Motavizumab / 3qwo

Calculation Parameters

Chain Sequence(s)	`QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR` input.pdb
Selected Chain(s)	H (Heavy), L (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 -3.5844

Maximum Score 2.5841

Average Score -0.6755

Total Score -290.4755

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	H	-1.2562	Soluble
2	V	H	-0.6264	Soluble
3	T	H	-0.8383	Soluble
4	L	H	0.0000	Buried
5	R	H	-1.9790	Soluble
6	E	H	0.0000	Buried
7	S	H	-0.5844	Soluble
8	G	H	-0.2503	Soluble
9	P	H	-0.3623	Soluble
11	A	H	-0.4232	Soluble
12	L	H	-0.1854	Soluble
13	V	H	0.0000	Buried
14	K	H	-1.7136	Soluble
15	P	H	-1.7129	Soluble
16	T	H	-1.7702	Soluble
17	Q	H	-1.9904	Soluble
18	T	H	-1.5220	Soluble
19	L	H	0.0000	Buried
20	T	H	-0.5492	Soluble
21	L	H	0.0000	Buried
22	T	H	-0.4674	Soluble
23	C	H	0.0000	Buried
24	T	H	-1.1529	Soluble
25	F	H	0.0000	Buried
26	S	H	-1.0641	Soluble
27	G	H	-0.8788	Soluble
28	F	H	-0.3661	Soluble
29	S	H	-0.4428	Soluble
30	L	H	0.0000	Buried
31	S	H	-0.5475	Soluble
34	T	H	-0.0872	Soluble
35	A	H	0.1451	Aggregation-prone
36	G	H	0.0000	Buried
37	M	H	0.0000	Buried
38	S	H	0.0000	Buried
39	V	H	0.0000	Buried
40	G	H	0.0000	Buried
41	W	H	0.0000	Buried
42	I	H	0.0000	Buried
43	R	H	0.0000	Buried
44	Q	H	-0.8691	Soluble
45	P	H	-0.9790	Soluble
46	P	H	-1.0615	Soluble
47	G	H	-1.4511	Soluble
48	K	H	-2.1804	Soluble
49	A	H	-1.2536	Soluble
50	L	H	0.0000	Buried
51	E	H	-0.7463	Soluble
52	W	H	0.0000	Buried
53	L	H	0.0000	Buried
54	A	H	0.0000	Buried
55	D	H	0.0000	Buried
56	I	H	0.0000	Buried
57	W	H	0.0000	Buried
58	W	H	-0.8619	Soluble
59	D	H	-1.9307	Soluble
63	D	H	-2.9103	Soluble
64	K	H	-3.0282	Soluble
65	K	H	-2.0512	Soluble
66	H	H	-0.6939	Soluble
67	Y	H	-0.4092	Soluble
68	N	H	0.0000	Buried
69	P	H	-1.3482	Soluble
70	S	H	-1.0746	Soluble
71	L	H	0.0000	Buried
72	K	H	-2.7171	Soluble
74	D	H	-2.7511	Soluble
75	R	H	-2.1224	Soluble
76	L	H	0.0000	Buried
77	T	H	-0.7593	Soluble
78	I	H	0.0000	Buried
79	S	H	-1.0536	Soluble
80	K	H	-1.2459	Soluble
81	D	H	-1.5096	Soluble
82	T	H	-1.2447	Soluble
83	S	H	-1.4544	Soluble
84	K	H	-2.3090	Soluble
85	N	H	-1.6708	Soluble
86	Q	H	-1.5000	Soluble
87	V	H	0.0000	Buried
88	V	H	-0.1710	Soluble
89	L	H	0.0000	Buried
90	K	H	-0.9964	Soluble
91	V	H	0.0000	Buried
92	T	H	-1.8684	Soluble
93	N	H	-2.1872	Soluble
94	M	H	0.0000	Buried
95	D	H	-2.1049	Soluble
96	P	H	-1.0621	Soluble
97	A	H	-0.5406	Soluble
98	D	H	0.0000	Buried
99	T	H	-0.3966	Soluble
100	A	H	0.0000	Buried
101	T	H	-0.2659	Soluble
102	Y	H	0.0000	Buried
103	Y	H	0.0000	Buried
104	C	H	0.0000	Buried
105	A	H	0.0000	Buried
106	R	H	0.0000	Buried
107	D	H	0.0000	Buried
108	M	H	1.4430	Aggregation-prone
109	I	H	2.3554	Aggregation-prone
110	F	H	2.5841	Aggregation-prone
112	N	H	1.2437	Aggregation-prone
113	F	H	1.1565	Aggregation-prone
114	Y	H	0.0000	Buried
115	F	H	0.0000	Buried
116	D	H	-0.3573	Soluble
117	V	H	-0.2734	Soluble
118	W	H	0.0000	Buried
119	G	H	0.0000	Buried
120	Q	H	-2.0106	Soluble
121	G	H	0.0000	Buried
122	T	H	-0.6260	Soluble
123	T	H	-0.3461	Soluble
124	V	H	0.0000	Buried
125	T	H	-0.4311	Soluble
126	V	H	0.0000	Buried
127	S	H	-0.7273	Soluble
128	S	H	-0.5777	Soluble
129	A	H	-0.4599	Soluble
130	S	H	-0.6525	Soluble
131	T	H	-0.8258	Soluble
132	K	H	-1.6529	Soluble
133	G	H	-1.6729	Soluble
134	P	H	-0.8285	Soluble
135	S	H	-0.3908	Soluble
136	V	H	0.0000	Buried
137	F	H	0.0000	Buried
138	P	H	-1.1814	Soluble
139	L	H	0.0000	Buried
140	A	H	-0.9003	Soluble
141	P	H	0.0000	Buried
142	S	H	-0.8832	Soluble
143	S	H	-0.8519	Soluble
144	K	H	-1.3534	Soluble
145	S	H	0.0000	Buried
146	T	H	-0.7677	Soluble
147	S	H	-0.7258	Soluble
148	G	H	-0.8655	Soluble
149	G	H	-0.9189	Soluble
150	T	H	-0.5856	Soluble
151	A	H	0.0000	Buried
152	A	H	0.0000	Buried
153	L	H	0.0000	Buried
154	G	H	0.0000	Buried
155	C	H	0.0000	Buried
156	L	H	0.0000	Buried
157	V	H	0.0000	Buried
158	K	H	0.0000	Buried
159	D	H	-0.7653	Soluble
160	Y	H	0.0000	Buried
161	F	H	0.0000	Buried
162	P	H	0.0000	Buried
163	E	H	-0.6122	Soluble
164	P	H	-0.7038	Soluble
165	V	H	-0.5254	Soluble
166	T	H	-0.6432	Soluble
167	V	H	-0.2343	Soluble
168	S	H	-0.4479	Soluble
169	W	H	0.0000	Buried
170	N	H	-0.7665	Soluble
171	S	H	-0.6760	Soluble
172	G	H	-0.5392	Soluble
173	A	H	-0.2490	Soluble
174	L	H	-0.0167	Soluble
175	T	H	-0.1876	Soluble
176	S	H	-0.1992	Soluble
177	G	H	-0.2388	Soluble
178	V	H	0.1659	Aggregation-prone
179	H	H	-0.1895	Soluble
180	T	H	0.0972	Aggregation-prone
181	F	H	0.0000	Buried
182	P	H	-0.0787	Soluble
183	A	H	0.3704	Aggregation-prone
184	V	H	0.7066	Aggregation-prone
185	L	H	1.2036	Aggregation-prone
186	Q	H	0.2522	Aggregation-prone
187	S	H	-0.0750	Soluble
188	S	H	-0.2775	Soluble
189	G	H	-0.0302	Soluble
190	L	H	-0.0248	Soluble
191	Y	H	0.3619	Aggregation-prone
192	S	H	0.0000	Buried
193	L	H	0.0000	Buried
194	S	H	0.0000	Buried
195	S	H	0.0000	Buried
196	V	H	0.0000	Buried
197	V	H	0.0000	Buried
198	T	H	-0.1865	Soluble
199	V	H	0.0000	Buried
200	P	H	-0.5621	Soluble
201	S	H	-0.5327	Soluble
202	S	H	-0.5176	Soluble
203	S	H	-0.4781	Soluble
204	L	H	-0.6806	Soluble
205	G	H	-0.8927	Soluble
206	T	H	-0.6044	Soluble
207	Q	H	-1.0182	Soluble
208	T	H	-1.0086	Soluble
209	Y	H	0.0000	Buried
210	I	H	-1.2878	Soluble
211	C	H	0.0000	Buried
212	N	H	-1.5615	Soluble
213	V	H	0.0000	Buried
214	N	H	-2.1358	Soluble
215	H	H	0.0000	Buried
216	K	H	-2.8239	Soluble
217	P	H	-1.6583	Soluble
218	S	H	-1.9713	Soluble
219	N	H	-2.6591	Soluble
220	T	H	-2.2041	Soluble
221	K	H	-2.8135	Soluble
222	V	H	-1.6201	Soluble
223	D	H	-2.4856	Soluble
224	K	H	-2.1428	Soluble
225	K	H	-2.4287	Soluble
226	V	H	0.0000	Buried
227	E	H	-2.4142	Soluble
228	P	H	-1.1886	Soluble
1	D	L	-1.9571	Soluble
2	I	L	-1.5412	Soluble
3	Q	L	-1.6891	Soluble
4	M	L	0.0000	Buried
5	T	L	-0.7583	Soluble
6	Q	L	0.0000	Buried
7	S	L	-0.5316	Soluble
8	P	L	-0.5281	Soluble
9	S	L	-0.6758	Soluble
10	T	L	-0.6033	Soluble
11	L	L	-0.4725	Soluble
12	S	L	-0.6721	Soluble
13	A	L	-0.9205	Soluble
14	S	L	-0.9031	Soluble
15	V	L	-0.2683	Soluble
16	G	L	-0.8980	Soluble
17	D	L	-1.8361	Soluble
18	R	L	-2.3598	Soluble
19	V	L	0.0000	Buried
20	T	L	-0.6135	Soluble
21	I	L	0.0000	Buried
22	T	L	-0.5735	Soluble
23	C	L	0.0000	Buried
24	S	L	-1.2971	Soluble
25	A	L	0.0000	Buried
26	S	L	-1.4767	Soluble
27	S	L	-1.7673	Soluble
28	R	L	-2.2552	Soluble
29	V	L	0.0000	Buried
37	G	L	-0.6152	Soluble
38	Y	L	0.2843	Aggregation-prone
39	M	L	0.0000	Buried
40	H	L	0.0000	Buried
41	W	L	0.0000	Buried
42	Y	L	0.0000	Buried
43	Q	L	-0.8668	Soluble
44	Q	L	-1.2164	Soluble
45	K	L	-1.5841	Soluble
46	P	L	-1.3643	Soluble
47	G	L	-1.7373	Soluble
48	K	L	-2.4964	Soluble
49	A	L	-1.6518	Soluble
50	P	L	0.0000	Buried
51	K	L	-1.3762	Soluble
52	L	L	0.0000	Buried
53	L	L	0.0000	Buried
54	I	L	0.0000	Buried
55	Y	L	-0.4270	Soluble
56	D	L	-0.5632	Soluble
57	T	L	0.0000	Buried
65	S	L	-1.0203	Soluble
66	K	L	-1.6490	Soluble
67	L	L	-0.5158	Soluble
68	A	L	0.0000	Buried
69	S	L	-0.5878	Soluble
70	G	L	-0.4414	Soluble
71	V	L	-0.4200	Soluble
72	P	L	-0.3267	Soluble
74	S	L	-0.4179	Soluble
75	R	L	-0.8067	Soluble
76	F	L	0.0000	Buried
77	S	L	-0.6064	Soluble
78	G	L	-0.6720	Soluble
79	S	L	-0.8910	Soluble
80	G	L	-0.9576	Soluble
83	S	L	-1.1295	Soluble
84	G	L	-1.4762	Soluble
85	T	L	-1.7019	Soluble
86	E	L	-2.1677	Soluble
87	F	L	0.0000	Buried
88	T	L	-0.6579	Soluble
89	L	L	0.0000	Buried
90	T	L	-0.6302	Soluble
91	I	L	0.0000	Buried
92	S	L	-1.3460	Soluble
93	S	L	-1.1855	Soluble
94	L	L	0.0000	Buried
95	Q	L	-1.2104	Soluble
96	P	L	-1.5661	Soluble
97	D	L	-1.6477	Soluble
98	D	L	0.0000	Buried
99	F	L	0.0000	Buried
100	A	L	0.0000	Buried
101	T	L	-0.6807	Soluble
102	Y	L	0.0000	Buried
103	Y	L	0.0000	Buried
104	C	L	0.0000	Buried
105	F	L	0.0000	Buried
106	Q	L	0.0000	Buried
107	G	L	0.0000	Buried
108	S	L	-0.1977	Soluble
109	G	L	-0.2742	Soluble
114	Y	L	0.0154	Aggregation-prone
115	P	L	0.0000	Buried
116	F	L	0.0000	Buried
117	T	L	-0.6267	Soluble
118	F	L	0.0000	Buried
119	G	L	0.0000	Buried
120	G	L	-1.1309	Soluble
121	G	L	0.0000	Buried
122	T	L	0.0000	Buried
123	K	L	-1.2227	Soluble
124	V	L	0.0000	Buried
125	E	L	-0.9020	Soluble
126	I	L	0.0000	Buried
127	K	L	-1.1699	Soluble
128	R	L	-0.8577	Soluble
129	T	L	-0.0794	Soluble
130	V	L	0.4003	Aggregation-prone
131	A	L	0.1247	Aggregation-prone
132	A	L	-0.1134	Soluble
133	P	L	0.0000	Buried
134	S	L	-0.1597	Soluble
135	V	L	0.0000	Buried
136	F	L	0.0000	Buried
137	I	L	0.0000	Buried
138	F	L	0.0000	Buried
139	P	L	-0.9174	Soluble
140	P	L	0.0000	Buried
141	S	L	-1.6222	Soluble
142	D	L	-2.9661	Soluble
143	E	L	-2.9886	Soluble
144	Q	L	0.0000	Buried
145	L	L	-2.2141	Soluble
146	K	L	-2.7765	Soluble
147	S	L	-1.7186	Soluble
148	G	L	-1.4494	Soluble
149	T	L	-1.2025	Soluble
150	A	L	0.0000	Buried
151	S	L	0.0000	Buried
152	V	L	0.0000	Buried
153	V	L	0.0000	Buried
154	C	L	0.0000	Buried
155	L	L	0.0000	Buried
156	L	L	0.0000	Buried
157	N	L	0.0000	Buried
158	N	L	-0.9500	Soluble
159	F	L	0.0000	Buried
160	Y	L	0.0000	Buried
161	P	L	-1.5612	Soluble
162	R	L	-2.4410	Soluble
163	E	L	-3.0723	Soluble
164	A	L	-2.2431	Soluble
165	K	L	-2.2641	Soluble
166	V	L	-1.0937	Soluble
167	Q	L	-0.6749	Soluble
168	W	L	0.0000	Buried
169	K	L	-0.5786	Soluble
170	V	L	0.0000	Buried
171	D	L	-1.7975	Soluble
172	N	L	-1.4648	Soluble
173	A	L	-0.2485	Soluble
174	L	L	0.6525	Aggregation-prone
175	Q	L	-0.3545	Soluble
176	S	L	-0.7410	Soluble
177	G	L	-1.2382	Soluble
178	N	L	-1.4928	Soluble
179	S	L	-1.3596	Soluble
180	Q	L	-1.2914	Soluble
181	E	L	-1.3505	Soluble
182	S	L	-0.4231	Soluble
183	V	L	0.0789	Aggregation-prone
184	T	L	0.0000	Buried
185	E	L	-1.6901	Soluble
186	Q	L	0.0000	Buried
187	D	L	-1.9077	Soluble
188	S	L	-1.9947	Soluble
189	K	L	-2.5989	Soluble
190	D	L	-2.1887	Soluble
191	S	L	0.0000	Buried
192	T	L	0.0000	Buried
193	Y	L	0.0000	Buried
194	S	L	0.0000	Buried
195	L	L	-0.2124	Soluble
196	S	L	0.0000	Buried
197	S	L	0.0000	Buried
198	T	L	-0.6737	Soluble
199	L	L	0.0000	Buried
200	T	L	-0.5930	Soluble
201	L	L	-0.7438	Soluble
202	S	L	-0.9315	Soluble
203	K	L	-1.9362	Soluble
204	A	L	-1.6791	Soluble
205	D	L	-2.2505	Soluble
206	Y	L	0.0000	Buried
207	E	L	-3.4618	Soluble
208	K	L	-3.5844	Soluble
209	H	L	-3.0927	Soluble
210	K	L	-3.5390	Soluble
211	V	L	-1.8761	Soluble
212	Y	L	0.0000	Buried
213	A	L	-0.8230	Soluble
214	C	L	0.0000	Buried
215	E	L	-0.6776	Soluble
216	V	L	0.0000	Buried
217	T	L	-1.2239	Soluble
218	H	L	0.0000	Buried
219	Q	L	-1.7054	Soluble
220	G	L	-0.4421	Soluble
221	L	L	-0.2502	Soluble
222	S	L	-0.4666	Soluble
223	S	L	-0.4549	Soluble
224	P	L	-0.6030	Soluble
225	V	L	-0.0646	Soluble
226	T	L	-0.4515	Soluble
227	K	L	-0.7749	Soluble
228	S	L	-0.9501	Soluble
229	F	L	0.0000	Buried
230	N	L	-2.6190	Soluble
231	R	L	-3.4414	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	-0.7321	5.2741	CSV PDB
4.5	-0.771	5.2741	CSV PDB
5.0	-0.8148	5.2741	CSV PDB
5.5	-0.8545	5.2741	CSV PDB
6.0	-0.8797	5.2741	CSV PDB
6.5	-0.8815	5.2741	CSV PDB
7.0	-0.8601	5.2741	CSV PDB
7.5	-0.8233	5.2741	CSV PDB
8.0	-0.7779	5.2741	CSV PDB
8.5	-0.7256	5.2741	CSV PDB
9.0	-0.6662	5.2741	CSV PDB