Trastuzumab / 6bi0

A4DAB277_6bi0_I_M | Source PDB: 6bi0 | Chains: I, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6809
Max Score
2.2755
Min Score
-3.0771
Total Score
-283.92
Score CDR
-0.4386
Score non-CDR
-0.7357

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLLAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWAMDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGASQESVTEQDSKDSTYSLSSTLTLSKAAYEKHAVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) I (Heavy), M (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.0771
Maximum Score 2.2755
Average Score -0.6809
Total Score -283.9152

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

Index Residue Chain A4D Score Classification
1 E I -2.1212 Soluble
2 V I -1.3950 Soluble
3 Q I -1.0592 Soluble
4 L I 0.1855 Aggregation-prone
5 V I 0.8913 Aggregation-prone
6 E I 0.0000 Buried
7 S I -0.1322 Soluble
8 G I -0.3682 Soluble
9 G I -0.0813 Soluble
11 G I 0.0651 Aggregation-prone
12 L I 0.1227 Aggregation-prone
13 V I -0.5630 Soluble
14 Q I -1.5623 Soluble
15 P I -1.7395 Soluble
16 G I -1.4276 Soluble
17 G I -1.0189 Soluble
18 S I -0.7266 Soluble
19 L I -0.2570 Soluble
21 L I -0.0664 Soluble
24 A I -0.0019 Soluble
25 A I 0.0000 Buried
26 S I -1.0004 Soluble
27 G I -1.5048 Soluble
28 F I -1.5454 Soluble
29 N I -2.4878 Soluble
30 I I 0.0000 Buried
35 K I -2.7104 Soluble
36 D I -2.5589 Soluble
37 T I 0.0000 Buried
38 Y I 0.2687 Aggregation-prone
39 I I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.7891 Soluble
45 A I -1.1445 Soluble
46 P I -0.9305 Soluble
47 G I -1.4697 Soluble
48 K I -2.4045 Soluble
49 G I -1.6523 Soluble
50 L I 0.0000 Buried
51 E I -1.1200 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 R I -0.4023 Soluble
56 I I 0.0000 Buried
57 Y I -0.1958 Soluble
58 P I -0.9459 Soluble
59 T I -1.0739 Soluble
62 N I -0.7424 Soluble
63 G I -0.2054 Soluble
64 Y I 0.6381 Aggregation-prone
65 T I -0.3240 Soluble
66 R I -1.9185 Soluble
67 Y I -1.8670 Soluble
68 A I 0.0000 Buried
69 D I -2.6840 Soluble
70 S I -1.7285 Soluble
71 V I 0.0000 Buried
72 K I -2.8442 Soluble
74 G I -1.6984 Soluble
75 R I -1.4680 Soluble
76 F I 0.0000 Buried
77 T I -1.0043 Soluble
78 I I 0.0000 Buried
79 S I -0.0734 Soluble
80 A I -0.6434 Soluble
81 D I -1.4227 Soluble
82 T I -1.8646 Soluble
83 S I -1.6222 Soluble
84 K I -2.2710 Soluble
85 N I -1.9124 Soluble
86 T I -0.9278 Soluble
87 A I -0.1258 Soluble
88 Y I 0.2675 Aggregation-prone
89 L I 0.0000 Buried
90 Q I -0.9547 Soluble
91 M I 0.0000 Buried
92 N I -1.1183 Soluble
93 S I -1.1392 Soluble
94 L I 0.0000 Buried
95 R I -2.4450 Soluble
96 A I -1.7996 Soluble
97 E I -2.3201 Soluble
98 D I 0.0000 Buried
99 T I -0.6661 Soluble
100 A I 0.0000 Buried
101 V I 0.2919 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 S I 0.0000 Buried
106 R I 0.0182 Aggregation-prone
107 W I 0.2063 Aggregation-prone
108 A I 0.1768 Aggregation-prone
115 M I 0.0000 Buried
116 D I -0.2740 Soluble
117 Y I -0.2288 Soluble
118 W I -0.4188 Soluble
119 G I 0.0000 Buried
120 Q I -1.3624 Soluble
121 G I -0.5865 Soluble
122 T I 0.0557 Aggregation-prone
123 L I 0.4379 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.3582 Soluble
126 V I 0.0000 Buried
127 S I -0.9688 Soluble
128 S I -0.7239 Soluble
129 A I -0.4505 Soluble
130 S I -0.5670 Soluble
131 T I -0.7285 Soluble
132 K I -1.1753 Soluble
133 G I -1.3713 Soluble
134 P I 0.0000 Buried
135 S I -0.4266 Soluble
136 V I 0.0000 Buried
137 F I 0.0000 Buried
138 P I -1.1153 Soluble
139 L I 0.0000 Buried
140 A I -0.7539 Soluble
141 P I -0.4681 Soluble
142 G I -0.6411 Soluble
143 T I -0.4687 Soluble
144 A I -0.2153 Soluble
145 A I 0.0000 Buried
146 L I 0.0000 Buried
147 G I 0.0000 Buried
148 C I 0.0000 Buried
149 L I 0.0000 Buried
150 V I 0.0000 Buried
151 K I 0.0000 Buried
152 D I -0.4910 Soluble
153 Y I 0.0000 Buried
154 F I 0.0000 Buried
155 P I 0.0000 Buried
156 E I -0.5656 Soluble
157 P I -0.8283 Soluble
158 V I -0.8504 Soluble
159 T I -0.7581 Soluble
160 V I -0.4772 Soluble
161 S I -0.4923 Soluble
162 W I 0.0000 Buried
163 N I -0.7846 Soluble
164 S I -0.7159 Soluble
165 G I -0.5441 Soluble
166 A I -0.2732 Soluble
167 L I -0.0142 Soluble
168 T I -0.1784 Soluble
169 S I -0.1794 Soluble
170 G I -0.2115 Soluble
171 V I 0.2097 Aggregation-prone
172 H I 0.0000 Buried
173 T I 0.0714 Aggregation-prone
174 F I 0.0000 Buried
175 P I -0.3285 Soluble
176 A I 0.1976 Aggregation-prone
177 V I 0.4889 Aggregation-prone
178 L I 1.0089 Aggregation-prone
179 Q I 0.2130 Aggregation-prone
180 S I -0.0771 Soluble
181 S I -0.2327 Soluble
182 G I 0.0476 Aggregation-prone
183 L I 0.1246 Aggregation-prone
184 Y I 0.3710 Aggregation-prone
185 S I 0.0000 Buried
186 L I 0.0000 Buried
187 S I 0.0000 Buried
188 S I 0.0000 Buried
189 V I 0.0000 Buried
190 V I 0.0000 Buried
191 T I -0.1461 Soluble
192 V I 0.0000 Buried
193 P I -0.5807 Soluble
194 S I -0.5113 Soluble
195 S I -0.6242 Soluble
196 S I 0.0000 Buried
197 L I -0.8862 Soluble
198 G I -1.0830 Soluble
199 T I -0.8614 Soluble
200 Q I -1.5057 Soluble
201 T I -1.2414 Soluble
202 Y I 0.0000 Buried
203 I I -1.1142 Soluble
204 C I 0.0000 Buried
205 N I -1.5773 Soluble
206 V I 0.0000 Buried
207 N I -2.4756 Soluble
208 H I 0.0000 Buried
209 K I -2.9121 Soluble
210 P I -1.6340 Soluble
211 S I -1.8959 Soluble
212 N I -2.7068 Soluble
213 T I -2.2302 Soluble
214 K I -2.9116 Soluble
215 V I -1.7011 Soluble
216 D I -2.5208 Soluble
217 K I -2.0112 Soluble
218 K I -2.1460 Soluble
219 V I 0.0000 Buried
220 E I -2.4252 Soluble
221 P I -1.2460 Soluble
2 I M -0.5214 Soluble
3 Q M -1.6115 Soluble
4 M M 0.0000 Buried
5 T M -1.3483 Soluble
6 Q M 0.0000 Buried
7 S M -0.8670 Soluble
8 P M -0.6471 Soluble
9 S M -0.9147 Soluble
10 S M -0.8831 Soluble
11 L M -0.5918 Soluble
12 S M -1.0490 Soluble
13 A M 0.0000 Buried
14 S M -0.7192 Soluble
15 V M 0.1543 Aggregation-prone
16 G M -0.7015 Soluble
17 D M -1.5328 Soluble
18 R M -2.2177 Soluble
19 V M 0.0000 Buried
20 T M -0.6168 Soluble
21 I M 0.0000 Buried
22 T M -0.8666 Soluble
23 C M 0.0000 Buried
24 R M -2.9638 Soluble
25 A M 0.0000 Buried
26 S M -1.8569 Soluble
27 Q M -2.6113 Soluble
28 D M -2.8242 Soluble
29 V M 0.0000 Buried
36 N M -2.0690 Soluble
37 T M -1.1312 Soluble
38 A M -0.1845 Soluble
39 V M 0.0000 Buried
40 A M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.9618 Soluble
46 P M -1.5977 Soluble
47 G M -1.7213 Soluble
48 K M -2.6663 Soluble
49 A M -1.6612 Soluble
50 P M 0.0000 Buried
51 K M -1.5271 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M 1.2475 Aggregation-prone
56 S M 0.3657 Aggregation-prone
57 A M 0.0000 Buried
65 S M 0.5331 Aggregation-prone
66 F M 2.2755 Aggregation-prone
67 L M 1.4948 Aggregation-prone
68 Y M 0.7148 Aggregation-prone
69 S M 0.0585 Aggregation-prone
70 G M -0.4567 Soluble
71 V M 0.0000 Buried
72 P M -0.3100 Soluble
74 S M -0.3792 Soluble
75 R M -0.6985 Soluble
76 F M 0.0000 Buried
77 S M 0.1033 Aggregation-prone
78 G M -0.1433 Soluble
79 S M -1.1493 Soluble
80 R M -2.7279 Soluble
83 S M -1.8799 Soluble
84 G M -2.1857 Soluble
85 T M -2.4453 Soluble
86 D M -2.3524 Soluble
87 F M 0.0000 Buried
88 T M -1.0522 Soluble
89 L M 0.0000 Buried
90 T M -0.6126 Soluble
91 I M 0.0000 Buried
92 S M -1.2832 Soluble
93 S M -1.0417 Soluble
94 L M 0.0000 Buried
95 Q M -0.9780 Soluble
96 P M -1.0348 Soluble
97 E M -2.0077 Soluble
98 D M 0.0000 Buried
99 F M 0.0000 Buried
100 A M 0.0000 Buried
101 T M -1.0568 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 H M 0.2614 Aggregation-prone
108 Y M 0.6169 Aggregation-prone
109 T M 0.5311 Aggregation-prone
114 T M -0.1100 Soluble
115 P M -0.5170 Soluble
116 P M 0.0000 Buried
117 T M -0.3468 Soluble
118 F M -0.5120 Soluble
119 G M 0.0000 Buried
120 Q M -1.8871 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 K M -1.6940 Soluble
124 V M 0.0000 Buried
125 E M -1.3722 Soluble
126 I M -0.9173 Soluble
127 K M -1.6267 Soluble
128 R M -1.2301 Soluble
129 T M -0.1979 Soluble
130 V M 0.2863 Aggregation-prone
131 A M 0.1295 Aggregation-prone
132 A M -0.1184 Soluble
133 P M 0.0000 Buried
134 S M -0.1802 Soluble
135 V M 0.0000 Buried
136 F M 0.0617 Aggregation-prone
137 I M 0.0824 Aggregation-prone
138 F M 0.0000 Buried
139 P M -0.8291 Soluble
140 P M 0.0000 Buried
141 S M -1.6361 Soluble
142 D M -3.0227 Soluble
143 E M -3.0607 Soluble
144 Q M 0.0000 Buried
145 L M -2.3197 Soluble
146 K M -2.8615 Soluble
147 S M -1.7393 Soluble
148 G M -1.2205 Soluble
149 T M -0.8493 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M -0.3444 Soluble
158 N M -0.8074 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.6693 Soluble
162 R M -2.6491 Soluble
163 E M -3.0771 Soluble
164 A M -2.2028 Soluble
165 K M -2.0445 Soluble
166 V M -0.8509 Soluble
167 Q M -0.3711 Soluble
168 W M 0.0000 Buried
169 K M -0.5059 Soluble
170 V M 0.0000 Buried
171 D M -1.4183 Soluble
172 N M -1.3696 Soluble
173 A M -0.2853 Soluble
174 L M 0.7054 Aggregation-prone
175 Q M -0.1257 Soluble
176 S M -0.3371 Soluble
177 G M -0.7765 Soluble
178 A M -0.4877 Soluble
179 S M -1.0027 Soluble
180 Q M -1.4783 Soluble
181 E M -2.0058 Soluble
182 S M -0.8840 Soluble
183 V M -0.8658 Soluble
184 T M -1.1626 Soluble
185 E M -2.2692 Soluble
186 Q M -1.8753 Soluble
187 D M -1.7828 Soluble
188 S M -1.6626 Soluble
189 K M -2.1603 Soluble
190 D M -1.5437 Soluble
191 S M -1.6870 Soluble
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.6429 Soluble
199 L M 0.0000 Buried
200 T M -0.2238 Soluble
201 L M -0.2626 Soluble
202 S M -0.6684 Soluble
203 K M -1.6704 Soluble
204 A M -1.2924 Soluble
205 A M -1.3265 Soluble
206 Y M 0.0000 Buried
207 E M -2.8211 Soluble
208 K M -2.8121 Soluble
209 H M -2.0781 Soluble
210 A M -1.5907 Soluble
211 V M -0.7369 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.7478 Soluble
216 V M 0.0000 Buried
217 T M -1.1385 Soluble
218 H M 0.0000 Buried
219 Q M -1.6844 Soluble
220 G M -0.4294 Soluble
221 L M -0.2276 Soluble
222 S M -0.4524 Soluble
223 S M -0.4530 Soluble
224 P M -0.5593 Soluble
225 V M -0.1292 Soluble
226 T M -0.5122 Soluble
227 K M -0.8017 Soluble
228 S M -0.6965 Soluble
229 F M -0.9014 Soluble
230 N M -1.8945 Soluble
231 R M -2.2229 Soluble
232 G M -2.1158 Soluble
233 E M -2.1967 Soluble
234 C M -0.4942 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
CDR Regions
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 -0.6551 3.8862 CSV PDB
4.5 -0.6962 3.8862 CSV PDB
5.0 -0.7449 3.8862 CSV PDB
5.5 -0.7914 3.8862 CSV PDB
6.0 -0.8244 3.8862 CSV PDB
6.5 -0.8346 3.8862 CSV PDB
7.0 -0.8218 3.8862 CSV PDB
7.5 -0.7936 3.8862 CSV PDB
8.0 -0.757 3.8861 CSV PDB
8.5 -0.7142 3.8859 CSV PDB
9.0 -0.6659 3.8852 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH