluble
158	V	C	-0.6149	Soluble
159	T	C	-0.4929	Soluble
160	V	C	-0.3151	Soluble
161	S	C	-0.3386	Soluble
162	W	C	0.0000	Buried
163	N	C	-0.7197	Soluble
164	S	C	-0.6327	Soluble
165	G	C	-0.5045	Soluble
166	A	C	-0.2104	Soluble
167	L	C	-0.0107	Soluble
168	T	C	-0.1918	Soluble
169	S	C	-0.2492	Soluble
170	G	C	-0.2836	Soluble
171	V	C	0.0825	Aggregation-prone
172	H	C	-0.2881	Soluble
173	T	C	0.0737	Aggregation-prone
174	F	C	0.0000	Buried
175	P	C	-0.2019	Soluble
176	A	C	0.2738	Aggregation-prone
177	V	C	0.4735	Aggregation-prone
178	L	C	1.4378	Aggregation-prone
179	Q	C	0.3660	Aggregation-prone
180	S	C	-0.0050	Soluble
181	S	C	-0.2068	Soluble
182	G	C	-0.0299	Soluble
183	L	C	0.1029	Aggregation-prone
184	Y	C	0.4737	Aggregation-prone
185	S	C	0.0000	Buried
186	L	C	0.0000	Buried
187	S	C	0.0000	Buried
188	S	C	0.0000	Buried
189	V	C	0.0000	Buried
190	V	C	0.0000	Buried
191	T	C	-0.1691	Soluble
192	V	C	0.0000	Buried
193	P	C	-0.3969	Soluble
194	S	C	-0.4464	Soluble
195	S	C	-0.5438	Soluble
196	S	C	-0.5947	Soluble
197	L	C	-0.8539	Soluble
198	G	C	-1.0011	Soluble
199	T	C	-0.6946	Soluble
200	Q	C	-1.1581	Soluble
201	T	C	-1.1246	Soluble
202	Y	C	0.0000	Buried
203	I	C	-1.2277	Soluble
204	C	C	0.0000	Buried
205	N	C	-1.3234	Soluble
206	V	C	0.0000	Buried
207	N	C	-1.7064	Soluble
208	H	C	0.0000	Buried
209	K	C	-2.7081	Soluble
210	P	C	-1.6433	Soluble
211	S	C	-1.8648	Soluble
212	N	C	-2.5471	Soluble
213	T	C	-2.0454	Soluble
214	K	C	-2.5535	Soluble
215	V	C	-1.4678	Soluble
216	D	C	-2.4254	Soluble
217	K	C	-1.9162	Soluble
218	K	C	-2.4731	Soluble
219	V	C	0.0000	Buried
220	E	C	-2.4583	Soluble
221	P	C	-1.2017	Soluble
1	D	B	-1.4932	Soluble
2	I	B	0.0000	Buried
3	L	B	0.5716	Aggregation-prone
4	L	B	0.0000	Buried
5	T	B	-0.3132	Soluble
6	Q	B	-0.2970	Soluble
7	S	B	0.0547	Aggregation-prone
8	P	B	0.7095	Aggregation-prone
9	V	B	1.6635	Aggregation-prone
10	I	B	1.0068	Aggregation-prone
11	L	B	0.4522	Aggregation-prone
12	S	B	-0.1696	Soluble
13	V	B	0.0000	Buried
14	S	B	-1.7746	Soluble
15	P	B	-1.9831	Soluble
16	G	B	-2.3472	Soluble
17	E	B	-3.0925	Soluble
18	R	B	-3.3027	Soluble
19	V	B	0.0000	Buried
20	S	B	-0.9032	Soluble
21	F	B	0.0000	Buried
22	S	B	-1.0156	Soluble
23	C	B	0.0000	Buried
24	R	B	-2.2905	Soluble
25	A	B	0.0000	Buried
26	S	B	-1.0588	Soluble
27	Q	B	-1.8910	Soluble
28	S	B	-1.5396	Soluble
29	I	B	0.0000	Buried
36	G	B	-0.9757	Soluble
37	T	B	-1.1746	Soluble
38	N	B	-0.8252	Soluble
39	I	B	0.0000	Buried
40	H	B	0.0000	Buried
41	W	B	0.0000	Buried
42	Y	B	0.0000	Buried
43	Q	B	0.0000	Buried
44	Q	B	-1.5960	Soluble
45	R	B	-2.3914	Soluble
46	T	B	-1.8440	Soluble
47	N	B	-1.9328	Soluble
48	G	B	-1.6902	Soluble
49	S	B	-1.1208	Soluble
50	P	B	0.0000	Buried
51	R	B	-0.9587	Soluble
52	L	B	0.0000	Buried
53	L	B	0.0000	Buried
54	I	B	0.0000	Buried
55	K	B	0.0000	Buried
56	Y	B	-0.9873	Soluble
57	A	B	0.0000	Buried
65	D	B	-2.8612	Soluble
66	E	B	-2.9605	Soluble
67	S	B	-2.0205	Soluble
68	I	B	0.0000	Buried
69	D	B	-2.2195	Soluble
70	G	B	-1.3013	Soluble
71	I	B	-0.8375	Soluble
72	P	B	-0.5797	Soluble
74	S	B	-0.8261	Soluble
75	R	B	-1.2355	Soluble
76	F	B	0.0000	Buried
77	S	B	-1.3404	Soluble
78	G	B	-1.3821	Soluble
79	S	B	-1.4878	Soluble
80	G	B	-1.4312	Soluble
83	S	B	-1.2047	Soluble
84	G	B	-1.3846	Soluble
85	T	B	-1.9791	Soluble
86	D	B	-2.7990	Soluble
87	F	B	0.0000	Buried
88	T	B	-1.1171	Soluble
89	L	B	0.0000	Buried
90	S	B	0.0000	Buried
91	I	B	0.0000	Buried
92	N	B	-2.8654	Soluble
93	S	B	-2.5665	Soluble
94	V	B	0.0000	Buried
95	E	B	-2.5090	Soluble
96	S	B	-2.1180	Soluble
97	E	B	-2.4383	Soluble
98	D	B	0.0000	Buried
99	I	B	-1.4094	Soluble
100	A	B	0.0000	Buried
101	D	B	-1.0856	Soluble
102	Y	B	0.0000	Buried
103	Y	B	0.0000	Buried
104	C	B	0.0000	Buried
105	Q	B	0.0000	Buried
106	Q	B	0.0000	Buried
107	N	B	-0.5246	Soluble
108	N	B	-1.0349	Soluble
109	N	B	-0.7623	Soluble
114	W	B	0.4696	Aggregation-prone
115	P	B	0.0795	Aggregation-prone
116	T	B	0.0000	Buried
117	T	B	-0.0052	Soluble
118	F	B	0.0000	Buried
119	G	B	0.0000	Buried
120	A	B	-0.3618	Soluble
121	G	B	-0.0873	Soluble
122	T	B	0.0000	Buried
123	K	B	-0.6237	Soluble
124	L	B	0.0000	Buried
125	E	B	0.0000	Buried
126	L	B	0.0000	Buried
127	K	B	-1.2977	Soluble
128	R	B	-1.1663	Soluble
129	T	B	-0.1497	Soluble
130	V	B	0.4363	Aggregation-prone
131	A	B	0.0533	Aggregation-prone
132	A	B	-0.1625	Soluble
133	P	B	0.0000	Buried
134	S	B	-0.1743	Soluble
135	V	B	0.0000	Buried
136	F	B	0.0936	Aggregation-prone
137	I	B	0.1045	Aggregation-prone
138	F	B	0.0000	Buried
139	P	B	-0.4350	Soluble
140	P	B	0.0000	Buried
141	S	B	-1.5272	Soluble
142	D	B	-2.7662	Soluble
143	E	B	-2.6520	Soluble
144	Q	B	0.0000	Buried
145	L	B	-1.9730	Soluble
146	K	B	-2.7005	Soluble
147	S	B	-1.6611	Soluble
148	G	B	-1.1867	Soluble
149	T	B	-0.9397	Soluble
150	A	B	0.0000	Buried
151	S	B	0.0000	Buried
152	V	B	0.0000	Buried
153	V	B	0.0000	Buried
154	C	B	0.0000	Buried
155	L	B	0.0000	Buried
156	L	B	0.0000	Buried
157	N	B	0.0000	Buried
158	N	B	-0.8427	Soluble
159	F	B	0.0000	Buried
160	Y	B	0.0000	Buried
161	P	B	-1.1695	Soluble
162	R	B	-1.8494	Soluble
163	E	B	-2.5774	Soluble
164	A	B	-1.9726	Soluble
165	K	B	-2.0420	Soluble
166	V	B	-1.1242	Soluble
167	Q	B	-0.8278	Soluble
168	W	B	0.0000	Buried
169	K	B	-0.5273	Soluble
170	V	B	0.0000	Buried
171	D	B	-1.7701	Soluble
172	N	B	-1.4858	Soluble
173	A	B	-0.3262	Soluble
174	L	B	0.3807	Aggregation-prone
175	Q	B	-0.4430	Soluble
176	S	B	-0.8006	Soluble
177	G	B	-1.2374	Soluble
178	N	B	-1.4764	Soluble
179	S	B	-1.5888	Soluble
180	Q	B	-1.7272	Soluble
181	E	B	-1.9988	Soluble
182	S	B	-0.9010	Soluble
183	V	B	-0.2925	Soluble
184	T	B	0.0000	Buried
185	E	B	-1.8354	Soluble
186	Q	B	-1.5587	Soluble
187	D	B	-1.9519	Soluble
188	S	B	-2.1618	Soluble
189	K	B	-2.5156	Soluble
190	D	B	-1.9788	Soluble
191	S	B	-1.7403	Soluble
192	T	B	0.0000	Buried
193	Y	B	0.0000	Buried
194	S	B	0.0000	Buried
195	L	B	0.0000	Buried
196	S	B	0.0000	Buried
197	S	B	0.0000	Buried
198	T	B	-0.8262	Soluble
199	L	B	0.0000	Buried
200	T	B	-0.5915	Soluble
201	L	B	-0.7314	Soluble
202	S	B	-1.1808	Soluble
203	K	B	-2.0335	Soluble
204	A	B	-1.9805	Soluble
205	D	B	-2.5435	Soluble
206	Y	B	-2.4244	Soluble
207	E	B	-3.7375	Soluble
208	K	B	-3.7151	Soluble
209	H	B	-3.3068	Soluble
210	K	B	-3.2145	Soluble
211	V	B	-1.5325	Soluble
212	Y	B	0.0000	Buried
213	A	B	0.0000	Buried
214	C	B	0.0000	Buried
215	E	B	-0.7845	Soluble
216	V	B	0.0000	Buried
217	T	B	-1.1992	Soluble
218	H	B	0.0000	Buried
219	Q	B	-1.4405	Soluble
220	G	B	-0.4707	Soluble
221	L	B	-0.2565	Soluble
222	S	B	-0.4547	Soluble
223	S	B	-0.4052	Soluble
224	P	B	-0.4838	Soluble
225	V	B	0.0884	Aggregation-prone
226	T	B	-0.4595	Soluble
227	K	B	-0.7046	Soluble
228	S	B	-0.6495	Soluble
229	F	B	-0.7284	Soluble
230	N	B	-1.9830	Soluble

3D Structure — colored by A4D score

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

Load structure to view sequence…

Downloads

Download PDB View in RCSB

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	-0.6205	3.3363	CSV PDB
4.5	-0.668	3.3017	CSV PDB
5.0	-0.7234	3.2568	CSV PDB
5.5	-0.7766	3.2071	CSV PDB
6.0	-0.8171	3.1557	CSV PDB
6.5	-0.8364	3.1038	CSV PDB
7.0	-0.8343	3.0518	CSV PDB
7.5	-0.8183	3.0	CSV PDB
8.0	-0.7945	2.9492	CSV PDB
8.5	-0.7644	2.9013	CSV PDB
9.0	-0.7271	2.8606	CSV PDB