Solanezumab / 4xxd

Calculation Parameters

Chain Sequence(s)	`VQLVESGGGLVQPGGSLRLSCAASGFTFSRYSMSWVRQAPGKGLELVAQINSVGSSTYYPDTVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCASGDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDVVMTQSPLSLPVTLGQPASISCRSSQSLIYSDGNAYLHWFLQKPGQSPRLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG` input.pdb
Selected Chain(s)	E (Heavy), D (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 -3.3891

Maximum Score 1.2517

Average Score -0.6546

Total Score -276.9145

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

Classification:

Index	Residue	Chain	A4D Score	Classification
2	V	E	1.2425	Aggregation-prone
3	Q	E	-0.1543	Soluble
4	L	E	0.0000	Buried
5	V	E	0.1432	Aggregation-prone
6	E	E	0.0000	Buried
7	S	E	-0.5606	Soluble
8	G	E	-0.9250	Soluble
9	G	E	-0.3905	Soluble
11	G	E	0.2091	Aggregation-prone
12	L	E	0.3514	Aggregation-prone
13	V	E	-0.4148	Soluble
14	Q	E	-1.4942	Soluble
15	P	E	-1.4183	Soluble
16	G	E	-1.4263	Soluble
17	G	E	-1.0506	Soluble
18	S	E	-1.1360	Soluble
19	L	E	-1.0081	Soluble
20	R	E	-2.0556	Soluble
21	L	E	0.0000	Buried
22	S	E	-0.5098	Soluble
23	C	E	0.0000	Buried
24	A	E	-0.2999	Soluble
25	A	E	0.0000	Buried
26	S	E	-0.2634	Soluble
27	G	E	-0.0702	Soluble
28	F	E	0.1661	Aggregation-prone
29	T	E	-0.3018	Soluble
30	F	E	0.0000	Buried
35	S	E	-0.7019	Soluble
36	R	E	-1.0886	Soluble
37	Y	E	0.4323	Aggregation-prone
38	S	E	0.0983	Aggregation-prone
39	M	E	0.0000	Buried
40	S	E	0.0000	Buried
41	W	E	0.0000	Buried
42	V	E	0.0000	Buried
43	R	E	0.0000	Buried
44	Q	E	-0.8526	Soluble
45	A	E	-1.1698	Soluble
46	P	E	-0.9861	Soluble
47	G	E	-1.4673	Soluble
48	K	E	-2.4298	Soluble
49	G	E	-1.6606	Soluble
50	L	E	0.0000	Buried
51	E	E	-1.4915	Soluble
52	L	E	0.0000	Buried
53	V	E	0.0000	Buried
54	A	E	0.0000	Buried
55	Q	E	0.1327	Aggregation-prone
56	I	E	0.0000	Buried
57	N	E	0.0473	Aggregation-prone
58	S	E	0.2095	Aggregation-prone
59	V	E	1.0646	Aggregation-prone
62	G	E	0.0986	Aggregation-prone
63	S	E	-0.0213	Soluble
64	S	E	-0.0171	Soluble
65	T	E	0.0138	Aggregation-prone
66	Y	E	0.1876	Aggregation-prone
67	Y	E	-0.6766	Soluble
68	P	E	-1.6217	Soluble
69	D	E	-2.4424	Soluble
70	T	E	-1.6431	Soluble
71	V	E	0.0000	Buried
72	K	E	-2.5440	Soluble
74	G	E	-1.7576	Soluble
75	R	E	-1.4942	Soluble
76	F	E	0.0000	Buried
77	T	E	-0.8003	Soluble
78	I	E	0.0000	Buried
79	S	E	-0.2493	Soluble
80	R	E	-0.6569	Soluble
81	D	E	-1.2084	Soluble
82	N	E	-1.2540	Soluble
83	A	E	-1.2366	Soluble
84	K	E	-2.1622	Soluble
85	N	E	-1.5245	Soluble
86	T	E	-0.9185	Soluble
87	L	E	0.0000	Buried
88	Y	E	-0.5122	Soluble
89	L	E	0.0000	Buried
90	Q	E	-1.1994	Soluble
91	M	E	0.0000	Buried
92	N	E	-1.4678	Soluble
93	S	E	-1.2699	Soluble
94	L	E	0.0000	Buried
95	R	E	-2.2295	Soluble
96	A	E	-1.6630	Soluble
97	E	E	-2.1851	Soluble
98	D	E	0.0000	Buried
99	T	E	-0.5954	Soluble
100	A	E	0.0000	Buried
101	V	E	0.4033	Aggregation-prone
102	Y	E	0.0000	Buried
103	Y	E	0.0000	Buried
104	C	E	0.0000	Buried
105	A	E	0.0000	Buried
106	S	E	0.0506	Aggregation-prone
107	G	E	-0.4761	Soluble
116	D	E	-0.9994	Soluble
117	Y	E	-0.1944	Soluble
118	W	E	-0.4353	Soluble
119	G	E	0.0000	Buried
120	Q	E	-1.2750	Soluble
121	G	E	0.0000	Buried
122	T	E	-0.0201	Soluble
123	L	E	0.4149	Aggregation-prone
124	V	E	0.0000	Buried
125	T	E	0.0000	Buried
126	V	E	0.0000	Buried
127	S	E	-0.6779	Soluble
128	S	E	-0.6738	Soluble
129	A	E	-0.4691	Soluble
130	S	E	-0.6177	Soluble
131	T	E	-0.8584	Soluble
132	K	E	-1.5080	Soluble
133	G	E	-1.5926	Soluble
134	P	E	0.0000	Buried
135	S	E	-0.4368	Soluble
136	V	E	0.0000	Buried
137	F	E	-0.5933	Soluble
138	P	E	-0.9969	Soluble
139	L	E	0.0000	Buried
140	A	E	-1.1534	Soluble
141	P	E	0.0000	Buried
142	S	E	-0.7024	Soluble
143	G	E	-0.6727	Soluble
144	T	E	-0.5274	Soluble
145	A	E	-0.2422	Soluble
146	A	E	0.0000	Buried
147	L	E	0.0000	Buried
148	G	E	0.0000	Buried
149	C	E	0.0000	Buried
150	L	E	0.0000	Buried
151	V	E	0.0000	Buried
152	K	E	-0.3475	Soluble
153	D	E	-0.7129	Soluble
154	Y	E	0.0000	Buried
155	F	E	0.0000	Buried
156	P	E	0.0000	Buried
157	E	E	-0.2851	Soluble
158	P	E	-0.7275	Soluble
159	V	E	-0.7566	Soluble
160	T	E	-0.7209	Soluble
161	V	E	-0.3270	Soluble
162	S	E	-0.4494	Soluble
163	W	E	0.0000	Buried
164	N	E	-0.7382	Soluble
165	S	E	-0.6550	Soluble
166	G	E	-0.4284	Soluble
167	A	E	-0.2126	Soluble
168	L	E	-0.0317	Soluble
169	T	E	-0.1624	Soluble
170	S	E	-0.1824	Soluble
171	G	E	-0.2024	Soluble
172	V	E	0.1639	Aggregation-prone
173	H	E	-0.3482	Soluble
174	T	E	-0.1859	Soluble
175	F	E	0.0000	Buried
176	P	E	-0.2620	Soluble
177	A	E	0.2523	Aggregation-prone
178	V	E	0.5130	Aggregation-prone
179	L	E	0.9521	Aggregation-prone
180	Q	E	0.1440	Aggregation-prone
181	S	E	-0.1165	Soluble
182	S	E	-0.2850	Soluble
183	G	E	-0.0372	Soluble
184	L	E	-0.0516	Soluble
185	Y	E	0.2789	Aggregation-prone
186	S	E	0.0000	Buried
187	L	E	0.0000	Buried
188	S	E	0.0000	Buried
189	S	E	0.0000	Buried
190	V	E	0.0000	Buried
191	V	E	0.0000	Buried
192	T	E	-0.1393	Soluble
193	V	E	0.0000	Buried
194	P	E	-0.5385	Soluble
195	S	E	-0.5476	Soluble
196	S	E	-0.6378	Soluble
197	S	E	-0.6829	Soluble
198	L	E	-0.6696	Soluble
199	G	E	-1.0313	Soluble
200	T	E	-0.8373	Soluble
201	Q	E	-1.3548	Soluble
202	T	E	-1.2184	Soluble
203	Y	E	0.0000	Buried
204	I	E	-1.3035	Soluble
205	C	E	0.0000	Buried
206	N	E	-1.6250	Soluble
207	V	E	0.0000	Buried
208	N	E	-2.1952	Soluble
209	H	E	0.0000	Buried
210	K	E	-2.7818	Soluble
211	P	E	-1.6053	Soluble
212	S	E	-1.9268	Soluble
213	N	E	-2.6726	Soluble
214	T	E	-2.1486	Soluble
215	K	E	-2.7965	Soluble
216	V	E	-1.6877	Soluble
217	D	E	-2.6524	Soluble
218	K	E	-2.2011	Soluble
219	K	E	-2.6116	Soluble
220	V	E	0.0000	Buried
221	E	E	-2.7723	Soluble
222	P	E	-1.8468	Soluble
223	K	E	-2.2612	Soluble
1	D	D	-1.2191	Soluble
2	V	D	0.0000	Buried
3	V	D	0.6559	Aggregation-prone
4	M	D	0.0000	Buried
5	T	D	-0.6304	Soluble
6	Q	D	0.0000	Buried
7	S	D	-0.2178	Soluble
8	P	D	0.2615	Aggregation-prone
9	L	D	1.0233	Aggregation-prone
10	S	D	0.3713	Aggregation-prone
11	L	D	0.0626	Aggregation-prone
12	P	D	-0.3129	Soluble
13	V	D	0.0000	Buried
14	T	D	-1.0291	Soluble
15	L	D	-0.6909	Soluble
16	G	D	-1.7103	Soluble
17	Q	D	-2.0880	Soluble
18	P	D	-1.8146	Soluble
19	A	D	0.0000	Buried
20	S	D	-0.8149	Soluble
21	I	D	0.0000	Buried
22	S	D	-0.9381	Soluble
23	C	D	0.0000	Buried
24	R	D	-2.3312	Soluble
25	S	D	0.0000	Buried
26	S	D	-1.1425	Soluble
27	Q	D	-1.4569	Soluble
28	S	D	-0.5017	Soluble
29	L	D	0.0000	Buried
30	I	D	1.0629	Aggregation-prone
31	Y	D	0.6646	Aggregation-prone
32	S	D	-0.5304	Soluble
34	D	D	-1.6805	Soluble
35	G	D	-0.6820	Soluble
36	N	D	-0.5108	Soluble
37	A	D	0.1086	Aggregation-prone
38	Y	D	0.2920	Aggregation-prone
39	L	D	0.0000	Buried
40	H	D	-0.4072	Soluble
41	W	D	0.0000	Buried
42	F	D	0.0000	Buried
43	L	D	0.0000	Buried
44	Q	D	-1.2411	Soluble
45	K	D	-1.6527	Soluble
46	P	D	-1.6748	Soluble
47	G	D	-1.5263	Soluble
48	Q	D	-2.1276	Soluble
49	S	D	-1.5200	Soluble
50	P	D	0.0000	Buried
51	R	D	-2.0803	Soluble
52	L	D	0.0000	Buried
53	L	D	0.0000	Buried
54	I	D	0.0000	Buried
55	Y	D	-0.4948	Soluble
56	K	D	-0.8693	Soluble
57	V	D	-0.6294	Soluble
65	S	D	-0.8778	Soluble
66	N	D	-1.2931	Soluble
67	R	D	-1.7798	Soluble
68	F	D	-0.8248	Soluble
69	S	D	-0.4592	Soluble
70	G	D	-0.7661	Soluble
71	V	D	-0.9706	Soluble
72	P	D	-1.2418	Soluble
74	D	D	-2.1713	Soluble
75	R	D	-1.9441	Soluble
76	F	D	0.0000	Buried
77	S	D	-1.3485	Soluble
78	G	D	0.0000	Buried
79	S	D	-0.8546	Soluble
80	G	D	-1.0064	Soluble
83	S	D	-0.8693	Soluble
84	G	D	-0.9693	Soluble
85	T	D	-1.6285	Soluble
86	D	D	-2.1802	Soluble
87	F	D	0.0000	Buried
88	T	D	-1.0893	Soluble
89	L	D	0.0000	Buried
90	K	D	-1.7719	Soluble
91	I	D	0.0000	Buried
92	S	D	-2.2610	Soluble
93	R	D	-2.9764	Soluble
94	V	D	0.0000	Buried
95	E	D	-2.6543	Soluble
96	A	D	-2.2090	Soluble
97	E	D	-2.6465	Soluble
98	D	D	0.0000	Buried
99	V	D	0.0000	Buried
100	G	D	0.0000	Buried
101	V	D	-0.0891	Soluble
102	Y	D	0.0000	Buried
103	Y	D	0.0000	Buried
104	C	D	0.0000	Buried
105	S	D	0.0000	Buried
106	Q	D	0.0000	Buried
107	S	D	0.2637	Aggregation-prone
108	T	D	0.6937	Aggregation-prone
109	H	D	0.3511	Aggregation-prone
114	V	D	1.2517	Aggregation-prone
115	P	D	0.0000	Buried
116	W	D	0.0000	Buried
117	T	D	0.0157	Aggregation-prone
118	F	D	-0.0175	Soluble
119	G	D	0.0000	Buried
120	Q	D	-1.0996	Soluble
121	G	D	0.0000	Buried
122	T	D	0.0000	Buried
123	K	D	-0.3158	Soluble
124	V	D	0.0000	Buried
125	E	D	0.0000	Buried
126	I	D	0.0000	Buried
127	K	D	-0.9987	Soluble
128	R	D	-0.7031	Soluble
129	T	D	0.0019	Aggregation-prone
130	V	D	0.6386	Aggregation-prone
131	A	D	0.0896	Aggregation-prone
132	A	D	-0.0812	Soluble
133	P	D	0.0000	Buried
134	S	D	-0.2307	Soluble
135	V	D	0.0000	Buried
136	F	D	0.1199	Aggregation-prone
137	I	D	0.1030	Aggregation-prone
138	F	D	0.0000	Buried
139	P	D	-0.6245	Soluble
140	P	D	0.0000	Buried
141	S	D	-1.5408	Soluble
142	D	D	-2.6313	Soluble
143	E	D	-2.3198	Soluble
144	Q	D	0.0000	Buried
145	L	D	-2.1224	Soluble
146	K	D	-2.6160	Soluble
147	S	D	-1.6758	Soluble
148	G	D	-1.0723	Soluble
149	T	D	-0.8276	Soluble
150	A	D	0.0000	Buried
151	S	D	0.0000	Buried
152	V	D	0.0000	Buried
153	V	D	0.0000	Buried
154	C	D	0.0000	Buried
155	L	D	0.0000	Buried
156	L	D	0.0000	Buried
157	N	D	0.0000	Buried
158	N	D	-0.8567	Soluble
159	F	D	0.0000	Buried
160	Y	D	0.0000	Buried
161	P	D	-1.2589	Soluble
162	R	D	-2.0620	Soluble
163	E	D	-2.6446	Soluble
164	A	D	-1.9291	Soluble
165	K	D	-1.9663	Soluble
166	V	D	-1.0206	Soluble
167	Q	D	-0.7492	Soluble
168	W	D	0.0000	Buried
169	K	D	-0.7206	Soluble
170	V	D	0.0000	Buried
171	D	D	-1.7307	Soluble
172	N	D	-1.4749	Soluble
173	A	D	-0.3173	Soluble
174	L	D	0.3306	Aggregation-prone
175	Q	D	-0.4863	Soluble
176	S	D	-0.7585	Soluble
177	G	D	-1.2513	Soluble
178	N	D	-1.5589	Soluble
179	S	D	-1.4239	Soluble
180	Q	D	-1.3337	Soluble
181	E	D	-1.3725	Soluble
182	S	D	-0.6163	Soluble
183	V	D	-0.5311	Soluble
184	T	D	-0.9399	Soluble
185	E	D	-2.2056	Soluble
186	Q	D	-1.8862	Soluble
187	D	D	-2.2665	Soluble
188	S	D	-2.4140	Soluble
189	K	D	-2.6088	Soluble
190	D	D	-1.9723	Soluble
191	S	D	0.0000	Buried
192	T	D	0.0000	Buried
193	Y	D	0.0000	Buried
194	S	D	0.0000	Buried
195	L	D	0.0000	Buried
196	S	D	0.0000	Buried
197	S	D	0.0000	Buried
198	T	D	-0.7003	Soluble
199	L	D	0.0000	Buried
200	T	D	-0.4965	Soluble
201	L	D	-0.6693	Soluble
202	S	D	-0.9476	Soluble
203	K	D	-2.0256	Soluble
204	A	D	-1.6654	Soluble
205	D	D	-2.1815	Soluble
206	Y	D	0.0000	Buried
207	E	D	-3.2888	Soluble
208	K	D	-3.3891	Soluble
209	H	D	-2.9011	Soluble
210	K	D	-3.2095	Soluble
211	V	D	-1.5278	Soluble
212	Y	D	0.0000	Buried
213	A	D	0.0000	Buried
214	C	D	0.0000	Buried
215	E	D	-0.7942	Soluble
216	V	D	0.0000	Buried
217	T	D	-1.1286	Soluble
218	H	D	0.0000	Buried
219	Q	D	-1.5684	Soluble
220	G	D	-0.3840	Soluble
221	L	D	-0.2377	Soluble
222	S	D	-0.4443	Soluble
223	S	D	-0.4343	Soluble
224	P	D	-0.4872	Soluble
225	V	D	-0.0717	Soluble
226	T	D	-0.5323	Soluble
227	K	D	-0.7914	Soluble
228	S	D	-0.6890	Soluble
229	F	D	-1.0100	Soluble
230	N	D	-2.1671	Soluble
231	R	D	-2.2782	Soluble
232	G	D	-1.4097	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	-0.7032	1.8309	CSV PDB
4.5	-0.7451	1.7716	CSV PDB
5.0	-0.7928	1.6893	CSV PDB
5.5	-0.8375	1.5986	CSV PDB
6.0	-0.8691	1.5251	CSV PDB
6.5	-0.8795	1.4944	CSV PDB
7.0	-0.8688	1.5492	CSV PDB
7.5	-0.8438	1.6322	CSV PDB
8.0	-0.8107	1.7189	CSV PDB
8.5	-0.771	1.8057	CSV PDB
9.0	-0.7245	1.8894	CSV PDB