Pertuzumab / 1s78

A4DAB207_1s78_D_C | Source PDB: 1s78 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7056
Max Score
1.978
Min Score
-3.9646
Total Score
-307.64
Score CDR
-0.1865
Score non-CDR
-0.7668

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.9646
Maximum Score 1.978
Average Score -0.7056
Total Score -307.6371

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

Index Residue Chain A4D Score Classification
1 E D -2.1038 Soluble
2 V D -1.2425 Soluble
3 Q D -1.1517 Soluble
4 L D 0.0000 Buried
5 V D 0.8575 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.3851 Soluble
8 G D -0.9650 Soluble
9 G D -0.4909 Soluble
11 G D -0.2485 Soluble
12 L D 0.0881 Aggregation-prone
13 V D -0.6695 Soluble
14 Q D -1.6876 Soluble
15 P D -1.7458 Soluble
16 G D -1.5877 Soluble
17 G D -1.1952 Soluble
18 S D -1.1305 Soluble
19 L D -1.0758 Soluble
20 R D -2.1033 Soluble
21 L D 0.0000 Buried
22 S D -0.3599 Soluble
23 C D 0.0000 Buried
24 A D -0.3691 Soluble
25 A D 0.0000 Buried
26 S D -1.0128 Soluble
27 G D -1.2297 Soluble
28 F D -0.7127 Soluble
29 T D -0.6096 Soluble
30 F D 0.0000 Buried
35 T D -1.5178 Soluble
36 D D -1.8722 Soluble
37 Y D -0.8078 Soluble
38 T D -0.6437 Soluble
39 M D 0.0000 Buried
40 D D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.6275 Soluble
45 A D -1.0862 Soluble
46 P D -0.9304 Soluble
47 G D -1.4578 Soluble
48 K D -2.3622 Soluble
49 G D -1.5685 Soluble
50 L D 0.0000 Buried
51 E D -0.7698 Soluble
52 W D 0.0000 Buried
53 V D 0.0000 Buried
54 A D 0.0000 Buried
55 D D 0.0000 Buried
56 V D 0.0000 Buried
57 N D -0.9640 Soluble
58 P D 0.0000 Buried
59 N D -2.0115 Soluble
62 S D -1.1647 Soluble
63 G D -1.2463 Soluble
64 G D -0.4825 Soluble
65 S D 0.3926 Aggregation-prone
66 I D 1.3515 Aggregation-prone
67 Y D 0.2847 Aggregation-prone
68 N D -0.8974 Soluble
69 Q D -2.0797 Soluble
70 R D -2.7275 Soluble
71 F D 0.0000 Buried
72 K D -2.7169 Soluble
74 G D -1.8468 Soluble
75 R D -1.6116 Soluble
76 F D 0.0000 Buried
77 T D -0.7688 Soluble
78 L D -0.0306 Soluble
79 S D -0.4261 Soluble
80 V D -1.1490 Soluble
81 D D -1.9262 Soluble
82 R D -2.6939 Soluble
83 S D -1.9958 Soluble
84 K D -2.6370 Soluble
85 N D -1.9894 Soluble
86 T D 0.0000 Buried
87 L D 0.0000 Buried
88 Y D -0.4873 Soluble
89 L D 0.0000 Buried
90 Q D -1.2048 Soluble
91 M D 0.0000 Buried
92 N D -1.5844 Soluble
93 S D -1.4794 Soluble
94 L D 0.0000 Buried
95 R D -2.8799 Soluble
96 A D -1.9747 Soluble
97 E D -2.3506 Soluble
98 D D 0.0000 Buried
99 T D -0.7567 Soluble
100 A D 0.0000 Buried
101 V D 0.3515 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 N D 0.0000 Buried
108 L D 0.0643 Aggregation-prone
109 G D -0.0950 Soluble
110 P D -0.3993 Soluble
112 S D 0.2332 Aggregation-prone
113 F D 0.6009 Aggregation-prone
114 Y D 0.0000 Buried
115 F D 0.0000 Buried
116 D D 0.0000 Buried
117 Y D -0.0241 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.2998 Soluble
121 G D -0.4578 Soluble
122 T D 0.0000 Buried
123 L D 0.3432 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -0.8078 Soluble
128 S D -0.8328 Soluble
129 A D -0.5103 Soluble
130 S D -0.6388 Soluble
131 T D -0.6381 Soluble
132 K D -1.2025 Soluble
133 G D -1.3483 Soluble
134 P D 0.0000 Buried
135 S D -0.2958 Soluble
136 V D 0.0000 Buried
137 F D -0.7642 Soluble
138 P D -1.2153 Soluble
139 L D 0.0000 Buried
140 A D -0.9410 Soluble
141 P D 0.0000 Buried
142 S D -0.7980 Soluble
143 S D -1.0660 Soluble
144 K D -2.0405 Soluble
145 S D -1.2827 Soluble
146 T D -1.0711 Soluble
147 S D -0.8390 Soluble
148 G D -0.7527 Soluble
149 G D -0.7410 Soluble
150 T D -0.5736 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.4611 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.7646 Soluble
164 P D -1.0607 Soluble
165 V D 0.0000 Buried
166 T D -0.6681 Soluble
167 V D -0.5977 Soluble
168 S D -0.3049 Soluble
169 W D 0.0000 Buried
170 N D -0.7832 Soluble
171 S D -0.7101 Soluble
172 G D -0.6080 Soluble
173 A D -0.2295 Soluble
174 L D -0.0197 Soluble
175 T D -0.1173 Soluble
176 S D -0.1669 Soluble
177 G D -0.1694 Soluble
178 V D 0.2059 Aggregation-prone
179 H D -0.2530 Soluble
180 T D -0.2018 Soluble
181 F D 0.0000 Buried
182 P D -0.3419 Soluble
183 A D 0.1353 Aggregation-prone
184 V D 0.5193 Aggregation-prone
185 L D 1.0804 Aggregation-prone
186 Q D 0.1755 Aggregation-prone
187 S D -0.0942 Soluble
188 S D -0.2002 Soluble
189 G D 0.0386 Aggregation-prone
190 L D 0.0415 Aggregation-prone
191 Y D 0.2696 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1189 Soluble
199 V D 0.0000 Buried
200 P D -0.3997 Soluble
201 S D -0.4728 Soluble
202 S D -0.4257 Soluble
203 S D -0.5148 Soluble
204 L D -0.6502 Soluble
205 G D -1.0457 Soluble
206 T D -1.0138 Soluble
207 Q D -1.4758 Soluble
208 T D -1.3298 Soluble
209 Y D 0.0000 Buried
210 I D -1.4909 Soluble
211 C D 0.0000 Buried
212 N D -1.6319 Soluble
213 V D 0.0000 Buried
214 N D -2.1992 Soluble
215 H D 0.0000 Buried
216 K D -2.7461 Soluble
217 P D -1.6718 Soluble
218 S D -1.9140 Soluble
219 N D -2.3606 Soluble
220 T D -2.1607 Soluble
221 K D -2.6940 Soluble
222 V D -1.4282 Soluble
223 D D -2.6300 Soluble
224 K D -2.3336 Soluble
225 K D -2.7071 Soluble
226 V D 0.0000 Buried
227 E D -2.7144 Soluble
228 P D -1.3955 Soluble
229 K D -1.3983 Soluble
230 S D -0.6418 Soluble
231 C D -0.2803 Soluble
1 D C -1.9077 Soluble
2 I C -1.4710 Soluble
3 Q C -2.0355 Soluble
4 M C 0.0000 Buried
5 T C -1.2637 Soluble
6 Q C 0.0000 Buried
7 S C -0.8090 Soluble
8 P C -0.6106 Soluble
9 S C -0.9947 Soluble
10 S C -1.0362 Soluble
11 L C -0.6371 Soluble
12 S C -0.8467 Soluble
13 A C 0.0000 Buried
14 S C -0.6607 Soluble
15 V C -0.1240 Soluble
16 G C -0.8053 Soluble
17 D C -1.6185 Soluble
18 R C -2.3248 Soluble
19 V C 0.0000 Buried
20 T C -0.6046 Soluble
21 I C 0.0000 Buried
22 T C -0.7941 Soluble
23 C C 0.0000 Buried
24 K C -2.2454 Soluble
25 A C 0.0000 Buried
26 S C -2.0895 Soluble
27 Q C -2.7205 Soluble
28 D C -2.3730 Soluble
29 V C 0.0000 Buried
36 S C -0.1359 Soluble
37 I C 1.0277 Aggregation-prone
38 G C 0.0000 Buried
39 V C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -1.7762 Soluble
46 P C -1.5095 Soluble
47 G C -1.7217 Soluble
48 K C -2.5922 Soluble
49 A C -1.5929 Soluble
50 P C 0.0000 Buried
51 K C -1.3317 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.7022 Aggregation-prone
56 S C 0.8513 Aggregation-prone
57 A C 0.0000 Buried
65 S C 0.3347 Aggregation-prone
66 Y C 0.7591 Aggregation-prone
67 R C -0.6199 Soluble
68 Y C -0.2617 Soluble
69 T C -0.3516 Soluble
70 G C -0.7217 Soluble
71 V C 0.0000 Buried
72 P C -0.6402 Soluble
74 S C -0.7485 Soluble
75 R C -0.9688 Soluble
76 F C 0.0000 Buried
77 S C -0.4086 Soluble
78 G C 0.0000 Buried
79 S C -0.4115 Soluble
80 G C -0.8548 Soluble
83 S C -0.8290 Soluble
84 G C -1.5109 Soluble
85 T C -2.1552 Soluble
86 D C -2.7478 Soluble
87 F C 0.0000 Buried
88 T C -0.8037 Soluble
89 L C 0.0000 Buried
90 T C -0.6114 Soluble
91 I C 0.0000 Buried
92 S C -1.2866 Soluble
93 S C -1.2861 Soluble
94 L C 0.0000 Buried
95 Q C -1.3047 Soluble
96 P C -1.0305 Soluble
97 E C -1.9585 Soluble
98 D C 0.0000 Buried
99 F C -0.7588 Soluble
100 A C 0.0000 Buried
101 T C 0.0000 Buried
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 Y C 1.4640 Aggregation-prone
108 Y C 1.9780 Aggregation-prone
109 I C 1.4515 Aggregation-prone
114 Y C 1.2902 Aggregation-prone
115 P C 0.4324 Aggregation-prone
116 Y C 0.5311 Aggregation-prone
117 T C -0.2190 Soluble
118 F C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.7962 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -1.8756 Soluble
124 V C 0.0000 Buried
125 E C -1.0555 Soluble
126 I C -0.5832 Soluble
127 K C -1.1823 Soluble
128 R C -0.8457 Soluble
129 T C 0.1976 Aggregation-prone
130 V C 1.1869 Aggregation-prone
131 A C 0.5021 Aggregation-prone
132 A C 0.0821 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2647 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.4904 Soluble
140 P C 0.0000 Buried
141 S C 0.0000 Buried
142 D C -2.6211 Soluble
143 E C -2.3707 Soluble
144 Q C 0.0000 Buried
145 L C -1.7094 Soluble
146 K C -2.4616 Soluble
147 S C -1.4760 Soluble
148 G C -1.1362 Soluble
149 T C -0.9305 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.5687 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.6868 Soluble
162 R C -3.0395 Soluble
163 E C -3.3300 Soluble
164 A C -2.3641 Soluble
165 K C -2.4195 Soluble
166 V C -1.0807 Soluble
167 Q C -1.2435 Soluble
168 W C 0.0000 Buried
169 K C -1.2882 Soluble
170 V C -1.3773 Soluble
171 D C -2.2287 Soluble
172 N C -1.8606 Soluble
173 A C -0.9647 Soluble
174 L C -0.7746 Soluble
175 Q C -1.5328 Soluble
176 S C -1.2186 Soluble
177 G C -1.2642 Soluble
178 N C -1.1387 Soluble
179 S C -1.4510 Soluble
180 Q C -1.6707 Soluble
181 E C -2.0249 Soluble
182 S C -0.9195 Soluble
183 V C -0.9507 Soluble
184 T C -1.1813 Soluble
185 E C -2.0740 Soluble
186 Q C -1.9148 Soluble
187 D C -1.7458 Soluble
188 S C -1.6174 Soluble
189 K C -2.2506 Soluble
190 D C -1.8192 Soluble
191 S C -1.7385 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6750 Soluble
199 L C 0.0000 Buried
200 T C -0.2886 Soluble
201 L C -0.4640 Soluble
202 S C -1.1600 Soluble
203 K C -2.1523 Soluble
204 A C -2.0053 Soluble
205 D C -3.1223 Soluble
206 Y C 0.0000 Buried
207 E C -3.9420 Soluble
208 K C -3.9646 Soluble
209 H C -3.5782 Soluble
210 K C -3.2968 Soluble
211 V C -1.6280 Soluble
212 Y C 0.0000 Buried
213 A C -0.6848 Soluble
214 C C 0.0000 Buried
215 E C -0.6880 Soluble
216 V C 0.0000 Buried
217 T C -1.1545 Soluble
218 H C 0.0000 Buried
219 Q C -1.7776 Soluble
220 G C -0.4989 Soluble
221 L C -0.1245 Soluble
222 S C -0.4195 Soluble
223 S C -0.3620 Soluble
224 P C -0.4086 Soluble
225 V C 0.0848 Aggregation-prone
226 T C -0.4243 Soluble
227 K C -1.1773 Soluble
228 S C -0.9752 Soluble
229 F C 0.0000 Buried
230 N C -1.7835 Soluble
231 R C -2.7017 Soluble
232 G C -2.1725 Soluble
233 E C -2.2144 Soluble
234 C C -1.0036 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
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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 -0.7264 2.5352 CSV PDB
4.5 -0.7673 2.4853 CSV PDB
5.0 -0.8152 2.4311 CSV PDB
5.5 -0.8601 2.3753 CSV PDB
6.0 -0.8909 2.319 CSV PDB
6.5 -0.899 2.2627 CSV PDB
7.0 -0.8852 2.2067 CSV PDB
7.5 -0.8576 2.152 CSV PDB
8.0 -0.8231 2.1006 CSV PDB
8.5 -0.7835 2.0571 CSV PDB
9.0 -0.7381 2.0251 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH