Clesrovimab / 6ous

Calculation Parameters

Chain Sequence(s)	`EVQLVESGGGLVRPGRSLRLSCTVSGFSFDDSAMSWVRQAPGKGLEWISFIKSKTYGGTKEYAASVKGRFTISRDDSKNIAYLQMNSLKTEDTAVYYCTRGAPYGGNSDYYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRTSQDVRGALAWYQQKPGKAPKLLIFDASSLETGVPSRFSGSGSGTVFTLTISSLQPEDFAAYYCQQFLDFPFTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE` input.pdb
Selected Chain(s)	W (Heavy), X (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 -3.4942

Maximum Score 0.9109

Average Score -0.7499

Total Score -328.4472

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	E	W	-1.5488	Soluble
2	V	W	-0.1517	Soluble
3	Q	W	-0.7646	Soluble
4	L	W	0.0000	Buried
5	V	W	0.1624	Aggregation-prone
6	E	W	0.0000	Buried
7	S	W	-0.6371	Soluble
8	G	W	-0.8666	Soluble
9	G	W	-0.5457	Soluble
11	G	W	0.1094	Aggregation-prone
12	L	W	0.4572	Aggregation-prone
13	V	W	0.0000	Buried
14	R	W	-1.9706	Soluble
15	P	W	-2.2892	Soluble
16	G	W	-2.4285	Soluble
17	R	W	-2.8972	Soluble
18	S	W	-1.9988	Soluble
19	L	W	-1.4995	Soluble
20	R	W	-2.0572	Soluble
21	L	W	0.0000	Buried
22	S	W	-0.5322	Soluble
23	C	W	0.0000	Buried
24	T	W	-0.4317	Soluble
25	V	W	0.0000	Buried
26	S	W	-0.5088	Soluble
27	G	W	-0.5764	Soluble
28	F	W	-0.4552	Soluble
29	S	W	-1.0725	Soluble
30	F	W	0.0000	Buried
35	D	W	-3.2450	Soluble
36	D	W	-2.4312	Soluble
37	S	W	0.0000	Buried
38	A	W	0.0000	Buried
39	M	W	0.0000	Buried
40	S	W	0.0000	Buried
41	W	W	0.0000	Buried
42	V	W	0.0000	Buried
43	R	W	0.0000	Buried
44	Q	W	-0.8202	Soluble
45	A	W	-1.2514	Soluble
46	P	W	-0.9705	Soluble
47	G	W	-1.4712	Soluble
48	K	W	-2.3874	Soluble
49	G	W	-1.6648	Soluble
50	L	W	0.0000	Buried
51	E	W	-1.1385	Soluble
52	W	W	0.0000	Buried
53	I	W	0.0000	Buried
54	S	W	0.0000	Buried
55	F	W	0.0000	Buried
56	I	W	0.0000	Buried
57	K	W	-1.4595	Soluble
58	S	W	0.0000	Buried
59	K	W	-2.5836	Soluble
60	T	W	-1.5529	Soluble
61	Y	W	-0.7842	Soluble
62	G	W	-1.1017	Soluble
63	G	W	-1.3365	Soluble
64	T	W	-1.1103	Soluble
65	K	W	-1.4024	Soluble
66	E	W	-1.0998	Soluble
67	Y	W	-0.8207	Soluble
68	A	W	0.0000	Buried
69	A	W	-0.8561	Soluble
70	S	W	-0.9068	Soluble
71	V	W	0.0000	Buried
72	K	W	-2.0459	Soluble
74	G	W	-1.5249	Soluble
75	R	W	-1.5409	Soluble
76	F	W	0.0000	Buried
77	T	W	-1.0576	Soluble
78	I	W	0.0000	Buried
79	S	W	-0.5982	Soluble
80	R	W	-1.4760	Soluble
81	D	W	-1.7742	Soluble
82	D	W	-2.4683	Soluble
83	S	W	-1.8433	Soluble
84	K	W	-2.5392	Soluble
85	N	W	-2.0659	Soluble
86	I	W	0.0000	Buried
87	A	W	0.0000	Buried
88	Y	W	-0.6369	Soluble
89	L	W	0.0000	Buried
90	Q	W	-1.2470	Soluble
91	M	W	0.0000	Buried
92	N	W	-1.9621	Soluble
93	S	W	-1.9497	Soluble
94	L	W	0.0000	Buried
95	K	W	-3.0864	Soluble
96	T	W	-2.0868	Soluble
97	E	W	-2.4603	Soluble
98	D	W	0.0000	Buried
99	T	W	-0.8005	Soluble
100	A	W	0.0000	Buried
101	V	W	0.0498	Aggregation-prone
102	Y	W	0.0000	Buried
103	Y	W	0.0000	Buried
104	C	W	0.0000	Buried
105	T	W	0.0000	Buried
106	R	W	-0.4298	Soluble
107	G	W	0.0000	Buried
108	A	W	0.0000	Buried
109	P	W	-0.0701	Soluble
110	Y	W	0.4217	Aggregation-prone
111	G	W	-0.5417	Soluble
111A	G	W	-1.1150	Soluble
111B	N	W	-1.2521	Soluble
112C	S	W	-0.3086	Soluble
112B	D	W	-0.0007	Soluble
112A	Y	W	0.9109	Aggregation-prone
112	Y	W	0.0000	Buried
113	Y	W	0.4277	Aggregation-prone
114	G	W	0.0000	Buried
115	L	W	0.0000	Buried
116	D	W	-0.9574	Soluble
117	V	W	-0.4958	Soluble
118	W	W	-0.4875	Soluble
119	G	W	0.0000	Buried
120	Q	W	-1.4818	Soluble
121	G	W	0.0000	Buried
122	T	W	-0.2679	Soluble
123	T	W	0.0061	Aggregation-prone
124	V	W	0.0000	Buried
125	T	W	-0.3198	Soluble
126	V	W	0.0000	Buried
127	S	W	-0.8956	Soluble
128	S	W	-0.6606	Soluble
129	A	W	-0.5457	Soluble
130	S	W	-0.6492	Soluble
131	T	W	-0.8215	Soluble
132	K	W	-1.2802	Soluble
133	G	W	-1.4040	Soluble
134	P	W	-0.6556	Soluble
135	S	W	-0.2779	Soluble
136	V	W	0.0000	Buried
137	F	W	0.0000	Buried
138	P	W	-1.3024	Soluble
139	L	W	0.0000	Buried
140	A	W	-1.1624	Soluble
141	P	W	-0.7141	Soluble
142	S	W	-0.8371	Soluble
143	S	W	-0.4060	Soluble
144	G	W	-0.6257	Soluble
145	T	W	-0.4969	Soluble
146	A	W	-0.2742	Soluble
147	A	W	0.0000	Buried
148	L	W	0.0000	Buried
149	G	W	0.0000	Buried
150	C	W	0.0000	Buried
151	L	W	0.0000	Buried
152	V	W	0.0000	Buried
153	K	W	0.0000	Buried
154	D	W	-0.5179	Soluble
155	Y	W	0.0000	Buried
156	F	W	0.0000	Buried
157	P	W	-0.9859	Soluble
158	E	W	-1.5641	Soluble
159	P	W	-1.3801	Soluble
160	V	W	-0.9617	Soluble
161	T	W	-0.7063	Soluble
162	V	W	-0.4099	Soluble
163	S	W	-0.4387	Soluble
164	W	W	0.0000	Buried
165	N	W	-0.6986	Soluble
166	S	W	-0.6714	Soluble
167	G	W	-0.5714	Soluble
168	A	W	-0.2172	Soluble
169	L	W	0.0409	Aggregation-prone
170	T	W	-0.1562	Soluble
171	S	W	-0.1847	Soluble
172	G	W	-0.2368	Soluble
173	V	W	0.1523	Aggregation-prone
174	H	W	-0.3376	Soluble
175	T	W	0.0070	Aggregation-prone
176	F	W	0.0000	Buried
177	P	W	-0.1270	Soluble
178	A	W	0.1690	Aggregation-prone
179	V	W	0.3165	Aggregation-prone
180	L	W	0.8321	Aggregation-prone
181	Q	W	0.0629	Aggregation-prone
182	S	W	-0.2493	Soluble
183	S	W	-0.2277	Soluble
184	G	W	-0.0059	Soluble
185	L	W	-0.0713	Soluble
186	Y	W	0.0000	Buried
187	S	W	0.0755	Aggregation-prone
188	L	W	0.0000	Buried
189	S	W	0.0000	Buried
190	S	W	0.0000	Buried
191	V	W	0.0000	Buried
192	V	W	0.0000	Buried
193	T	W	-0.1644	Soluble
194	V	W	0.0000	Buried
195	P	W	-0.5583	Soluble
196	S	W	-0.5483	Soluble
197	S	W	-0.5817	Soluble
198	S	W	-0.5488	Soluble
199	L	W	-0.6396	Soluble
200	G	W	-0.8365	Soluble
201	T	W	-0.6587	Soluble
202	Q	W	-0.9047	Soluble
203	T	W	-1.0016	Soluble
204	Y	W	0.0000	Buried
205	I	W	-1.3845	Soluble
206	C	W	0.0000	Buried
207	N	W	-1.7031	Soluble
208	V	W	0.0000	Buried
209	N	W	-1.9781	Soluble
210	H	W	0.0000	Buried
211	K	W	-2.8866	Soluble
212	P	W	-1.7979	Soluble
213	S	W	-1.8507	Soluble
214	N	W	-2.6321	Soluble
215	T	W	-2.1109	Soluble
216	K	W	-2.7156	Soluble
217	V	W	-1.7852	Soluble
218	D	W	-2.7436	Soluble
219	K	W	-2.2665	Soluble
220	K	W	-2.6959	Soluble
221	V	W	0.0000	Buried
222	E	W	-2.7387	Soluble
223	P	W	-2.0060	Soluble
224	K	W	-2.5964	Soluble
225	S	W	-1.1507	Soluble
226	C	W	-0.7709	Soluble
1	D	X	-2.3003	Soluble
2	I	X	-1.9188	Soluble
3	Q	X	-2.0147	Soluble
4	M	X	0.0000	Buried
5	T	X	-1.1353	Soluble
6	Q	X	0.0000	Buried
7	S	X	-0.6482	Soluble
8	P	X	-0.4983	Soluble
9	S	X	-0.7032	Soluble
10	S	X	-0.4339	Soluble
11	L	X	-0.1545	Soluble
12	S	X	-0.5403	Soluble
13	A	X	0.0000	Buried
14	S	X	-0.5551	Soluble
15	V	X	0.1338	Aggregation-prone
16	G	X	-0.7986	Soluble
17	D	X	-1.6264	Soluble
18	R	X	-2.2587	Soluble
19	V	X	0.0000	Buried
20	T	X	-0.4840	Soluble
21	I	X	0.0000	Buried
22	T	X	-0.3479	Soluble
23	C	X	0.0000	Buried
24	R	X	-1.8420	Soluble
25	T	X	0.0000	Buried
26	S	X	-1.9437	Soluble
27	Q	X	-2.9094	Soluble
28	D	X	-3.0873	Soluble
29	V	X	0.0000	Buried
36	R	X	-2.7124	Soluble
37	G	X	-1.5454	Soluble
38	A	X	0.0000	Buried
39	L	X	0.0000	Buried
40	A	X	0.0000	Buried
41	W	X	0.0000	Buried
42	Y	X	0.0000	Buried
43	Q	X	0.0000	Buried
44	Q	X	0.0000	Buried
45	K	X	-1.7226	Soluble
46	P	X	-1.4018	Soluble
47	G	X	-1.6348	Soluble
48	K	X	-2.5869	Soluble
49	A	X	-1.6618	Soluble
50	P	X	0.0000	Buried
51	K	X	-1.8067	Soluble
52	L	X	0.0000	Buried
53	L	X	0.0000	Buried
54	I	X	0.0000	Buried
55	F	X	-0.0765	Soluble
56	D	X	-0.8267	Soluble
57	A	X	-0.7676	Soluble
65	S	X	-0.4881	Soluble
66	S	X	-0.2021	Soluble
67	L	X	0.1269	Aggregation-prone
68	E	X	-0.4848	Soluble
69	T	X	-0.2904	Soluble
70	G	X	-0.4726	Soluble
71	V	X	-0.3531	Soluble
72	P	X	-0.3813	Soluble
74	S	X	-0.4296	Soluble
75	R	X	-0.8086	Soluble
76	F	X	0.0000	Buried
77	S	X	-0.3847	Soluble
78	G	X	-0.3703	Soluble
79	S	X	-0.4974	Soluble
80	G	X	-0.4053	Soluble
83	S	X	-0.9797	Soluble
84	G	X	-1.7426	Soluble
85	T	X	-1.4545	Soluble
86	V	X	-0.3554	Soluble
87	F	X	0.0000	Buried
88	T	X	-0.3092	Soluble
89	L	X	0.0000	Buried
90	T	X	-0.6040	Soluble
91	I	X	0.0000	Buried
92	S	X	-1.3404	Soluble
93	S	X	-1.0963	Soluble
94	L	X	0.0000	Buried
95	Q	X	-1.0574	Soluble
96	P	X	-0.9600	Soluble
97	E	X	-1.9539	Soluble
98	D	X	0.0000	Buried
99	F	X	-0.4257	Soluble
100	A	X	0.0000	Buried
101	A	X	-0.4846	Soluble
102	Y	X	0.0000	Buried
103	Y	X	0.0000	Buried
104	C	X	0.0000	Buried
105	Q	X	0.0000	Buried
106	Q	X	0.0000	Buried
107	F	X	0.0000	Buried
108	L	X	-0.9088	Soluble
109	D	X	-1.4345	Soluble
114	F	X	-0.7377	Soluble
115	P	X	-0.6386	Soluble
116	F	X	0.0000	Buried
117	T	X	-0.8798	Soluble
118	F	X	0.0000	Buried
119	G	X	0.0000	Buried
120	Q	X	-1.7577	Soluble
121	G	X	-1.1691	Soluble
122	T	X	0.0000	Buried
123	R	X	-0.9345	Soluble
124	L	X	0.0000	Buried
125	E	X	0.0000	Buried
126	I	X	-0.2795	Soluble
127	K	X	-1.3989	Soluble
128	R	X	-1.1561	Soluble
129	T	X	-0.2319	Soluble
130	V	X	0.5270	Aggregation-prone
131	A	X	0.1748	Aggregation-prone
132	A	X	-0.1017	Soluble
133	P	X	0.0000	Buried
134	S	X	-0.1040	Soluble
135	V	X	0.0000	Buried
136	F	X	0.1447	Aggregation-prone
137	I	X	0.1133	Aggregation-prone
138	F	X	0.0000	Buried
139	P	X	-0.7787	Soluble
140	P	X	0.0000	Buried
141	S	X	-1.9100	Soluble
142	D	X	-3.2252	Soluble
143	E	X	-3.2159	Soluble
144	Q	X	0.0000	Buried
145	L	X	-2.3033	Soluble
146	K	X	-2.8443	Soluble
147	S	X	-1.8045	Soluble
148	G	X	-1.2639	Soluble
149	T	X	-0.8247	Soluble
150	A	X	0.0000	Buried
151	S	X	0.0000	Buried
152	V	X	0.0000	Buried
153	V	X	0.0000	Buried
154	C	X	0.0000	Buried
155	L	X	0.0000	Buried
156	L	X	0.0000	Buried
157	N	X	-0.3186	Soluble
158	N	X	-0.8220	Soluble
159	F	X	0.0000	Buried
160	Y	X	0.0000	Buried
161	P	X	-1.1745	Soluble
162	R	X	-1.7625	Soluble
163	E	X	-2.6272	Soluble
164	A	X	-1.9735	Soluble
165	K	X	-2.1350	Soluble
166	V	X	-0.9074	Soluble
167	Q	X	-0.4370	Soluble
168	W	X	0.0000	Buried
169	K	X	-0.4419	Soluble
170	V	X	0.0000	Buried
171	D	X	-1.5313	Soluble
172	N	X	-1.1182	Soluble
173	A	X	-0.1041	Soluble
174	L	X	0.8392	Aggregation-prone
175	Q	X	-0.0366	Soluble
176	S	X	-0.4856	Soluble
177	G	X	-0.9362	Soluble
178	N	X	-0.8782	Soluble
179	S	X	-1.3263	Soluble
180	Q	X	-2.0391	Soluble
181	E	X	-2.0074	Soluble
182	S	X	-0.7460	Soluble
183	V	X	-0.3185	Soluble
184	T	X	-0.9304	Soluble
185	E	X	-2.0861	Soluble
186	Q	X	-1.6867	Soluble
187	D	X	-1.9640	Soluble
188	S	X	-1.6660	Soluble
189	K	X	-2.2128	Soluble
190	D	X	-1.5933	Soluble
191	S	X	-1.7021	Soluble
192	T	X	0.0000	Buried
193	Y	X	0.0000	Buried
194	S	X	0.0000	Buried
195	L	X	0.0000	Buried
196	S	X	0.0000	Buried
197	S	X	0.0000	Buried
198	T	X	-0.8842	Soluble
199	L	X	0.0000	Buried
200	T	X	-0.3588	Soluble
201	L	X	-0.5175	Soluble
202	S	X	-0.9901	Soluble
203	K	X	-1.9996	Soluble
204	A	X	-1.7806	Soluble
205	D	X	-2.3743	Soluble
206	Y	X	0.0000	Buried
207	E	X	-3.3571	Soluble
208	K	X	-3.4942	Soluble
209	H	X	-3.0011	Soluble
210	K	X	-3.1648	Soluble
211	V	X	-1.8831	Soluble
212	Y	X	0.0000	Buried
213	A	X	0.0000	Buried
214	C	X	0.0000	Buried
215	E	X	-0.7595	Soluble
216	V	X	0.0000	Buried
217	T	X	-1.1257	Soluble
218	H	X	0.0000	Buried
219	Q	X	-1.6366	Soluble
220	G	X	-0.4518	Soluble
221	L	X	-0.2467	Soluble
222	S	X	-0.4818	Soluble
223	S	X	-0.4046	Soluble
224	P	X	-0.5488	Soluble
225	V	X	0.0427	Aggregation-prone
226	T	X	-0.4541	Soluble
227	K	X	-0.7844	Soluble
228	S	X	-0.7538	Soluble
229	F	X	-1.3793	Soluble
230	N	X	-2.6242	Soluble
231	R	X	-2.9599	Soluble
232	G	X	-2.1326	Soluble
233	E	X	-2.5501	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	-0.764	1.8028	CSV PDB
4.5	-0.8116	1.7559	CSV PDB
5.0	-0.8676	1.7021	CSV PDB
5.5	-0.922	1.6508	CSV PDB
6.0	-0.9625	1.6105	CSV PDB
6.5	-0.9785	1.5863	CSV PDB
7.0	-0.9689	1.5756	CSV PDB
7.5	-0.9417	1.5717	CSV PDB
8.0	-0.9045	1.5704	CSV PDB
8.5	-0.8599	1.57	CSV PDB
9.0	-0.8074	1.6407	CSV PDB