Pertuzumab / 5vsh

A4DAB207_5vsh_E_F | Source PDB: 5vsh | Chains: E, F | Done
98.23
Yes
10 Å
Yes
Avg A4D Score
-0.6687
Max Score
1.4374
Min Score
-3.8296
Total Score
-282.84
Score CDR
-0.2398
Score non-CDR
-0.721

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRYAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGRGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQRKPGDAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSKEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) E (Heavy), F (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 -3.8296
Maximum Score 1.4374
Average Score -0.6687
Total Score -282.8405

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

Index Residue Chain A4D Score Classification
1 E E -2.1429 Soluble
2 V E -1.2675 Soluble
3 Q E -1.3892 Soluble
4 L E 0.0000 Buried
5 V E 0.7740 Aggregation-prone
6 E E -0.0885 Soluble
7 S E -0.3789 Soluble
8 G E -0.9905 Soluble
9 G E -0.6299 Soluble
11 G E -0.3337 Soluble
12 L E -0.1559 Soluble
13 V E 0.0000 Buried
14 Q E -1.6813 Soluble
15 P E -1.7684 Soluble
16 G E -1.4219 Soluble
17 G E -1.0946 Soluble
18 S E -1.3355 Soluble
19 L E -1.2970 Soluble
20 R E -2.2513 Soluble
21 L E 0.0000 Buried
22 S E -0.4325 Soluble
23 C E 0.0000 Buried
24 A E -0.2043 Soluble
25 A E 0.0000 Buried
26 S E -0.8591 Soluble
27 G E -1.2812 Soluble
28 F E -0.6751 Soluble
29 T E -0.6152 Soluble
30 F E 0.0000 Buried
35 T E -1.8002 Soluble
36 D E -1.7299 Soluble
37 Y E -0.4345 Soluble
38 T E -0.2135 Soluble
39 M E 0.0000 Buried
40 D E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Y E -0.2846 Soluble
45 A E 0.0000 Buried
46 P E -0.9890 Soluble
47 G E -1.5797 Soluble
48 K E -2.4343 Soluble
49 G E -1.4099 Soluble
50 L E 0.0000 Buried
51 E E -0.4685 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 D E 0.0000 Buried
56 V E 0.0000 Buried
57 N E -1.0692 Soluble
58 P E 0.0000 Buried
59 N E -2.2340 Soluble
62 S E -1.3242 Soluble
63 G E -1.2828 Soluble
64 G E -0.5189 Soluble
65 S E 0.3737 Aggregation-prone
66 I E 1.1168 Aggregation-prone
67 Y E -0.3297 Soluble
68 N E 0.0000 Buried
69 Q E -2.5470 Soluble
70 R E -2.9785 Soluble
71 F E 0.0000 Buried
72 K E -2.7109 Soluble
74 G E -1.9203 Soluble
75 R E -1.8077 Soluble
76 F E 0.0000 Buried
77 T E -0.8710 Soluble
78 L E 0.0000 Buried
79 S E -0.3355 Soluble
80 V E -1.1585 Soluble
81 D E -2.1794 Soluble
82 R E -3.1244 Soluble
83 S E -2.1927 Soluble
84 K E -2.7458 Soluble
85 N E -2.1587 Soluble
86 T E -1.1581 Soluble
87 L E 0.0000 Buried
88 Y E -0.5689 Soluble
89 L E 0.0000 Buried
90 Q E -1.5829 Soluble
91 M E 0.0000 Buried
92 N E -1.3750 Soluble
93 S E -1.1133 Soluble
94 L E 0.0000 Buried
95 R E -2.4384 Soluble
96 A E -1.7810 Soluble
97 E E -2.4447 Soluble
98 D E 0.0000 Buried
99 T E -0.7085 Soluble
100 A E 0.0000 Buried
101 V E 0.0946 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E 0.0000 Buried
107 N E 0.0000 Buried
108 L E 1.1598 Aggregation-prone
109 G E 0.3310 Aggregation-prone
110 P E 0.3529 Aggregation-prone
112 S E 0.7175 Aggregation-prone
113 F E 0.8543 Aggregation-prone
114 Y E 0.6392 Aggregation-prone
115 F E 0.0000 Buried
116 D E -0.0652 Soluble
117 Y E 0.0147 Aggregation-prone
118 W E -0.5516 Soluble
119 G E 0.0000 Buried
120 R E -2.0045 Soluble
121 G E 0.0000 Buried
122 T E -0.2165 Soluble
123 L E 0.0779 Aggregation-prone
124 V E 0.0000 Buried
125 T E -0.5159 Soluble
126 V E 0.0000 Buried
127 S E -0.8338 Soluble
128 S E -0.7538 Soluble
129 A E -0.5177 Soluble
130 S E -0.6302 Soluble
131 T E -0.7517 Soluble
132 K E -1.3009 Soluble
133 G E -1.2388 Soluble
134 P E -0.3729 Soluble
135 S E -0.1869 Soluble
136 V E -0.2924 Soluble
137 F E 0.0000 Buried
138 P E -1.0104 Soluble
139 L E 0.0000 Buried
140 A E -0.5198 Soluble
141 P E -0.3904 Soluble
142 G E -0.6466 Soluble
143 T E -0.4849 Soluble
144 A E -0.2659 Soluble
145 A E 0.0000 Buried
146 L E 0.0000 Buried
147 G E 0.0000 Buried
148 C E 0.0000 Buried
149 L E 0.0000 Buried
150 V E 0.0000 Buried
151 K E 0.0000 Buried
152 D E -0.3402 Soluble
153 Y E 0.0000 Buried
154 F E 0.0000 Buried
155 P E 0.0000 Buried
156 E E -0.4075 Soluble
157 P E -0.6088 Soluble
158 V E -0.4061 Soluble
159 T E -0.5331 Soluble
160 V E -0.2065 Soluble
161 S E -0.4301 Soluble
162 W E 0.0000 Buried
163 N E -0.5019 Soluble
164 S E -0.5271 Soluble
165 G E -0.6380 Soluble
166 A E -0.2678 Soluble
167 L E 0.0011 Aggregation-prone
168 T E -0.1670 Soluble
169 S E -0.3196 Soluble
170 G E -0.1572 Soluble
171 V E 0.2322 Aggregation-prone
172 H E 0.0000 Buried
173 T E -0.1205 Soluble
174 F E 0.0000 Buried
175 P E -0.2977 Soluble
176 A E 0.2831 Aggregation-prone
177 V E 0.6358 Aggregation-prone
178 L E 1.4374 Aggregation-prone
179 Q E 0.4375 Aggregation-prone
180 S E -0.0378 Soluble
181 S E -0.1946 Soluble
182 G E 0.0719 Aggregation-prone
183 L E 0.1361 Aggregation-prone
184 Y E 0.5172 Aggregation-prone
185 S E 0.0000 Buried
186 L E 0.0000 Buried
187 S E 0.0000 Buried
188 S E 0.0000 Buried
189 V E 0.0000 Buried
190 V E 0.0000 Buried
191 T E -0.1005 Soluble
192 V E 0.0000 Buried
193 P E -0.4814 Soluble
194 S E -0.5292 Soluble
195 S E -0.6092 Soluble
196 S E 0.0000 Buried
197 L E -0.8166 Soluble
198 G E -1.0418 Soluble
199 T E -0.7708 Soluble
200 Q E -1.3202 Soluble
201 T E -1.0912 Soluble
202 Y E 0.0000 Buried
203 I E -0.9237 Soluble
204 C E 0.0000 Buried
205 N E -1.2168 Soluble
206 V E 0.0000 Buried
207 N E -1.4611 Soluble
208 H E 0.0000 Buried
209 K E -2.7028 Soluble
210 P E -1.6247 Soluble
211 S E -1.8328 Soluble
212 N E -2.2987 Soluble
213 T E -1.7194 Soluble
214 K E -2.0068 Soluble
215 V E -0.0260 Soluble
216 D E -1.4033 Soluble
217 K E -1.4553 Soluble
218 K E -1.9500 Soluble
219 V E 0.0000 Buried
220 E E -2.2867 Soluble
221 P E -1.2009 Soluble
1 D F -2.0659 Soluble
2 I F 0.0000 Buried
3 Q F -2.2785 Soluble
4 M F 0.0000 Buried
5 T F -1.4054 Soluble
6 Q F 0.0000 Buried
7 S F -0.7089 Soluble
8 P F -0.6059 Soluble
9 S F -0.8208 Soluble
10 S F -0.7254 Soluble
11 L F -0.5130 Soluble
12 S F -0.8178 Soluble
13 A F -0.9764 Soluble
14 S F -0.8597 Soluble
15 V F -0.1196 Soluble
16 G F -0.9455 Soluble
17 D F -1.9171 Soluble
18 R F -2.3902 Soluble
19 V F 0.0000 Buried
20 T F -0.6349 Soluble
21 I F 0.0000 Buried
22 T F -0.8711 Soluble
23 C F 0.0000 Buried
24 K F -2.7424 Soluble
25 A F 0.0000 Buried
26 S F -2.3415 Soluble
27 Q F -2.9245 Soluble
28 D F -2.7766 Soluble
29 V F 0.0000 Buried
36 S F -0.6879 Soluble
37 I F 0.3342 Aggregation-prone
38 G F 0.0000 Buried
39 V F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 R F -1.6150 Soluble
45 K F -2.2258 Soluble
46 P F -1.6361 Soluble
47 G F -1.7538 Soluble
48 D F -2.8583 Soluble
49 A F -1.8823 Soluble
50 P F 0.0000 Buried
51 K F -1.9134 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.5032 Aggregation-prone
56 S F 0.4605 Aggregation-prone
57 A F 0.0000 Buried
65 S F 0.1752 Aggregation-prone
66 Y F 0.8663 Aggregation-prone
67 R F -0.3830 Soluble
68 Y F -0.2514 Soluble
69 T F -0.3025 Soluble
70 G F -0.6294 Soluble
71 V F 0.0000 Buried
72 P F -0.5408 Soluble
74 S F -0.6700 Soluble
75 R F -0.8354 Soluble
76 F F 0.0000 Buried
77 S F -0.4012 Soluble
78 G F -0.2320 Soluble
79 S F -0.4683 Soluble
80 G F -0.8974 Soluble
83 S F -0.9937 Soluble
84 G F -1.7190 Soluble
85 T F -2.3435 Soluble
86 D F -2.8013 Soluble
87 F F 0.0000 Buried
88 T F -0.8399 Soluble
89 L F 0.0000 Buried
90 T F -0.6336 Soluble
91 I F 0.0000 Buried
92 S F -1.5069 Soluble
93 S F -1.2993 Soluble
94 L F 0.0000 Buried
95 Q F -1.0029 Soluble
96 P F -1.5714 Soluble
97 E F -1.7952 Soluble
98 D F 0.0000 Buried
99 F F 0.0000 Buried
100 A F 0.0000 Buried
101 T F -0.9437 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 Y F 0.0000 Buried
108 Y F 1.3722 Aggregation-prone
109 I F 1.2180 Aggregation-prone
114 Y F 0.9391 Aggregation-prone
115 P F 0.0000 Buried
116 Y F 0.0000 Buried
117 T F -0.3416 Soluble
118 F F -0.3507 Soluble
119 G F 0.0000 Buried
120 Q F -1.8290 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.4226 Soluble
124 V F 0.0000 Buried
125 E F -1.2311 Soluble
126 I F 0.0000 Buried
127 K F -1.1625 Soluble
128 R F -0.7079 Soluble
129 T F 0.0623 Aggregation-prone
130 V F 0.5240 Aggregation-prone
131 A F 0.2445 Aggregation-prone
132 A F -0.0258 Soluble
133 P F 0.0000 Buried
134 S F 0.0185 Aggregation-prone
135 V F 0.1725 Aggregation-prone
136 F F 0.2445 Aggregation-prone
137 I F 0.1490 Aggregation-prone
138 F F 0.0000 Buried
139 P F -0.7859 Soluble
140 P F -0.8516 Soluble
141 S F -1.5577 Soluble
142 K F -2.8528 Soluble
143 E F -2.9814 Soluble
144 Q F 0.0000 Buried
145 L F -2.0057 Soluble
146 K F -2.7514 Soluble
147 S F -1.7434 Soluble
148 G F -1.1616 Soluble
149 T F -0.9024 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.7596 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.6848 Soluble
162 R F -2.9234 Soluble
163 E F -3.2697 Soluble
164 A F -2.3066 Soluble
165 K F -2.2917 Soluble
166 V F -1.0977 Soluble
167 Q F -0.6367 Soluble
168 W F 0.0000 Buried
169 K F -0.5472 Soluble
170 V F 0.0000 Buried
171 D F -1.7650 Soluble
172 N F -1.3582 Soluble
173 A F -0.2919 Soluble
174 L F 0.7769 Aggregation-prone
175 Q F -0.0925 Soluble
176 S F -0.4166 Soluble
177 G F -0.8877 Soluble
178 N F -0.8184 Soluble
179 S F -1.0267 Soluble
180 Q F -1.0620 Soluble
181 E F -1.9595 Soluble
182 S F -0.9414 Soluble
183 V F -0.8041 Soluble
184 T F -1.0980 Soluble
185 E F -2.2320 Soluble
186 Q F 0.0000 Buried
187 D F -1.9475 Soluble
188 S F -2.1227 Soluble
189 K F -2.6607 Soluble
190 D F -2.1457 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.5789 Soluble
199 L F 0.0000 Buried
200 T F -0.3964 Soluble
201 L F -0.7130 Soluble
202 S F -1.1763 Soluble
203 K F -2.3529 Soluble
204 A F -2.0557 Soluble
205 D F -2.4593 Soluble
206 Y F 0.0000 Buried
207 E F -3.8296 Soluble
208 K F -3.5536 Soluble
209 H F -2.9352 Soluble
210 K F -3.2145 Soluble
211 V F -1.6325 Soluble
212 Y F 0.0000 Buried
213 A F -0.6359 Soluble
214 C F 0.0000 Buried
215 E F -0.8091 Soluble
216 V F 0.0000 Buried
217 T F -1.1683 Soluble
218 H F 0.0000 Buried
219 Q F -1.5607 Soluble
220 G F -0.3415 Soluble
221 L F -0.2396 Soluble
222 S F -0.4869 Soluble
223 S F -0.4605 Soluble
224 P F -0.5967 Soluble
225 V F -0.0225 Soluble
226 T F -0.3948 Soluble
227 K F -0.5165 Soluble
228 S F -0.7348 Soluble
229 F F -1.1554 Soluble
230 N F -2.3214 Soluble
231 R F -3.0483 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 -0.7274 2.6264 CSV PDB
4.5 -0.7665 2.6264 CSV PDB
5.0 -0.8124 2.6264 CSV PDB
5.5 -0.8555 2.6264 CSV PDB
6.0 -0.8844 2.6264 CSV PDB
6.5 -0.8912 2.6264 CSV PDB
7.0 -0.8766 2.6264 CSV PDB
7.5 -0.8478 2.6264 CSV PDB
8.0 -0.8113 2.6264 CSV PDB
8.5 -0.769 2.6262 CSV PDB
9.0 -0.7211 2.6255 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH