Timigutuzumab / 6bi0

Calculation Parameters

Chain Sequence(s)	`VQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGASQESVTEQDSKDSTYSLSSTLTLSKAAYEKHAVYACEVTHQGLSSPVTKSFNRGE` 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 -3.1479

Maximum Score 1.8614

Average Score -0.665

Total Score -281.2813

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

Classification:

Index	Residue	Chain	A4D Score	Classification
2	V	H	0.7856	Aggregation-prone
3	Q	H	-0.3601	Soluble
4	L	H	0.0000	Buried
5	V	H	0.2015	Aggregation-prone
6	E	H	0.0000	Buried
7	S	H	-0.5606	Soluble
8	G	H	-0.8746	Soluble
9	G	H	-0.4574	Soluble
11	G	H	0.0226	Aggregation-prone
12	L	H	0.0694	Aggregation-prone
13	V	H	0.0000	Buried
14	Q	H	-1.7116	Soluble
15	P	H	-1.8946	Soluble
16	G	H	-1.5868	Soluble
17	G	H	-1.2157	Soluble
18	S	H	-1.0773	Soluble
19	L	H	-1.0559	Soluble
20	R	H	-1.9108	Soluble
21	L	H	0.0000	Buried
22	S	H	-0.4514	Soluble
23	C	H	0.0000	Buried
24	A	H	-0.3658	Soluble
25	A	H	0.0000	Buried
26	S	H	-0.4332	Soluble
27	G	H	-0.3609	Soluble
28	F	H	-0.9342	Soluble
29	N	H	-2.3645	Soluble
30	I	H	0.0000	Buried
35	K	H	-3.0131	Soluble
36	D	H	-2.9147	Soluble
37	T	H	0.0000	Buried
38	Y	H	-0.6598	Soluble
39	I	H	0.0000	Buried
40	H	H	0.0000	Buried
41	W	H	0.0000	Buried
42	V	H	0.0000	Buried
43	R	H	0.0000	Buried
44	Q	H	-0.7814	Soluble
45	A	H	-1.1593	Soluble
46	P	H	-0.9603	Soluble
47	G	H	-1.4835	Soluble
48	K	H	-2.3774	Soluble
49	G	H	-1.6016	Soluble
50	L	H	-0.8714	Soluble
51	E	H	-1.1272	Soluble
52	W	H	0.0000	Buried
53	V	H	0.0000	Buried
54	A	H	0.0000	Buried
55	R	H	-0.6380	Soluble
56	I	H	0.0000	Buried
57	Y	H	-0.3750	Soluble
58	P	H	-1.1621	Soluble
59	T	H	-1.3273	Soluble
62	N	H	-1.1203	Soluble
63	G	H	-0.4406	Soluble
64	Y	H	0.5162	Aggregation-prone
65	T	H	-0.3837	Soluble
66	R	H	-1.7803	Soluble
67	Y	H	-1.7647	Soluble
68	A	H	-1.8488	Soluble
69	D	H	-2.7198	Soluble
70	S	H	-1.8057	Soluble
71	V	H	0.0000	Buried
72	K	H	-2.8892	Soluble
74	G	H	-1.8002	Soluble
75	R	H	-1.5673	Soluble
76	F	H	0.0000	Buried
77	T	H	-1.0583	Soluble
78	I	H	0.0000	Buried
79	S	H	-0.1487	Soluble
80	A	H	-0.8295	Soluble
81	D	H	-1.5662	Soluble
82	T	H	-1.9885	Soluble
83	S	H	-1.6743	Soluble
84	K	H	-2.2692	Soluble
85	N	H	-1.9646	Soluble
86	T	H	-1.1552	Soluble
87	A	H	0.0000	Buried
88	Y	H	-0.5082	Soluble
89	L	H	0.0000	Buried
90	Q	H	-1.2318	Soluble
91	M	H	0.0000	Buried
92	N	H	-1.3431	Soluble
93	S	H	-1.3571	Soluble
94	L	H	0.0000	Buried
95	R	H	-2.9084	Soluble
96	A	H	-2.0157	Soluble
97	E	H	-2.4729	Soluble
98	D	H	0.0000	Buried
99	T	H	-0.7851	Soluble
100	A	H	0.0000	Buried
101	V	H	0.2944	Aggregation-prone
102	Y	H	0.0000	Buried
103	Y	H	0.0000	Buried
104	C	H	0.0000	Buried
105	S	H	0.0000	Buried
106	R	H	-0.4556	Soluble
107	W	H	0.0000	Buried
108	G	H	0.0000	Buried
109	G	H	-0.9518	Soluble
110	D	H	-1.7759	Soluble
111	G	H	0.0000	Buried
112	F	H	0.7724	Aggregation-prone
113	Y	H	0.7443	Aggregation-prone
114	A	H	0.0000	Buried
115	M	H	0.0000	Buried
116	D	H	0.0952	Aggregation-prone
117	Y	H	0.1116	Aggregation-prone
118	W	H	-0.2059	Soluble
119	G	H	0.0000	Buried
120	Q	H	-1.4729	Soluble
121	G	H	-0.7001	Soluble
122	T	H	-0.0679	Soluble
123	L	H	0.3627	Aggregation-prone
124	V	H	0.0000	Buried
125	T	H	-0.4366	Soluble
126	V	H	0.0000	Buried
127	S	H	-0.8626	Soluble
128	S	H	-0.7104	Soluble
129	A	H	-0.4546	Soluble
130	S	H	-0.5419	Soluble
131	T	H	-0.7077	Soluble
132	K	H	-1.1610	Soluble
133	G	H	-1.3689	Soluble
134	P	H	0.0000	Buried
135	S	H	-0.2202	Soluble
136	V	H	0.0000	Buried
137	F	H	-0.2819	Soluble
138	P	H	-0.7654	Soluble
139	L	H	0.0000	Buried
140	A	H	-0.6931	Soluble
141	P	H	0.0000	Buried
142	S	H	-0.4932	Soluble
143	T	H	-0.2712	Soluble
144	A	H	0.0000	Buried
145	A	H	0.0000	Buried
146	L	H	0.0000	Buried
147	G	H	0.0000	Buried
148	C	H	0.0000	Buried
149	L	H	0.0000	Buried
150	V	H	0.0000	Buried
151	K	H	0.0000	Buried
152	D	H	-0.2757	Soluble
153	Y	H	0.0000	Buried
154	F	H	0.0000	Buried
155	P	H	0.0000	Buried
156	E	H	-0.4466	Soluble
157	P	H	-0.7909	Soluble
158	V	H	-0.8403	Soluble
159	T	H	-0.7176	Soluble
160	V	H	-0.3003	Soluble
161	S	H	-0.4609	Soluble
162	W	H	0.0000	Buried
163	N	H	-0.7356	Soluble
164	S	H	-0.6743	Soluble
165	G	H	-0.5819	Soluble
166	A	H	-0.2470	Soluble
167	L	H	0.0204	Aggregation-prone
168	T	H	-0.1677	Soluble
169	S	H	-0.1569	Soluble
170	G	H	-0.1521	Soluble
171	V	H	0.2255	Aggregation-prone
172	H	H	-0.3152	Soluble
173	T	H	0.0294	Aggregation-prone
174	F	H	0.0000	Buried
175	P	H	-0.2978	Soluble
176	A	H	0.2717	Aggregation-prone
177	V	H	0.6275	Aggregation-prone
178	L	H	1.1671	Aggregation-prone
179	Q	H	0.2847	Aggregation-prone
180	S	H	-0.0655	Soluble
181	S	H	-0.2022	Soluble
182	G	H	0.0710	Aggregation-prone
183	L	H	0.2067	Aggregation-prone
184	Y	H	0.5140	Aggregation-prone
185	S	H	0.0000	Buried
186	L	H	0.0000	Buried
187	S	H	0.0000	Buried
188	S	H	0.0000	Buried
189	V	H	0.0000	Buried
190	V	H	0.0000	Buried
191	T	H	-0.1285	Soluble
192	V	H	0.0000	Buried
193	P	H	-0.5463	Soluble
194	S	H	-0.4868	Soluble
195	S	H	-0.5776	Soluble
196	S	H	-0.6932	Soluble
197	L	H	-0.9391	Soluble
198	G	H	-1.2327	Soluble
199	T	H	-1.0548	Soluble
200	Q	H	-1.5864	Soluble
201	T	H	-1.1845	Soluble
202	Y	H	0.0000	Buried
203	I	H	-0.9696	Soluble
204	C	H	0.0000	Buried
205	N	H	-1.5635	Soluble
206	V	H	0.0000	Buried
207	N	H	-2.3634	Soluble
208	H	H	0.0000	Buried
209	K	H	-2.8805	Soluble
210	P	H	-1.6249	Soluble
211	S	H	-1.8828	Soluble
212	N	H	-2.6871	Soluble
213	T	H	-2.2243	Soluble
214	K	H	-2.9137	Soluble
215	V	H	-1.7562	Soluble
216	D	H	-2.5575	Soluble
217	K	H	-2.0973	Soluble
218	K	H	-2.0223	Soluble
219	V	H	0.0000	Buried
220	E	H	-2.4563	Soluble
221	P	H	-1.2454	Soluble
2	I	L	-0.3959	Soluble
3	Q	L	-1.5427	Soluble
4	M	L	0.0000	Buried
5	T	L	-1.3478	Soluble
6	Q	L	0.0000	Buried
7	S	L	-0.9258	Soluble
8	P	L	-0.7203	Soluble
9	S	L	-1.0213	Soluble
10	S	L	-1.0510	Soluble
11	L	L	-0.6463	Soluble
12	S	L	-0.8808	Soluble
13	A	L	-0.8822	Soluble
14	S	L	-0.7437	Soluble
15	V	L	0.0005	Aggregation-prone
16	G	L	-0.7669	Soluble
17	D	L	-1.9373	Soluble
18	R	L	-2.4074	Soluble
19	V	L	0.0000	Buried
20	T	L	-0.6413	Soluble
21	I	L	0.0000	Buried
22	T	L	-0.7669	Soluble
23	C	L	0.0000	Buried
24	R	L	-2.8538	Soluble
25	A	L	0.0000	Buried
26	S	L	-1.7931	Soluble
27	Q	L	-2.4971	Soluble
28	D	L	-2.7399	Soluble
29	V	L	0.0000	Buried
36	N	L	-1.8452	Soluble
37	T	L	-0.8226	Soluble
38	A	L	0.0900	Aggregation-prone
39	V	L	0.0000	Buried
40	A	L	0.0000	Buried
41	W	L	0.0000	Buried
42	Y	L	0.0000	Buried
43	Q	L	0.0000	Buried
44	Q	L	0.0000	Buried
45	K	L	-1.5955	Soluble
46	P	L	-1.3891	Soluble
47	G	L	-1.6252	Soluble
48	K	L	-2.5939	Soluble
49	A	L	-1.6591	Soluble
50	P	L	0.0000	Buried
51	K	L	-1.7084	Soluble
52	L	L	0.0000	Buried
53	L	L	0.0000	Buried
54	I	L	0.0000	Buried
55	Y	L	0.0000	Buried
56	S	L	0.5909	Aggregation-prone
57	A	L	0.0000	Buried
65	S	L	0.5164	Aggregation-prone
66	F	L	1.8614	Aggregation-prone
67	L	L	1.2265	Aggregation-prone
68	Y	L	0.4954	Aggregation-prone
69	S	L	-0.0588	Soluble
70	G	L	-0.4898	Soluble
71	V	L	0.0000	Buried
72	P	L	-0.3800	Soluble
74	S	L	-0.4161	Soluble
75	R	L	-0.7158	Soluble
76	F	L	0.0000	Buried
77	S	L	0.0739	Aggregation-prone
78	G	L	0.0021	Aggregation-prone
79	S	L	-0.5920	Soluble
80	R	L	-1.6374	Soluble
83	S	L	-1.2517	Soluble
84	G	L	-1.8763	Soluble
85	T	L	-2.2896	Soluble
86	D	L	-2.1069	Soluble
87	F	L	0.0000	Buried
88	T	L	-0.7797	Soluble
89	L	L	0.0000	Buried
90	T	L	-0.6078	Soluble
91	I	L	0.0000	Buried
92	S	L	-1.3573	Soluble
93	S	L	-1.1132	Soluble
94	L	L	0.0000	Buried
95	Q	L	-0.8823	Soluble
96	P	L	-1.3550	Soluble
97	E	L	-2.1048	Soluble
98	D	L	0.0000	Buried
99	F	L	-1.2540	Soluble
100	A	L	0.0000	Buried
101	T	L	-1.0615	Soluble
102	Y	L	0.0000	Buried
103	Y	L	0.0000	Buried
104	C	L	0.0000	Buried
105	Q	L	0.0000	Buried
106	Q	L	0.0000	Buried
107	H	L	0.5368	Aggregation-prone
108	Y	L	0.7389	Aggregation-prone
109	T	L	0.6121	Aggregation-prone
114	T	L	-0.0858	Soluble
115	P	L	-0.4634	Soluble
116	P	L	0.0000	Buried
117	T	L	-0.2790	Soluble
118	F	L	-0.4526	Soluble
119	G	L	0.0000	Buried
120	Q	L	-1.8786	Soluble
121	G	L	0.0000	Buried
122	T	L	0.0000	Buried
123	K	L	-1.9692	Soluble
124	V	L	0.0000	Buried
125	E	L	-1.2026	Soluble
126	I	L	0.0000	Buried
127	K	L	-0.9927	Soluble
128	R	L	-0.6379	Soluble
129	T	L	-0.0017	Soluble
130	V	L	0.3999	Aggregation-prone
131	A	L	-0.0084	Soluble
132	A	L	-0.1104	Soluble
133	P	L	0.0000	Buried
134	S	L	-0.1311	Soluble
135	V	L	0.0000	Buried
136	F	L	0.2064	Aggregation-prone
137	I	L	0.1942	Aggregation-prone
138	F	L	0.0000	Buried
139	P	L	-0.5621	Soluble
140	P	L	-0.5708	Soluble
141	S	L	-1.0731	Soluble
142	D	L	-2.1715	Soluble
144	Q	L	0.0000	Buried
145	L	L	-1.8330	Soluble
146	K	L	-2.3520	Soluble
147	S	L	-1.4445	Soluble
148	G	L	-1.1313	Soluble
149	T	L	-0.7751	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	-0.8428	Soluble
159	F	L	0.0000	Buried
160	Y	L	0.0000	Buried
161	P	L	-1.6005	Soluble
162	R	L	-2.6922	Soluble
163	E	L	-3.1479	Soluble
164	A	L	-2.3226	Soluble
165	K	L	-2.2594	Soluble
166	V	L	-1.0740	Soluble
167	Q	L	-0.5876	Soluble
168	W	L	0.0000	Buried
169	K	L	-0.5822	Soluble
170	V	L	0.0000	Buried
171	D	L	-1.6674	Soluble
172	N	L	-1.4134	Soluble
173	A	L	-0.3329	Soluble
174	L	L	0.6151	Aggregation-prone
175	Q	L	-0.2360	Soluble
176	S	L	-0.3550	Soluble
177	G	L	-0.7511	Soluble
178	A	L	-0.4805	Soluble
179	S	L	-0.8695	Soluble
180	Q	L	-1.1373	Soluble
181	E	L	-1.5295	Soluble
182	S	L	-0.8241	Soluble
183	V	L	-0.7464	Soluble
184	T	L	-1.1717	Soluble
185	E	L	-2.1837	Soluble
186	Q	L	0.0000	Buried
187	D	L	-2.2544	Soluble
188	S	L	-2.1621	Soluble
189	K	L	-2.5005	Soluble
190	D	L	-1.7190	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	0.0000	Buried
196	S	L	0.0000	Buried
197	S	L	0.0000	Buried
198	T	L	-0.5042	Soluble
199	L	L	0.0000	Buried
200	T	L	-0.2385	Soluble
201	L	L	-0.3511	Soluble
202	S	L	-0.8055	Soluble
203	K	L	-1.9311	Soluble
204	A	L	-1.4621	Soluble
205	A	L	-1.4730	Soluble
206	Y	L	0.0000	Buried
207	E	L	-3.0845	Soluble
208	K	L	-3.0165	Soluble
209	H	L	-2.0540	Soluble
210	A	L	-1.6876	Soluble
211	V	L	-0.7102	Soluble
212	Y	L	0.0000	Buried
213	A	L	0.0000	Buried
214	C	L	0.0000	Buried
215	E	L	-0.7399	Soluble
216	V	L	0.0000	Buried
217	T	L	-1.2380	Soluble
218	H	L	0.0000	Buried
219	Q	L	-1.7106	Soluble
220	G	L	-0.4264	Soluble
221	L	L	-0.2246	Soluble
222	S	L	-0.4523	Soluble
223	S	L	-0.4500	Soluble
224	P	L	-0.6074	Soluble
225	V	L	-0.1036	Soluble
226	T	L	-0.4764	Soluble
227	K	L	-0.6063	Soluble
228	S	L	-0.5438	Soluble
229	F	L	-0.7773	Soluble
230	N	L	-1.7187	Soluble
231	R	L	-2.1519	Soluble
232	G	L	-1.9839	Soluble
233	E	L	-2.4384	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	-0.6866	3.1833	CSV PDB
4.5	-0.7293	3.1833	CSV PDB
5.0	-0.7768	3.1833	CSV PDB
5.5	-0.8208	3.1833	CSV PDB
6.0	-0.8513	3.1833	CSV PDB
6.5	-0.8599	3.1833	CSV PDB
7.0	-0.8471	3.1833	CSV PDB
7.5	-0.8204	3.1833	CSV PDB
8.0	-0.7857	3.1832	CSV PDB
8.5	-0.7442	3.1832	CSV PDB
9.0	-0.6957	3.1829	CSV PDB