Tixagevimab / 7e3k

Calculation Parameters

Chain Sequence(s)	`QMQLVQSGPEVKKPGTSVKVSCKASGFTFSGSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQRFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSSTSCRDGFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEIVLTQSPGTLSLSPGERATLSCRASQSVRSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGRSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC` input.pdb
Selected Chain(s)	D (Heavy), E (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 -3.9176

Maximum Score 1.2984

Average Score -0.8282

Total Score -361.1005

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	D	-1.3659	Soluble
2	M	D	-0.6316	Soluble
3	Q	D	-0.8025	Soluble
4	L	D	0.0000	Buried
5	V	D	0.8251	Aggregation-prone
6	Q	D	0.0000	Buried
7	S	D	-0.6248	Soluble
8	G	D	-0.7883	Soluble
9	P	D	-0.8944	Soluble
11	E	D	-1.1326	Soluble
12	V	D	-0.1119	Soluble
13	K	D	-1.1956	Soluble
14	K	D	-2.0627	Soluble
15	P	D	-1.9817	Soluble
16	G	D	-1.3659	Soluble
17	T	D	-1.1319	Soluble
18	S	D	-1.2089	Soluble
19	V	D	-1.2905	Soluble
20	K	D	-1.9362	Soluble
21	V	D	0.0000	Buried
22	S	D	-0.5062	Soluble
23	C	D	0.0000	Buried
24	K	D	-0.4677	Soluble
25	A	D	0.0000	Buried
26	S	D	-0.5376	Soluble
27	G	D	-0.8121	Soluble
28	F	D	-0.2839	Soluble
29	T	D	-0.1344	Soluble
30	F	D	0.0000	Buried
35	S	D	-0.4902	Soluble
36	G	D	-0.6123	Soluble
37	S	D	0.0000	Buried
38	A	D	-0.0786	Soluble
39	V	D	0.0000	Buried
40	Q	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	0.0000	Buried
45	A	D	-1.8909	Soluble
46	R	D	-2.5783	Soluble
47	G	D	-2.4112	Soluble
48	Q	D	-2.9647	Soluble
49	R	D	-3.0267	Soluble
50	L	D	0.0000	Buried
51	E	D	-0.9074	Soluble
52	W	D	0.0000	Buried
53	I	D	0.0000	Buried
54	G	D	0.0000	Buried
55	W	D	-0.1831	Soluble
56	I	D	0.0000	Buried
57	V	D	-0.4320	Soluble
58	V	D	0.0000	Buried
59	G	D	-0.8904	Soluble
62	S	D	-0.8320	Soluble
63	G	D	-0.9368	Soluble
64	N	D	-1.5625	Soluble
65	T	D	-1.0849	Soluble
66	N	D	-1.5777	Soluble
67	Y	D	-1.6364	Soluble
68	A	D	0.0000	Buried
69	Q	D	-3.1279	Soluble
70	R	D	-3.2082	Soluble
71	F	D	0.0000	Buried
72	Q	D	-3.5165	Soluble
74	E	D	-3.4232	Soluble
75	R	D	-2.7225	Soluble
76	V	D	0.0000	Buried
77	T	D	-1.2741	Soluble
78	I	D	0.0000	Buried
79	T	D	-0.7797	Soluble
80	R	D	-0.8323	Soluble
81	D	D	-0.8793	Soluble
82	M	D	-0.2741	Soluble
83	S	D	-0.3304	Soluble
84	T	D	-0.4503	Soluble
85	S	D	-0.5454	Soluble
86	T	D	0.0000	Buried
87	A	D	0.0000	Buried
88	Y	D	-0.6594	Soluble
89	M	D	0.0000	Buried
90	E	D	-1.6449	Soluble
91	L	D	0.0000	Buried
92	S	D	-1.3865	Soluble
93	S	D	-0.8378	Soluble
94	L	D	0.0000	Buried
95	R	D	-2.3454	Soluble
96	S	D	-2.1002	Soluble
97	E	D	-2.3625	Soluble
98	D	D	-1.4827	Soluble
99	T	D	-0.9433	Soluble
100	A	D	0.0000	Buried
101	V	D	-0.1453	Soluble
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	A	D	0.0000	Buried
107	P	D	-0.4047	Soluble
108	Y	D	-0.1023	Soluble
109	C	D	0.0000	Buried
110	S	D	-0.2827	Soluble
111	S	D	-0.3847	Soluble
111A	T	D	-0.2713	Soluble
112B	S	D	-0.5217	Soluble
112A	C	D	-0.6355	Soluble
112	R	D	-1.6876	Soluble
113	D	D	-2.1384	Soluble
114	G	D	0.0000	Buried
115	F	D	0.0000	Buried
116	D	D	-0.8688	Soluble
117	I	D	0.0000	Buried
118	W	D	-0.4539	Soluble
119	G	D	0.0000	Buried
120	Q	D	-1.2382	Soluble
121	G	D	-0.6018	Soluble
122	T	D	0.0000	Buried
123	M	D	-0.2999	Soluble
124	V	D	0.0000	Buried
125	T	D	-0.5534	Soluble
126	V	D	0.0000	Buried
127	S	D	-0.9137	Soluble
128	S	D	-0.7948	Soluble
129	A	D	-0.8366	Soluble
130	S	D	-0.7981	Soluble
131	T	D	-1.1861	Soluble
132	K	D	-2.0050	Soluble
133	G	D	-1.5857	Soluble
134	P	D	-1.2630	Soluble
135	S	D	-0.6750	Soluble
136	V	D	-0.6208	Soluble
137	F	D	-0.5260	Soluble
138	P	D	-0.2953	Soluble
139	L	D	0.0000	Buried
140	A	D	-0.0609	Soluble
141	P	D	-0.3346	Soluble
142	S	D	-0.6368	Soluble
143	S	D	-1.1659	Soluble
144	K	D	-1.8634	Soluble
145	S	D	-1.1643	Soluble
146	T	D	0.0000	Buried
147	S	D	-1.1334	Soluble
148	G	D	-1.1687	Soluble
149	G	D	-0.8851	Soluble
150	T	D	-0.5635	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
155	C	D	0.0000	Buried
156	L	D	0.0000	Buried
157	V	D	0.0000	Buried
158	K	D	-0.4355	Soluble
159	D	D	-0.8861	Soluble
160	Y	D	0.0000	Buried
161	F	D	0.0000	Buried
162	P	D	-0.9022	Soluble
163	E	D	-0.9427	Soluble
164	P	D	-0.9502	Soluble
165	V	D	0.0000	Buried
166	T	D	-0.7686	Soluble
167	V	D	-0.4747	Soluble
168	S	D	-0.4485	Soluble
169	W	D	0.0000	Buried
170	N	D	-0.5517	Soluble
171	S	D	-0.6646	Soluble
172	G	D	-0.5556	Soluble
173	A	D	-0.2529	Soluble
174	L	D	-0.0439	Soluble
175	T	D	-0.1944	Soluble
176	S	D	-0.1927	Soluble
177	G	D	-0.1462	Soluble
178	V	D	0.1319	Aggregation-prone
179	H	D	-0.3225	Soluble
180	T	D	-0.0427	Soluble
181	F	D	0.0000	Buried
182	P	D	-0.2038	Soluble
183	A	D	0.2898	Aggregation-prone
184	V	D	0.4487	Aggregation-prone
185	L	D	1.1222	Aggregation-prone
186	Q	D	-0.2466	Soluble
187	S	D	-0.2979	Soluble
188	S	D	-0.4461	Soluble
189	G	D	-0.4894	Soluble
190	L	D	0.0000	Buried
191	Y	D	0.0000	Buried
192	S	D	0.0371	Aggregation-prone
193	L	D	0.2841	Aggregation-prone
194	S	D	0.0709	Aggregation-prone
195	S	D	0.0000	Buried
196	V	D	0.0000	Buried
197	V	D	0.0000	Buried
198	T	D	-0.1146	Soluble
199	V	D	0.0000	Buried
200	P	D	-0.7023	Soluble
201	S	D	-0.6786	Soluble
202	S	D	-0.6911	Soluble
203	S	D	-0.6439	Soluble
204	L	D	-0.5252	Soluble
205	G	D	-0.7966	Soluble
206	T	D	-0.7647	Soluble
207	Q	D	-1.0218	Soluble
208	T	D	-0.7793	Soluble
209	Y	D	0.0000	Buried
210	I	D	-0.9162	Soluble
211	C	D	0.0000	Buried
212	N	D	-1.3496	Soluble
213	V	D	0.0000	Buried
214	N	D	-2.0015	Soluble
215	H	D	0.0000	Buried
216	K	D	-2.8073	Soluble
217	P	D	-1.7619	Soluble
218	S	D	-1.8933	Soluble
219	N	D	-2.5288	Soluble
220	T	D	-1.9641	Soluble
221	K	D	-2.6597	Soluble
222	V	D	-1.6200	Soluble
223	D	D	-2.5798	Soluble
224	K	D	-1.9203	Soluble
225	K	D	-2.0757	Soluble
226	V	D	-0.8757	Soluble
1	E	E	-1.8602	Soluble
2	I	E	-0.3973	Soluble
3	V	E	0.7797	Aggregation-prone
4	L	E	0.0000	Buried
5	T	E	-0.4643	Soluble
6	Q	E	0.0000	Buried
7	S	E	-0.8276	Soluble
8	P	E	-0.5976	Soluble
9	G	E	-0.9007	Soluble
10	T	E	-0.6647	Soluble
11	L	E	-0.2945	Soluble
12	S	E	-0.5540	Soluble
13	L	E	-1.1784	Soluble
14	S	E	-1.5761	Soluble
15	P	E	-2.0696	Soluble
16	G	E	-2.7223	Soluble
17	E	E	-3.3978	Soluble
18	R	E	-3.2900	Soluble
19	A	E	0.0000	Buried
20	T	E	-0.4959	Soluble
21	L	E	0.0000	Buried
22	S	E	-0.9693	Soluble
23	C	E	0.0000	Buried
24	R	E	-2.3603	Soluble
25	A	E	0.0000	Buried
26	S	E	-1.1069	Soluble
27	Q	E	-1.5113	Soluble
28	S	E	-1.3835	Soluble
29	V	E	-1.5928	Soluble
30	R	E	-2.0778	Soluble
36	S	E	-1.3720	Soluble
37	S	E	-0.9456	Soluble
38	Y	E	-0.5834	Soluble
39	L	E	0.0000	Buried
40	A	E	0.0000	Buried
41	W	E	0.0000	Buried
42	Y	E	0.0000	Buried
43	Q	E	-1.1424	Soluble
44	Q	E	-1.6615	Soluble
45	K	E	-2.2881	Soluble
46	P	E	-1.7559	Soluble
47	G	E	-1.9127	Soluble
48	Q	E	-2.3881	Soluble
49	A	E	-1.6548	Soluble
50	P	E	0.0000	Buried
51	R	E	-1.9557	Soluble
52	L	E	0.0000	Buried
53	L	E	0.0000	Buried
54	I	E	0.0000	Buried
55	Y	E	-0.7827	Soluble
56	G	E	-0.9968	Soluble
57	A	E	0.0000	Buried
65	S	E	-0.7125	Soluble
66	S	E	-0.8186	Soluble
67	R	E	-1.5349	Soluble
68	A	E	-1.0050	Soluble
69	T	E	-0.5995	Soluble
70	G	E	-0.9242	Soluble
71	I	E	0.0000	Buried
72	P	E	-1.3471	Soluble
74	D	E	-2.1978	Soluble
75	R	E	-1.8872	Soluble
76	F	E	0.0000	Buried
77	S	E	-0.9403	Soluble
78	G	E	-0.5738	Soluble
79	S	E	-0.7788	Soluble
80	G	E	-1.1391	Soluble
83	S	E	-1.6054	Soluble
84	G	E	-1.5102	Soluble
85	T	E	-2.1865	Soluble
86	D	E	-2.6644	Soluble
87	F	E	0.0000	Buried
88	T	E	-0.8903	Soluble
89	L	E	0.0000	Buried
90	T	E	-0.7583	Soluble
91	I	E	0.0000	Buried
92	S	E	-2.4912	Soluble
93	R	E	-3.4879	Soluble
94	L	E	0.0000	Buried
95	E	E	-3.0015	Soluble
96	P	E	-2.1177	Soluble
97	E	E	-2.6212	Soluble
98	D	E	-1.9021	Soluble
99	F	E	-1.0751	Soluble
100	A	E	0.0000	Buried
101	V	E	-0.6903	Soluble
102	Y	E	0.0000	Buried
103	Y	E	0.0000	Buried
104	C	E	0.0000	Buried
105	Q	E	0.0000	Buried
106	Q	E	0.0000	Buried
107	Y	E	-0.7089	Soluble
108	G	E	-1.5400	Soluble
109	R	E	-2.2388	Soluble
114	S	E	-1.3449	Soluble
115	P	E	-1.1506	Soluble
116	W	E	-0.2306	Soluble
117	T	E	0.0181	Aggregation-prone
118	F	E	0.0000	Buried
119	G	E	0.0000	Buried
120	Q	E	-1.4093	Soluble
121	G	E	-1.3660	Soluble
122	T	E	0.0000	Buried
123	K	E	-1.1291	Soluble
124	V	E	0.0000	Buried
125	E	E	-0.9766	Soluble
126	I	E	-0.7672	Soluble
127	K	E	-1.6605	Soluble
128	R	E	-2.1057	Soluble
129	T	E	-0.7165	Soluble
130	V	E	1.0665	Aggregation-prone
131	A	E	0.3618	Aggregation-prone
132	A	E	0.3391	Aggregation-prone
133	P	E	0.2638	Aggregation-prone
134	S	E	0.1699	Aggregation-prone
135	V	E	0.4569	Aggregation-prone
136	F	E	0.3301	Aggregation-prone
137	I	E	0.0000	Buried
138	F	E	0.0000	Buried
139	P	E	-0.2609	Soluble
140	P	E	-0.4289	Soluble
141	S	E	-1.2201	Soluble
142	D	E	-2.4329	Soluble
143	E	E	-2.1287	Soluble
144	Q	E	0.0000	Buried
145	L	E	-1.7420	Soluble
146	K	E	-2.5176	Soluble
147	S	E	-1.5829	Soluble
148	G	E	-1.4503	Soluble
149	T	E	-0.9854	Soluble
150	A	E	0.0000	Buried
151	S	E	0.0000	Buried
152	V	E	0.0000	Buried
153	V	E	0.0000	Buried
154	C	E	0.0000	Buried
155	L	E	0.0000	Buried
156	L	E	0.0000	Buried
157	N	E	-0.2133	Soluble
158	N	E	-0.5156	Soluble
159	F	E	0.0000	Buried
160	Y	E	-0.8062	Soluble
161	P	E	-1.2466	Soluble
162	R	E	-2.3437	Soluble
163	E	E	-2.2933	Soluble
164	A	E	-1.8027	Soluble
165	K	E	-2.2934	Soluble
166	V	E	-1.2495	Soluble
167	Q	E	-0.9097	Soluble
168	W	E	0.0000	Buried
169	K	E	-0.8469	Soluble
170	V	E	-1.2466	Soluble
171	D	E	-2.4336	Soluble
172	N	E	-1.7787	Soluble
173	A	E	-0.5324	Soluble
174	L	E	0.5792	Aggregation-prone
175	Q	E	-0.4396	Soluble
176	S	E	-0.4781	Soluble
177	G	E	-1.0204	Soluble
178	N	E	-1.6257	Soluble
179	S	E	-1.5551	Soluble
180	Q	E	-1.6459	Soluble
181	E	E	-1.9720	Soluble
182	S	E	0.0000	Buried
183	V	E	-0.7630	Soluble
184	T	E	-1.3766	Soluble
185	E	E	-2.6264	Soluble
186	Q	E	-2.6778	Soluble
187	D	E	-3.1821	Soluble
188	S	E	-2.3253	Soluble
189	K	E	-2.8106	Soluble
190	D	E	-2.0651	Soluble
191	S	E	0.0000	Buried
192	T	E	0.0000	Buried
193	Y	E	0.0000	Buried
194	S	E	0.0000	Buried
195	L	E	0.0000	Buried
196	S	E	0.0000	Buried
197	S	E	0.0000	Buried
198	T	E	-0.6625	Soluble
199	L	E	0.0000	Buried
200	T	E	-0.5146	Soluble
201	L	E	-0.9021	Soluble
202	S	E	-1.8332	Soluble
203	K	E	-2.9241	Soluble
204	A	E	-2.5764	Soluble
205	D	E	-3.3125	Soluble
206	Y	E	0.0000	Buried
207	E	E	-3.8425	Soluble
208	K	E	-3.9176	Soluble
209	H	E	-3.1953	Soluble
210	K	E	-3.1640	Soluble
211	V	E	-1.5659	Soluble
212	Y	E	0.0000	Buried
213	A	E	0.0000	Buried
214	C	E	0.0000	Buried
215	E	E	0.0000	Buried
216	V	E	0.0000	Buried
217	T	E	-0.9630	Soluble
218	H	E	0.0000	Buried
219	Q	E	-1.7614	Soluble
220	G	E	-0.7692	Soluble
221	L	E	-0.2998	Soluble
222	S	E	-0.4790	Soluble
223	S	E	-0.1045	Soluble
224	P	E	0.4216	Aggregation-prone
225	V	E	1.2984	Aggregation-prone
226	T	E	0.2594	Aggregation-prone
227	K	E	-0.0474	Soluble
228	S	E	-0.0022	Soluble
229	F	E	-0.7810	Soluble
230	N	E	-1.8331	Soluble
231	R	E	-2.3956	Soluble
232	G	E	-1.8305	Soluble
233	E	E	-2.0697	Soluble
234	C	E	-0.8555	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	-0.9141	1.679	CSV PDB
4.5	-0.9623	1.5899	CSV PDB
5.0	-1.019	1.45	CSV PDB
5.5	-1.0722	1.3137	CSV PDB
6.0	-1.1093	1.3137	CSV PDB
6.5	-1.1218	1.3137	CSV PDB
7.0	-1.1106	1.3137	CSV PDB
7.5	-1.0845	1.3137	CSV PDB
8.0	-1.0505	1.318	CSV PDB
8.5	-1.0111	1.4149	CSV PDB
9.0	-0.9658	1.5092	CSV PDB