Pertuzumab / 5vsh

A4DAB207_5vsh_H_L | Source PDB: 5vsh | Chains: H, L | Done
98.23
Yes
10 Å
Yes
Avg A4D Score
-0.6619
Max Score
1.5185
Min Score
-3.4311
Total Score
-282.65
Score CDR
-0.2181
Score non-CDR
-0.7155

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRYAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGRGTLVTVSSASTKGPSVFPLAPCGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQRKPGDAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSKEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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

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

Per-Residue A4D Scores

Download CSV
Minimum Score -3.4311
Maximum Score 1.5185
Average Score -0.6619
Total Score -282.6499

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

Index Residue Chain A4D Score Classification
1 E H -2.1738 Soluble
2 V H -1.3264 Soluble
3 Q H -1.3531 Soluble
4 L H 0.0000 Buried
5 V H 1.0236 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2342 Soluble
8 G H -0.9836 Soluble
9 G H -0.5754 Soluble
11 G H -0.3080 Soluble
12 L H -0.1604 Soluble
13 V H 0.0000 Buried
14 Q H -1.6394 Soluble
15 P H -1.7080 Soluble
16 G H -1.3832 Soluble
17 G H 0.0000 Buried
18 S H -1.2320 Soluble
19 L H -1.2119 Soluble
20 R H -2.1019 Soluble
21 L H 0.0000 Buried
22 S H -0.3196 Soluble
23 C H 0.0000 Buried
24 A H -0.0823 Soluble
25 A H 0.0000 Buried
26 S H -0.8345 Soluble
27 G H -1.3201 Soluble
28 F H -0.7255 Soluble
29 T H -0.6180 Soluble
30 F H 0.0000 Buried
35 T H -1.7475 Soluble
36 D H -1.7402 Soluble
37 Y H -0.3811 Soluble
38 T H -0.2014 Soluble
39 M H 0.0000 Buried
40 D H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.2941 Soluble
44 Y H -0.3410 Soluble
45 A H 0.0000 Buried
46 P H -0.9737 Soluble
47 G H -1.5791 Soluble
48 K H -2.2795 Soluble
49 G H -1.4448 Soluble
50 L H 0.0000 Buried
51 E H -0.8265 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 D H 0.0000 Buried
56 V H 0.0000 Buried
57 N H -0.9258 Soluble
58 P H 0.0000 Buried
59 N H -2.2222 Soluble
62 S H -1.1339 Soluble
63 G H -1.1952 Soluble
64 G H -0.5031 Soluble
65 S H 0.4527 Aggregation-prone
66 I H 1.5185 Aggregation-prone
67 Y H 0.3062 Aggregation-prone
68 N H 0.0000 Buried
69 Q H -2.3904 Soluble
70 R H -2.9826 Soluble
71 F H 0.0000 Buried
72 K H -2.9116 Soluble
74 G H -1.8967 Soluble
75 R H -1.5388 Soluble
76 F H 0.0000 Buried
77 T H -0.4164 Soluble
78 L H 0.0000 Buried
79 S H -0.3363 Soluble
80 V H -1.1309 Soluble
81 D H -2.0496 Soluble
82 R H -2.7949 Soluble
83 S H -2.0338 Soluble
84 K H -2.6284 Soluble
85 N H -1.9908 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.5439 Soluble
89 L H 0.0000 Buried
90 Q H -1.3268 Soluble
91 M H 0.0000 Buried
92 N H -1.3440 Soluble
93 S H -1.0948 Soluble
94 L H 0.0000 Buried
95 R H -2.2558 Soluble
96 A H -1.6824 Soluble
97 E H -2.2130 Soluble
98 D H 0.0000 Buried
99 T H -0.6733 Soluble
100 A H 0.0000 Buried
101 V H 0.1442 Aggregation-prone
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 N H 0.0000 Buried
108 L H 1.1337 Aggregation-prone
109 G H 0.2045 Aggregation-prone
110 P H 0.3205 Aggregation-prone
112 S H 0.7137 Aggregation-prone
113 F H 0.8393 Aggregation-prone
114 Y H 0.6746 Aggregation-prone
115 F H 0.0000 Buried
116 D H 0.0485 Aggregation-prone
117 Y H 0.0788 Aggregation-prone
118 W H -0.4706 Soluble
119 G H 0.0000 Buried
120 R H -1.9450 Soluble
121 G H 0.0000 Buried
122 T H -0.1237 Soluble
123 L H 0.1045 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4524 Soluble
126 V H 0.0000 Buried
127 S H -0.7948 Soluble
128 S H -0.7605 Soluble
129 A H -0.4678 Soluble
130 S H -0.5677 Soluble
131 T H -0.6263 Soluble
132 K H -1.1747 Soluble
133 G H -1.3316 Soluble
134 P H -0.5847 Soluble
135 S H -0.4676 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2215 Soluble
139 L H 0.0000 Buried
140 A H -0.3909 Soluble
141 P H 0.0117 Aggregation-prone
142 C H -0.0687 Soluble
143 G H -0.7807 Soluble
144 G H -0.8626 Soluble
145 T H -0.6032 Soluble
146 A H -0.3057 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.2779 Soluble
154 D H -0.3465 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.4594 Soluble
159 P H -0.7084 Soluble
160 V H -0.4267 Soluble
161 T H -0.4678 Soluble
162 V H -0.0877 Soluble
163 S H -0.3637 Soluble
164 W H 0.0000 Buried
165 N H -0.7615 Soluble
166 S H -0.6940 Soluble
167 G H -0.5741 Soluble
168 A H -0.2431 Soluble
169 L H 0.0126 Aggregation-prone
170 T H -0.1520 Soluble
171 S H -0.1444 Soluble
172 G H -0.1334 Soluble
173 V H 0.2120 Aggregation-prone
174 H H -0.2822 Soluble
175 T H -0.1523 Soluble
176 F H 0.0000 Buried
177 P H -0.3514 Soluble
178 A H 0.2684 Aggregation-prone
179 V H 0.6747 Aggregation-prone
180 L H 1.4730 Aggregation-prone
181 Q H 0.4509 Aggregation-prone
182 S H -0.0243 Soluble
183 S H -0.1765 Soluble
184 G H 0.0983 Aggregation-prone
185 L H 0.2030 Aggregation-prone
186 Y H 0.5319 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1199 Soluble
194 V H 0.0000 Buried
195 P H -0.5061 Soluble
196 S H -0.5310 Soluble
197 S H -0.6090 Soluble
198 S H -0.5427 Soluble
199 L H -0.6298 Soluble
200 G H -0.9343 Soluble
201 T H -0.7125 Soluble
202 Q H -1.2355 Soluble
203 T H -1.1490 Soluble
204 Y H 0.0000 Buried
205 I H -1.3551 Soluble
206 C H 0.0000 Buried
207 N H -1.4693 Soluble
208 V H 0.0000 Buried
209 N H -1.7434 Soluble
210 H H 0.0000 Buried
211 K H -2.7121 Soluble
212 P H -1.6171 Soluble
213 S H -1.7962 Soluble
214 N H -2.5710 Soluble
215 T H -1.9742 Soluble
216 K H -2.7021 Soluble
217 V H -1.7652 Soluble
218 D H -2.5837 Soluble
219 K H -2.2583 Soluble
220 K H -2.6362 Soluble
221 V H 0.0000 Buried
222 E H -2.4774 Soluble
223 P H -1.1280 Soluble
1 D L -2.0524 Soluble
2 I L 0.0000 Buried
3 Q L -2.2376 Soluble
4 M L 0.0000 Buried
5 T L -1.4055 Soluble
6 Q L 0.0000 Buried
7 S L -0.7098 Soluble
8 P L -0.5857 Soluble
9 S L -0.7775 Soluble
10 S L -0.6444 Soluble
11 L L -0.4555 Soluble
12 S L -0.7204 Soluble
13 A L -0.9528 Soluble
14 S L -0.8271 Soluble
15 V L -0.0488 Soluble
16 G L -0.8657 Soluble
17 D L -1.8830 Soluble
18 R L -2.3258 Soluble
19 V L 0.0000 Buried
20 T L -0.6494 Soluble
21 I L 0.0000 Buried
22 T L -0.8691 Soluble
23 C L 0.0000 Buried
24 K L -2.7190 Soluble
25 A L 0.0000 Buried
26 S L -2.2341 Soluble
27 Q L -2.7193 Soluble
28 D L -2.6768 Soluble
29 V L 0.0000 Buried
36 S L -0.6303 Soluble
37 I L 0.4754 Aggregation-prone
38 G L 0.0000 Buried
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 R L -1.4284 Soluble
45 K L -1.9740 Soluble
46 P L -1.5847 Soluble
47 G L -1.7533 Soluble
48 D L -2.8139 Soluble
49 A L -1.7982 Soluble
50 P L 0.0000 Buried
51 K L -1.4337 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5907 Aggregation-prone
56 S L 0.5458 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.1550 Aggregation-prone
66 Y L 0.7844 Aggregation-prone
67 R L -0.6646 Soluble
68 Y L -0.3453 Soluble
69 T L -0.3788 Soluble
70 G L -0.6748 Soluble
71 V L 0.0000 Buried
72 P L -0.5732 Soluble
74 S L -0.6843 Soluble
75 R L -0.7642 Soluble
76 F L 0.0000 Buried
77 S L -0.4370 Soluble
78 G L -0.2783 Soluble
79 S L -0.4482 Soluble
80 G L -0.8737 Soluble
83 S L -0.9656 Soluble
84 G L -1.6776 Soluble
85 T L -2.2872 Soluble
86 D L -2.7737 Soluble
87 F L 0.0000 Buried
88 T L -0.8477 Soluble
89 L L 0.0000 Buried
90 T L -0.6073 Soluble
91 I L 0.0000 Buried
92 S L -1.3560 Soluble
93 S L -1.1684 Soluble
94 L L 0.0000 Buried
95 Q L -0.8671 Soluble
96 P L -1.4706 Soluble
97 E L -1.5900 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8535 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 Y L 0.0000 Buried
108 Y L 1.4033 Aggregation-prone
109 I L 1.1868 Aggregation-prone
114 Y L 0.8268 Aggregation-prone
115 P L 0.0000 Buried
116 Y L 0.0000 Buried
117 T L -0.3520 Soluble
118 F L -0.3488 Soluble
119 G L 0.0000 Buried
120 Q L -1.8368 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2768 Soluble
124 V L 0.0000 Buried
125 E L -1.1115 Soluble
126 I L 0.0000 Buried
127 K L -1.1441 Soluble
128 R L -0.7115 Soluble
129 T L 0.0569 Aggregation-prone
130 V L 0.5366 Aggregation-prone
131 A L 0.2472 Aggregation-prone
132 A L -0.0238 Soluble
133 P L 0.0000 Buried
134 S L -0.0020 Soluble
135 V L 0.1333 Aggregation-prone
136 F L 0.2094 Aggregation-prone
137 I L 0.2106 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6040 Soluble
140 P L 0.0000 Buried
141 S L -1.5687 Soluble
142 K L -2.8294 Soluble
143 E L -2.9108 Soluble
144 Q L 0.0000 Buried
145 L L -2.2143 Soluble
146 K L -2.7396 Soluble
147 S L -1.7330 Soluble
148 G L -1.1867 Soluble
149 T L -0.8071 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 -0.7935 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6868 Soluble
162 R L -2.9158 Soluble
163 E L -3.2748 Soluble
164 A L -2.3243 Soluble
165 K L -2.3808 Soluble
166 V L -1.2355 Soluble
167 Q L -0.9457 Soluble
168 W L 0.0000 Buried
169 K L -0.7507 Soluble
170 V L 0.0000 Buried
171 D L -1.8626 Soluble
172 N L -1.5699 Soluble
173 A L -0.3480 Soluble
174 L L 0.4303 Aggregation-prone
175 Q L -0.2970 Soluble
176 S L -0.5176 Soluble
177 G L -0.8375 Soluble
178 N L -0.7242 Soluble
179 S L -1.0424 Soluble
180 Q L -1.1353 Soluble
181 E L -2.0098 Soluble
182 S L -0.9603 Soluble
183 V L -0.8236 Soluble
184 T L -1.1388 Soluble
185 E L -2.2692 Soluble
186 Q L 0.0000 Buried
187 D L -2.0573 Soluble
188 S L -2.1939 Soluble
189 K L -2.6465 Soluble
190 D L -2.1162 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 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.3263 Soluble
201 L L -0.5329 Soluble
202 S L -0.8901 Soluble
203 K L -1.8724 Soluble
204 A L -1.6834 Soluble
205 D L -2.1372 Soluble
206 Y L 0.0000 Buried
207 E L -3.3331 Soluble
208 K L -3.4311 Soluble
209 H L -3.0644 Soluble
210 K L -3.3318 Soluble
211 V L -1.7770 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9745 Soluble
216 V L 0.0000 Buried
217 T L -1.2600 Soluble
218 H L 0.0000 Buried
219 Q L -1.5586 Soluble
220 G L -0.3360 Soluble
221 L L -0.2419 Soluble
222 S L -0.4930 Soluble
223 S L -0.4644 Soluble
224 P L -0.5945 Soluble
225 V L -0.0588 Soluble
226 T L -0.4051 Soluble
227 K L -0.5954 Soluble
228 S L -0.7696 Soluble
229 F L 0.0000 Buried
230 N L -2.6227 Soluble
231 R L -2.9531 Soluble
232 G L -2.3432 Soluble
233 E L -2.3668 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
Load structure at specific pH condition
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 -0.6767 2.6129 CSV PDB
4.5 -0.7154 2.6129 CSV PDB
5.0 -0.7612 2.6129 CSV PDB
5.5 -0.8049 2.6129 CSV PDB
6.0 -0.8356 2.6129 CSV PDB
6.5 -0.8455 2.6129 CSV PDB
7.0 -0.8348 2.6129 CSV PDB
7.5 -0.8101 2.6129 CSV PDB
8.0 -0.7774 2.6129 CSV PDB
8.5 -0.7386 2.6127 CSV PDB
9.0 -0.6941 2.6122 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH