Ibalizumab / 7t0r

Calculation Parameters

Chain Sequence(s)	`QVQLQQSGPEVVKPGASVKMSCKASGYTFTSYVIHWVRQKPGQGLDWIGYINPYNDGTDYDEKFKGKATLTSDTSTSTAYMELSSLRSEDTAVYYCAREKDNYATGAWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIVMTQSPDSLAVSLGERVTMNCKSSQSLLYSTNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCQQYYSYRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFN` 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 -3.6835

Maximum Score 1.0277

Average Score -0.7673

Total Score -335.3173

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	Q	C	-1.3525	Soluble
2	V	C	-0.6232	Soluble
3	Q	C	-1.5548	Soluble
4	L	C	0.0000	Buried
5	Q	C	-2.2463	Soluble
6	Q	C	-1.5434	Soluble
7	S	C	-1.2500	Soluble
8	G	C	-1.1192	Soluble
9	P	C	-0.9870	Soluble
11	E	C	-1.4666	Soluble
12	V	C	-0.6426	Soluble
13	V	C	0.0000	Buried
14	K	C	-2.0526	Soluble
15	P	C	-1.6346	Soluble
16	G	C	-1.3625	Soluble
17	A	C	-1.0437	Soluble
18	S	C	-1.2930	Soluble
19	V	C	0.0000	Buried
20	K	C	-1.8916	Soluble
21	M	C	0.0000	Buried
22	S	C	-0.9063	Soluble
23	C	C	0.0000	Buried
24	K	C	-1.8327	Soluble
25	A	C	0.0000	Buried
26	S	C	-1.1376	Soluble
27	G	C	-0.8467	Soluble
28	Y	C	-0.2605	Soluble
29	T	C	-0.0991	Soluble
30	F	C	0.0000	Buried
35	T	C	0.1588	Aggregation-prone
36	S	C	0.2782	Aggregation-prone
37	Y	C	0.1963	Aggregation-prone
38	V	C	0.2098	Aggregation-prone
39	I	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	0.0000	Buried
45	K	C	-1.7529	Soluble
46	P	C	-1.2143	Soluble
47	G	C	-1.4674	Soluble
48	Q	C	-2.0969	Soluble
49	G	C	-1.4579	Soluble
50	L	C	0.0000	Buried
51	D	C	-1.8528	Soluble
52	W	C	0.0000	Buried
53	I	C	0.0000	Buried
54	G	C	0.0000	Buried
55	Y	C	0.1346	Aggregation-prone
56	I	C	0.0000	Buried
57	N	C	-0.6469	Soluble
58	P	C	0.0000	Buried
59	Y	C	0.3256	Aggregation-prone
62	N	C	-1.1958	Soluble
63	D	C	-1.2903	Soluble
64	G	C	-0.9468	Soluble
65	T	C	-0.6905	Soluble
66	D	C	-0.7917	Soluble
67	Y	C	-1.2657	Soluble
68	D	C	-2.3662	Soluble
69	E	C	-3.5919	Soluble
70	K	C	-3.3387	Soluble
71	F	C	0.0000	Buried
72	K	C	-3.1340	Soluble
74	G	C	-2.0464	Soluble
75	K	C	-1.5092	Soluble
76	A	C	0.0000	Buried
77	T	C	-0.8286	Soluble
78	L	C	0.0000	Buried
79	T	C	-0.7929	Soluble
80	S	C	-0.8143	Soluble
81	D	C	-1.1681	Soluble
82	T	C	-0.6540	Soluble
83	S	C	-0.5517	Soluble
84	T	C	-0.6511	Soluble
85	S	C	-0.7551	Soluble
86	T	C	0.0000	Buried
87	A	C	0.0000	Buried
88	Y	C	-0.5160	Soluble
89	M	C	0.0000	Buried
90	E	C	-1.2407	Soluble
91	L	C	0.0000	Buried
92	S	C	-1.0556	Soluble
93	S	C	-1.1267	Soluble
94	L	C	0.0000	Buried
95	R	C	-2.3092	Soluble
96	S	C	-1.9590	Soluble
97	E	C	-2.4054	Soluble
98	D	C	0.0000	Buried
99	T	C	-0.8131	Soluble
100	A	C	0.0000	Buried
101	V	C	0.1908	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	E	C	0.0000	Buried
108	K	C	-1.0250	Soluble
109	D	C	-0.8717	Soluble
110	N	C	-0.1875	Soluble
111	Y	C	1.0277	Aggregation-prone
111A	A	C	0.3444	Aggregation-prone
112A	T	C	-0.0745	Soluble
112	G	C	0.0000	Buried
113	A	C	0.0000	Buried
114	W	C	0.0000	Buried
115	F	C	0.0000	Buried
116	A	C	-0.1956	Soluble
117	Y	C	0.3853	Aggregation-prone
118	W	C	-0.2303	Soluble
119	G	C	0.0000	Buried
120	Q	C	-1.8650	Soluble
121	G	C	0.0000	Buried
122	T	C	0.0000	Buried
123	L	C	0.2922	Aggregation-prone
124	V	C	0.0000	Buried
125	T	C	0.0000	Buried
126	V	C	0.0000	Buried
127	S	C	-0.9994	Soluble
128	S	C	-0.8747	Soluble
129	A	C	-0.6740	Soluble
130	S	C	-0.7514	Soluble
131	T	C	-0.9957	Soluble
132	K	C	-1.8908	Soluble
133	G	C	-1.5840	Soluble
134	P	C	-1.3812	Soluble
135	S	C	-0.6917	Soluble
136	V	C	0.0000	Buried
137	F	C	0.0000	Buried
138	P	C	-1.3465	Soluble
139	L	C	0.0000	Buried
140	A	C	-0.8519	Soluble
141	P	C	-0.6028	Soluble
142	C	C	-0.5682	Soluble
143	S	C	-1.2425	Soluble
144	R	C	-2.3253	Soluble
145	S	C	-1.5929	Soluble
146	T	C	-1.5977	Soluble
147	S	C	-1.5434	Soluble
148	E	C	-2.3633	Soluble
149	S	C	-1.5172	Soluble
150	T	C	-1.0681	Soluble
151	A	C	-0.8059	Soluble
152	A	C	0.0000	Buried
153	L	C	0.0000	Buried
154	G	C	0.0000	Buried
155	C	C	0.0000	Buried
156	L	C	0.0000	Buried
157	V	C	0.0000	Buried
158	K	C	0.0000	Buried
159	D	C	-1.1808	Soluble
160	Y	C	0.0000	Buried
161	F	C	0.0000	Buried
162	P	C	-1.6319	Soluble
163	E	C	-1.7368	Soluble
164	P	C	-1.4766	Soluble
165	V	C	-1.1765	Soluble
166	T	C	-0.6641	Soluble
167	V	C	-0.4491	Soluble
168	S	C	-0.8119	Soluble
169	W	C	0.0000	Buried
170	N	C	-1.0776	Soluble
171	S	C	-0.6544	Soluble
172	G	C	-0.3853	Soluble
173	A	C	-0.1579	Soluble
174	L	C	-0.0121	Soluble
175	T	C	-0.1661	Soluble
176	S	C	-0.4880	Soluble
177	G	C	-0.9818	Soluble
178	V	C	-0.0452	Soluble
179	H	C	-0.4225	Soluble
180	T	C	0.0388	Aggregation-prone
181	F	C	0.0000	Buried
182	P	C	-0.2851	Soluble
183	A	C	0.1348	Aggregation-prone
184	V	C	0.8787	Aggregation-prone
185	L	C	0.9387	Aggregation-prone
186	Q	C	0.1707	Aggregation-prone
187	S	C	-0.2058	Soluble
188	S	C	-0.4050	Soluble
189	G	C	-0.1860	Soluble
190	L	C	0.0000	Buried
191	Y	C	0.0000	Buried
192	S	C	0.0685	Aggregation-prone
193	L	C	0.0000	Buried
194	S	C	0.0000	Buried
195	S	C	0.0000	Buried
196	V	C	0.0000	Buried
197	V	C	0.0000	Buried
198	T	C	-0.1167	Soluble
199	V	C	0.0000	Buried
200	P	C	-0.5966	Soluble
201	S	C	-1.0318	Soluble
202	S	C	-0.3835	Soluble
203	S	C	-0.6120	Soluble
204	L	C	-0.7292	Soluble
205	G	C	-1.2321	Soluble
206	T	C	-1.0915	Soluble
207	K	C	-1.8405	Soluble
208	T	C	-1.5581	Soluble
209	Y	C	-1.3058	Soluble
210	T	C	-1.3608	Soluble
211	C	C	0.0000	Buried
212	N	C	-1.7749	Soluble
213	V	C	0.0000	Buried
214	D	C	-2.7273	Soluble
215	H	C	0.0000	Buried
216	K	C	-2.7531	Soluble
217	P	C	-1.8255	Soluble
218	S	C	-2.1211	Soluble
219	N	C	-2.7962	Soluble
220	T	C	-2.3288	Soluble
221	K	C	-2.6474	Soluble
222	V	C	-1.4693	Soluble
223	D	C	-2.4765	Soluble
224	K	C	-2.2475	Soluble
225	R	C	-2.7508	Soluble
226	V	C	0.0000	Buried
227	E	C	-2.3857	Soluble
228	S	C	-1.3173	Soluble
1	D	B	-1.6494	Soluble
2	I	B	0.0000	Buried
3	V	B	0.8903	Aggregation-prone
4	M	B	0.0000	Buried
5	T	B	-0.5929	Soluble
6	Q	B	-1.3195	Soluble
7	S	B	-1.3265	Soluble
8	P	B	-1.3093	Soluble
9	D	B	-2.1018	Soluble
10	S	B	-1.0513	Soluble
11	L	B	-0.3111	Soluble
12	A	B	-0.4576	Soluble
13	V	B	0.0000	Buried
14	S	B	-1.7821	Soluble
15	L	B	-1.1489	Soluble
16	G	B	-1.7781	Soluble
17	E	B	-3.0276	Soluble
18	R	B	-2.8331	Soluble
19	V	B	0.0000	Buried
20	T	B	-0.6262	Soluble
21	M	B	0.0000	Buried
22	N	B	-1.2101	Soluble
23	C	B	0.0000	Buried
24	K	B	-1.5876	Soluble
25	S	B	0.0000	Buried
26	S	B	-0.7230	Soluble
27	Q	B	-1.3786	Soluble
28	S	B	-0.7583	Soluble
29	L	B	0.0000	Buried
30	L	B	-0.1191	Soluble
31	Y	B	-0.0709	Soluble
32	S	B	-0.7384	Soluble
33	T	B	-1.0005	Soluble
34	N	B	-1.9091	Soluble
35	Q	B	-1.9761	Soluble
36	K	B	-1.5354	Soluble
37	N	B	-0.5145	Soluble
38	Y	B	0.2663	Aggregation-prone
39	L	B	0.0000	Buried
40	A	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	0.0000	Buried
45	K	B	-2.0455	Soluble
46	P	B	-1.5468	Soluble
47	G	B	-1.4557	Soluble
48	Q	B	-2.2322	Soluble
49	S	B	-1.5844	Soluble
50	P	B	0.0000	Buried
51	K	B	-1.4895	Soluble
52	L	B	-0.5965	Soluble
53	L	B	0.0000	Buried
54	I	B	0.0000	Buried
55	Y	B	-0.1115	Soluble
56	W	B	-0.0603	Soluble
57	A	B	0.0000	Buried
65	S	B	-0.6703	Soluble
66	T	B	-0.7252	Soluble
67	R	B	-1.6411	Soluble
68	E	B	-1.3564	Soluble
69	S	B	-1.1776	Soluble
70	G	B	-1.0983	Soluble
71	V	B	0.0000	Buried
72	P	B	-1.4626	Soluble
74	D	B	-2.3116	Soluble
75	R	B	-1.5219	Soluble
76	F	B	0.0000	Buried
77	S	B	-0.9997	Soluble
78	G	B	-0.6039	Soluble
79	S	B	-0.7791	Soluble
80	G	B	-1.1192	Soluble
83	S	B	-1.0526	Soluble
84	G	B	-0.9391	Soluble
85	T	B	-1.3498	Soluble
86	D	B	-2.0667	Soluble
87	F	B	0.0000	Buried
88	T	B	-0.9169	Soluble
89	L	B	0.0000	Buried
90	T	B	-0.6859	Soluble
91	I	B	0.0000	Buried
92	S	B	-1.6315	Soluble
93	S	B	-1.5834	Soluble
94	V	B	0.0000	Buried
95	Q	B	-1.3524	Soluble
96	A	B	-1.0219	Soluble
97	E	B	-2.0876	Soluble
98	D	B	0.0000	Buried
99	V	B	-0.9827	Soluble
100	A	B	0.0000	Buried
101	V	B	-0.2594	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	Y	B	0.0000	Buried
108	Y	B	0.8228	Aggregation-prone
114	S	B	0.1711	Aggregation-prone
115	Y	B	0.4123	Aggregation-prone
116	R	B	-0.1027	Soluble
117	T	B	-0.1219	Soluble
118	F	B	0.0000	Buried
119	G	B	-0.3770	Soluble
120	G	B	-1.1541	Soluble
121	G	B	-1.1350	Soluble
122	T	B	0.0000	Buried
123	K	B	-1.0505	Soluble
124	L	B	0.0000	Buried
125	E	B	0.0000	Buried
126	I	B	0.0000	Buried
127	K	B	-1.3080	Soluble
128	R	B	-2.0455	Soluble
129	T	B	-0.4073	Soluble
130	V	B	1.0105	Aggregation-prone
131	A	B	0.3732	Aggregation-prone
132	A	B	0.0070	Aggregation-prone
133	P	B	-0.3543	Soluble
134	S	B	-0.2482	Soluble
135	V	B	0.0000	Buried
136	F	B	0.1736	Aggregation-prone
137	I	B	0.0000	Buried
138	F	B	0.0000	Buried
139	P	B	-0.3983	Soluble
140	P	B	-0.6072	Soluble
141	S	B	0.0000	Buried
142	D	B	-2.6116	Soluble
143	E	B	-2.3548	Soluble
144	Q	B	0.0000	Buried
145	L	B	-2.0478	Soluble
146	K	B	-2.6861	Soluble
147	S	B	-1.7087	Soluble
148	G	B	-1.2014	Soluble
149	T	B	-0.9619	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	-0.5098	Soluble
158	N	B	-1.2035	Soluble
159	F	B	0.0000	Buried
160	Y	B	-0.8562	Soluble
161	P	B	0.0000	Buried
162	R	B	-2.3345	Soluble
163	E	B	-2.7629	Soluble
164	A	B	-1.9788	Soluble
165	K	B	-2.3089	Soluble
166	V	B	-1.3561	Soluble
167	Q	B	-0.8029	Soluble
168	W	B	0.0000	Buried
169	K	B	-0.6515	Soluble
170	V	B	0.0000	Buried
171	D	B	-1.1918	Soluble
172	N	B	-1.2253	Soluble
173	A	B	-0.2741	Soluble
174	L	B	0.5936	Aggregation-prone
175	Q	B	-0.3419	Soluble
176	S	B	-0.6293	Soluble
177	G	B	-1.0387	Soluble
178	N	B	-1.1477	Soluble
179	S	B	-1.2467	Soluble
180	Q	B	-1.2021	Soluble
181	E	B	-1.6668	Soluble
182	S	B	-0.5231	Soluble
183	V	B	-0.3690	Soluble
184	T	B	-0.8714	Soluble
185	E	B	-2.0386	Soluble
186	Q	B	-1.9553	Soluble
187	D	B	-2.2258	Soluble
188	S	B	-2.2137	Soluble
189	K	B	-2.8810	Soluble
190	D	B	-3.0889	Soluble
191	S	B	-2.1792	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	-0.7406	Soluble
199	L	B	0.0000	Buried
200	T	B	-0.3621	Soluble
201	L	B	-0.5702	Soluble
202	S	B	-1.2070	Soluble
203	K	B	-2.1961	Soluble
204	A	B	-2.1098	Soluble
205	D	B	-3.0460	Soluble
206	Y	B	-2.6545	Soluble
207	E	B	-3.6835	Soluble
208	K	B	-3.6063	Soluble
209	H	B	-2.8096	Soluble
210	K	B	-2.6834	Soluble
211	V	B	-1.2969	Soluble
212	Y	B	0.0000	Buried
213	A	B	0.0000	Buried
214	C	B	0.0000	Buried
215	E	B	-0.6526	Soluble
216	V	B	0.0000	Buried
217	T	B	-1.1220	Soluble
218	H	B	0.0000	Buried
219	Q	B	-1.5463	Soluble
220	G	B	-0.3188	Soluble
221	L	B	-0.3342	Soluble
222	S	B	-0.4891	Soluble
223	S	B	-0.4052	Soluble
224	P	B	-0.2321	Soluble
225	V	B	0.0319	Aggregation-prone
226	T	B	-0.4367	Soluble
227	K	B	-0.4792	Soluble
228	S	B	-0.7610	Soluble
229	F	B	0.0000	Buried
230	N	B	-1.5436	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

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	-0.7883	2.029	CSV PDB
4.5	-0.8409	1.8796	CSV PDB
5.0	-0.9042	1.6638	CSV PDB
5.5	-0.9662	1.5756	CSV PDB
6.0	-1.0137	1.5472	CSV PDB
6.5	-1.0364	1.5184	CSV PDB
7.0	-1.0329	1.4895	CSV PDB
7.5	-1.0118	1.4604	CSV PDB
8.0	-0.9811	1.4312	CSV PDB
8.5	-0.9435	1.4013	CSV PDB
9.0	-0.8986	1.4901	CSV PDB