Trastuzumab / 6bhz

Calculation Parameters

Chain Sequence(s)	`EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYRWGGDGFYAMDYWGQGTLVTVSSATKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKAAYEKHKVYAEVTHQGLSSPVTKSFNRGE` 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 -3.3308

Maximum Score 1.6753

Average Score -0.696

Total Score -292.3354

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

Classification:

Index	Residue	Chain	A4D Score	Classification
1	E	H	-2.1593	Soluble
2	V	H	-1.3907	Soluble
3	Q	H	-1.3765	Soluble
4	L	H	0.0000	Buried
5	V	H	0.7943	Aggregation-prone
6	E	H	0.0000	Buried
7	S	H	-0.4629	Soluble
8	G	H	-0.9434	Soluble
9	G	H	-0.4903	Soluble
11	G	H	0.0118	Aggregation-prone
12	L	H	0.1351	Aggregation-prone
13	V	H	-0.5278	Soluble
14	Q	H	-1.5062	Soluble
15	P	H	-1.6589	Soluble
16	G	H	-1.4143	Soluble
17	G	H	-1.1023	Soluble
18	S	H	-1.1409	Soluble
19	L	H	-1.2012	Soluble
20	R	H	-2.1991	Soluble
21	L	H	0.0000	Buried
22	S	H	-0.4261	Soluble
23	C	H	0.0000	Buried
24	A	H	-0.0862	Soluble
25	A	H	-0.4092	Soluble
26	S	H	-0.8197	Soluble
27	G	H	-1.1876	Soluble
28	F	H	-0.8728	Soluble
30	I	H	0.0000	Buried
35	K	H	-2.7984	Soluble
36	D	H	-2.8549	Soluble
37	T	H	0.0000	Buried
38	Y	H	-0.7302	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	-0.7851	Soluble
45	A	H	-1.1632	Soluble
46	P	H	-0.9591	Soluble
47	G	H	-1.4771	Soluble
48	K	H	-2.3861	Soluble
49	G	H	-1.6394	Soluble
50	L	H	0.0000	Buried
51	E	H	-1.0674	Soluble
52	W	H	0.0000	Buried
53	V	H	0.0000	Buried
54	A	H	0.0000	Buried
55	R	H	-0.5435	Soluble
56	I	H	0.0000	Buried
57	Y	H	-0.5256	Soluble
58	P	H	0.0000	Buried
59	T	H	-1.4250	Soluble
62	N	H	-1.1880	Soluble
63	G	H	-0.4719	Soluble
64	Y	H	0.5117	Aggregation-prone
65	T	H	-0.3284	Soluble
66	R	H	-1.6641	Soluble
67	Y	H	-1.7048	Soluble
68	A	H	-1.7847	Soluble
69	D	H	-2.6487	Soluble
70	S	H	-1.7809	Soluble
71	V	H	0.0000	Buried
72	K	H	-2.8019	Soluble
74	G	H	-1.7106	Soluble
75	R	H	-1.4224	Soluble
76	F	H	0.0000	Buried
77	T	H	-1.0968	Soluble
78	I	H	0.0000	Buried
79	S	H	-0.1642	Soluble
80	A	H	-0.9667	Soluble
81	D	H	-1.5311	Soluble
82	T	H	-1.7775	Soluble
83	S	H	-1.5293	Soluble
84	K	H	-2.1383	Soluble
85	N	H	-1.6106	Soluble
86	T	H	-0.7781	Soluble
87	A	H	0.0000	Buried
88	Y	H	-0.6001	Soluble
89	L	H	0.0000	Buried
90	Q	H	-1.4590	Soluble
91	M	H	0.0000	Buried
92	N	H	-1.3499	Soluble
93	S	H	-1.2002	Soluble
94	L	H	0.0000	Buried
95	R	H	-2.2919	Soluble
96	A	H	-1.7108	Soluble
97	E	H	-2.2498	Soluble
98	D	H	0.0000	Buried
99	T	H	-0.6617	Soluble
100	A	H	0.0000	Buried
101	V	H	0.2882	Aggregation-prone
102	Y	H	0.0000	Buried
103	Y	H	0.0000	Buried
106	R	H	-0.5497	Soluble
107	W	H	0.0000	Buried
108	G	H	0.0000	Buried
109	G	H	-1.0183	Soluble
110	D	H	-1.8466	Soluble
111	G	H	0.0000	Buried
112	F	H	0.7085	Aggregation-prone
113	Y	H	0.7002	Aggregation-prone
114	A	H	0.0000	Buried
115	M	H	0.0000	Buried
116	D	H	-0.0780	Soluble
117	Y	H	-0.2947	Soluble
118	W	H	-0.2893	Soluble
119	G	H	0.0000	Buried
120	Q	H	-1.3223	Soluble
121	G	H	-0.5441	Soluble
122	T	H	-0.0093	Soluble
123	L	H	0.3253	Aggregation-prone
124	V	H	0.0000	Buried
125	T	H	-0.3476	Soluble
126	V	H	0.0000	Buried
127	S	H	-0.8694	Soluble
128	S	H	-0.6119	Soluble
129	A	H	-0.3090	Soluble
131	T	H	-0.6088	Soluble
132	K	H	-1.0540	Soluble
133	G	H	-1.3937	Soluble
134	P	H	0.0000	Buried
135	S	H	-0.2590	Soluble
136	V	H	0.0000	Buried
137	F	H	0.0000	Buried
138	P	H	-1.1388	Soluble
139	L	H	0.0000	Buried
140	A	H	-0.7889	Soluble
141	P	H	-0.4380	Soluble
142	T	H	-0.3022	Soluble
143	A	H	-0.1454	Soluble
144	A	H	0.0000	Buried
145	L	H	0.0000	Buried
146	G	H	0.0000	Buried
147	C	H	0.0000	Buried
148	L	H	0.0000	Buried
149	V	H	0.0000	Buried
150	K	H	0.0000	Buried
151	D	H	-0.2918	Soluble
152	Y	H	0.0000	Buried
153	F	H	0.0000	Buried
154	P	H	0.0000	Buried
155	E	H	-0.4948	Soluble
156	P	H	-0.8224	Soluble
157	V	H	-0.8632	Soluble
158	T	H	-0.7700	Soluble
159	V	H	-0.3097	Soluble
160	S	H	-0.4685	Soluble
161	W	H	0.0000	Buried
162	N	H	-0.7424	Soluble
163	S	H	-0.6634	Soluble
164	G	H	-0.5410	Soluble
165	A	H	-0.2645	Soluble
166	L	H	-0.0167	Soluble
167	T	H	-0.1908	Soluble
168	S	H	-0.1922	Soluble
169	G	H	-0.2351	Soluble
170	V	H	0.1629	Aggregation-prone
171	H	H	-0.3319	Soluble
172	T	H	-0.1809	Soluble
173	F	H	0.0000	Buried
174	P	H	-0.2956	Soluble
175	A	H	0.2691	Aggregation-prone
176	V	H	0.6264	Aggregation-prone
177	L	H	1.1570	Aggregation-prone
178	Q	H	0.3072	Aggregation-prone
179	S	H	-0.1368	Soluble
180	S	H	-0.2043	Soluble
181	G	H	0.0601	Aggregation-prone
182	L	H	0.2468	Aggregation-prone
183	Y	H	0.5233	Aggregation-prone
184	S	H	0.0000	Buried
185	L	H	0.0000	Buried
186	S	H	0.0000	Buried
187	S	H	0.0000	Buried
188	V	H	0.0000	Buried
189	V	H	0.0000	Buried
190	T	H	-0.1587	Soluble
191	V	H	0.0000	Buried
192	P	H	-0.3990	Soluble
193	S	H	-0.4330	Soluble
194	S	H	-0.5364	Soluble
195	S	H	-0.6151	Soluble
196	L	H	-0.7661	Soluble
197	G	H	-1.1578	Soluble
198	T	H	-1.0254	Soluble
199	Q	H	-1.4601	Soluble
200	T	H	-1.2162	Soluble
201	Y	H	0.0000	Buried
202	I	H	-1.1593	Soluble
203	C	H	0.0000	Buried
204	N	H	-1.5375	Soluble
205	V	H	0.0000	Buried
206	N	H	-2.5105	Soluble
207	H	H	0.0000	Buried
208	K	H	-2.8968	Soluble
209	P	H	-1.6500	Soluble
210	S	H	-1.8809	Soluble
211	N	H	-2.6672	Soluble
212	T	H	-2.2384	Soluble
213	K	H	-2.9243	Soluble
214	V	H	-1.7087	Soluble
215	D	H	-2.4122	Soluble
216	K	H	-2.0355	Soluble
217	K	H	-2.3593	Soluble
218	V	H	0.0000	Buried
219	E	H	-2.5156	Soluble
220	P	H	-1.3515	Soluble
1	D	L	-2.2576	Soluble
2	I	L	0.0000	Buried
3	Q	L	-2.2932	Soluble
4	M	L	0.0000	Buried
5	T	L	-1.4320	Soluble
6	Q	L	0.0000	Buried
7	S	L	-0.8616	Soluble
8	P	L	-0.6137	Soluble
9	S	L	-0.8540	Soluble
10	S	L	-0.7229	Soluble
11	L	L	-0.4503	Soluble
12	S	L	-0.5990	Soluble
13	A	L	-0.8615	Soluble
14	S	L	-0.7156	Soluble
15	V	L	-0.0680	Soluble
16	G	L	-0.7720	Soluble
17	D	L	-1.7424	Soluble
18	R	L	-2.2744	Soluble
19	V	L	0.0000	Buried
20	T	L	-0.6226	Soluble
21	I	L	0.0000	Buried
22	T	L	-0.7844	Soluble
23	C	L	0.0000	Buried
24	R	L	-2.8631	Soluble
25	A	L	0.0000	Buried
26	S	L	-2.2153	Soluble
27	Q	L	-2.7160	Soluble
28	D	L	-2.7382	Soluble
29	V	L	0.0000	Buried
36	N	L	-1.8578	Soluble
37	T	L	-0.8248	Soluble
38	A	L	0.0610	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	-1.6447	Soluble
46	P	L	-1.3114	Soluble
47	G	L	-1.5467	Soluble
48	K	L	-2.4505	Soluble
49	A	L	-1.5315	Soluble
50	P	L	0.0000	Buried
51	K	L	-1.3689	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	0.5319	Aggregation-prone
57	A	L	0.0000	Buried
65	S	L	0.3849	Aggregation-prone
66	F	L	1.6753	Aggregation-prone
67	L	L	1.2396	Aggregation-prone
68	Y	L	0.5626	Aggregation-prone
69	S	L	-0.0032	Soluble
70	G	L	-0.3805	Soluble
71	V	L	-0.1805	Soluble
72	P	L	-0.2628	Soluble
74	S	L	-0.3346	Soluble
75	R	L	-0.7153	Soluble
76	F	L	0.0000	Buried
77	S	L	0.0554	Aggregation-prone
78	G	L	-0.0583	Soluble
79	S	L	-0.6640	Soluble
80	R	L	-1.6755	Soluble
83	S	L	-1.3981	Soluble
84	G	L	-1.8753	Soluble
85	T	L	-2.3045	Soluble
86	D	L	-2.1400	Soluble
87	F	L	0.0000	Buried
88	T	L	-0.8031	Soluble
89	L	L	0.0000	Buried
90	T	L	-0.6298	Soluble
91	I	L	0.0000	Buried
92	S	L	-1.3682	Soluble
93	S	L	-1.1546	Soluble
94	L	L	0.0000	Buried
95	Q	L	-0.8294	Soluble
96	P	L	-1.3693	Soluble
97	E	L	-1.9096	Soluble
98	D	L	0.0000	Buried
99	F	L	-1.0903	Soluble
100	A	L	0.0000	Buried
101	T	L	-0.7740	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	0.4752	Aggregation-prone
108	Y	L	0.5745	Aggregation-prone
109	T	L	0.2142	Aggregation-prone
114	T	L	-0.4124	Soluble
115	P	L	-0.8260	Soluble
116	P	L	0.0000	Buried
117	T	L	-0.6540	Soluble
118	F	L	-0.5190	Soluble
119	G	L	0.0000	Buried
120	Q	L	-1.8362	Soluble
121	G	L	0.0000	Buried
122	T	L	0.0000	Buried
123	K	L	-1.4156	Soluble
124	V	L	0.0000	Buried
125	E	L	-1.0058	Soluble
126	I	L	0.0000	Buried
127	K	L	-0.9744	Soluble
128	R	L	-0.7069	Soluble
129	T	L	-0.0642	Soluble
130	V	L	0.3235	Aggregation-prone
131	A	L	-0.0597	Soluble
132	A	L	-0.1551	Soluble
133	P	L	0.0000	Buried
134	S	L	-0.1735	Soluble
135	V	L	0.0000	Buried
136	F	L	0.0395	Aggregation-prone
137	I	L	0.0476	Aggregation-prone
138	F	L	0.0000	Buried
139	P	L	-0.5189	Soluble
140	P	L	-0.8021	Soluble
141	S	L	-1.5890	Soluble
142	D	L	-2.8702	Soluble
143	E	L	-2.8247	Soluble
144	Q	L	0.0000	Buried
145	L	L	-2.2318	Soluble
146	K	L	-2.8023	Soluble
147	S	L	-1.8013	Soluble
148	G	L	-1.3415	Soluble
149	T	L	-0.8932	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	-0.9269	Soluble
159	F	L	0.0000	Buried
160	Y	L	0.0000	Buried
161	P	L	-1.5201	Soluble
162	R	L	-2.6404	Soluble
163	E	L	-3.0273	Soluble
164	A	L	-2.2345	Soluble
165	K	L	-2.3787	Soluble
166	V	L	-1.0008	Soluble
167	Q	L	-0.5232	Soluble
168	W	L	0.0000	Buried
169	K	L	-0.4935	Soluble
170	V	L	0.0000	Buried
171	D	L	-2.0693	Soluble
172	N	L	-1.5732	Soluble
173	A	L	-0.2540	Soluble
174	L	L	0.7958	Aggregation-prone
175	Q	L	-0.0402	Soluble
176	S	L	-0.3684	Soluble
177	G	L	-0.8390	Soluble
178	N	L	-0.7158	Soluble
179	S	L	-0.9452	Soluble
180	Q	L	-1.1267	Soluble
181	E	L	-1.5011	Soluble
182	S	L	-0.8044	Soluble
183	V	L	-0.7088	Soluble
184	T	L	-1.1272	Soluble
185	E	L	-2.1503	Soluble
186	Q	L	0.0000	Buried
187	D	L	-2.1078	Soluble
188	S	L	-2.0850	Soluble
189	K	L	-2.4703	Soluble
190	D	L	-1.7869	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	-0.5374	Soluble
199	L	L	0.0000	Buried
200	T	L	-0.2802	Soluble
201	L	L	-0.3065	Soluble
202	S	L	-0.6524	Soluble
203	K	L	-1.6297	Soluble
204	A	L	-1.2123	Soluble
205	A	L	-1.2717	Soluble
206	Y	L	0.0000	Buried
207	E	L	-2.9244	Soluble
208	K	L	-3.1502	Soluble
209	H	L	-2.7943	Soluble
210	K	L	-3.3308	Soluble
211	V	L	-1.5229	Soluble
212	Y	L	0.0000	Buried
213	A	L	0.0000	Buried
215	E	L	-0.8235	Soluble
216	V	L	0.0000	Buried
217	T	L	-1.1598	Soluble
218	H	L	0.0000	Buried
219	Q	L	-1.6777	Soluble
220	G	L	-0.4354	Soluble
221	L	L	-0.1798	Soluble
222	S	L	-0.4118	Soluble
223	S	L	-0.3794	Soluble
224	P	L	-0.4656	Soluble
225	V	L	0.0405	Aggregation-prone
226	T	L	-0.4917	Soluble
227	K	L	-0.8405	Soluble
228	S	L	-0.5771	Soluble
229	F	L	-0.9260	Soluble
230	N	L	-1.9633	Soluble
231	R	L	-2.5432	Soluble
232	G	L	-2.1716	Soluble
233	E	L	-2.5105	Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer | colored by A4D score

Load structure to view sequence…

Downloads

Download PDB View in RCSB

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	-0.6984	2.8904	CSV PDB
4.5	-0.7418	2.8034	CSV PDB
5.0	-0.792	2.7013	CSV PDB
5.5	-0.8393	2.7013	CSV PDB
6.0	-0.8727	2.7013	CSV PDB
6.5	-0.8834	2.7013	CSV PDB
7.0	-0.8719	2.7013	CSV PDB
7.5	-0.8455	2.7012	CSV PDB
8.0	-0.8109	2.7012	CSV PDB
8.5	-0.7697	2.7012	CSV PDB
9.0	-0.7216	2.701	CSV PDB