Pertuzumab / 8q6j

A4DAB207_8q6j_D_C | Source PDB: 8q6j | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6572
Max Score
2.1385
Min Score
-3.6193
Total Score
-286.55
Score CDR
-0.1468
Score non-CDR
-0.7174

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 -3.6193
Maximum Score 2.1385
Average Score -0.6572
Total Score -286.549

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

Index Residue Chain A4D Score Classification
1 E D -2.0997 Soluble
2 V D -1.0525 Soluble
3 Q D -1.1260 Soluble
4 L D 0.0000 Buried
5 V D 1.1724 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.2553 Soluble
8 G D -0.8377 Soluble
9 G D -0.1583 Soluble
11 G D 0.2910 Aggregation-prone
12 L D 0.9495 Aggregation-prone
13 V D -0.0726 Soluble
14 Q D -1.3987 Soluble
15 P D -1.8643 Soluble
16 G D -1.7728 Soluble
17 G D -1.2166 Soluble
18 S D -1.3312 Soluble
19 L D -1.2808 Soluble
20 R D -2.2921 Soluble
21 L D 0.0000 Buried
22 S D -0.5111 Soluble
23 C D 0.0000 Buried
24 A D -0.1373 Soluble
25 A D 0.0000 Buried
26 S D -0.8636 Soluble
27 G D -1.1789 Soluble
28 F D -0.7221 Soluble
29 T D -0.5765 Soluble
30 F D 0.0000 Buried
35 T D -1.5496 Soluble
36 D D -1.8695 Soluble
37 Y D -0.7467 Soluble
38 T D -0.6637 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 -0.7087 Soluble
45 A D -1.0370 Soluble
46 P D -0.8330 Soluble
47 G D -1.4635 Soluble
48 K D -2.3972 Soluble
49 G D -1.6901 Soluble
50 L D 0.0000 Buried
51 E D -1.2555 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 -0.9825 Soluble
58 P D 0.0000 Buried
59 N D -2.0059 Soluble
62 S D -1.0972 Soluble
63 G D -1.1075 Soluble
64 G D -0.4192 Soluble
65 S D 0.2012 Aggregation-prone
66 I D 1.0328 Aggregation-prone
67 Y D -0.0231 Soluble
68 N D 0.0000 Buried
69 Q D -2.0589 Soluble
70 R D -2.7960 Soluble
71 F D 0.0000 Buried
72 K D -2.5738 Soluble
74 G D -1.9875 Soluble
75 R D -1.7702 Soluble
76 F D 0.0000 Buried
77 T D -0.8018 Soluble
78 L D 0.0000 Buried
79 S D -0.3475 Soluble
80 V D -1.0355 Soluble
81 D D -1.7984 Soluble
82 R D -2.8295 Soluble
83 S D -2.1086 Soluble
84 K D -2.7651 Soluble
85 N D -2.2595 Soluble
86 T D -1.1919 Soluble
87 L D 0.0000 Buried
88 Y D -0.5265 Soluble
89 L D 0.0000 Buried
90 Q D -1.4782 Soluble
91 M D 0.0000 Buried
92 N D -1.8834 Soluble
93 S D -1.3952 Soluble
94 L D 0.0000 Buried
95 R D -2.9329 Soluble
96 A D -2.0480 Soluble
97 E D -2.4040 Soluble
98 D D 0.0000 Buried
99 T D -0.3824 Soluble
100 A D 0.0000 Buried
101 V D 0.4934 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 0.2729 Aggregation-prone
109 G D -0.1291 Soluble
110 P D -0.3539 Soluble
112 S D 0.2057 Aggregation-prone
113 F D 0.4897 Aggregation-prone
114 Y D 0.4416 Aggregation-prone
115 F D 0.0000 Buried
116 D D -0.0834 Soluble
117 Y D 0.0247 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.2207 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 L D 1.2955 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.3026 Aggregation-prone
126 V D 0.0000 Buried
127 S D -0.8679 Soluble
128 S D -0.5352 Soluble
129 A D -0.3684 Soluble
130 S D -0.3552 Soluble
131 T D -0.6197 Soluble
132 K D -0.9747 Soluble
133 G D -1.3696 Soluble
134 P D -0.6783 Soluble
135 S D -0.3099 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -0.8581 Soluble
139 L D 0.0000 Buried
140 A D -0.6335 Soluble
141 P D 0.0000 Buried
142 S D 0.0000 Buried
143 S D -1.1996 Soluble
144 K D -2.0127 Soluble
145 S D -0.9074 Soluble
146 T D -0.9547 Soluble
147 S D -0.9693 Soluble
148 G D -1.0536 Soluble
149 G D -0.9549 Soluble
150 T D -0.6848 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 -0.1421 Soluble
159 D D -0.3427 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D -0.9237 Soluble
163 E D -1.3076 Soluble
164 P D -1.2651 Soluble
165 V D -1.0900 Soluble
166 T D -0.7080 Soluble
167 V D -0.3203 Soluble
168 S D -0.3618 Soluble
169 W D 0.0000 Buried
170 N D -0.7067 Soluble
171 S D -0.5961 Soluble
172 G D -0.4680 Soluble
173 A D -0.1845 Soluble
174 L D -0.0043 Soluble
175 T D -0.1737 Soluble
176 S D -0.2337 Soluble
177 G D -0.2743 Soluble
178 V D 0.2173 Aggregation-prone
179 H D -0.0603 Soluble
180 T D 0.0549 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.0862 Soluble
183 A D 0.2754 Aggregation-prone
184 V D 0.7331 Aggregation-prone
185 L D 1.5467 Aggregation-prone
186 Q D 0.4907 Aggregation-prone
187 S D 0.0166 Aggregation-prone
188 S D -0.0396 Soluble
189 G D 0.2416 Aggregation-prone
190 L D 0.0672 Aggregation-prone
191 Y D 0.3947 Aggregation-prone
192 S D 0.3676 Aggregation-prone
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 -0.1917 Soluble
199 V D 0.0000 Buried
200 P D -0.6444 Soluble
201 S D -0.7071 Soluble
202 S D -0.6116 Soluble
203 S D -0.6175 Soluble
204 L D -0.5092 Soluble
205 G D -0.7542 Soluble
206 T D -0.7173 Soluble
207 Q D -0.9883 Soluble
208 T D -0.8248 Soluble
209 Y D 0.0000 Buried
210 I D -1.1890 Soluble
211 C D 0.0000 Buried
212 N D -1.5280 Soluble
213 V D 0.0000 Buried
214 N D -2.1662 Soluble
215 H D 0.0000 Buried
216 K D -3.0051 Soluble
217 P D -1.8253 Soluble
218 S D -1.8744 Soluble
219 N D -2.7019 Soluble
220 T D -2.0575 Soluble
221 K D -2.7218 Soluble
222 V D -1.4673 Soluble
223 D D -2.4332 Soluble
224 K D -1.9531 Soluble
225 K D -2.5398 Soluble
226 V D 0.0000 Buried
227 E D -1.6799 Soluble
228 P D -1.3248 Soluble
229 K D -2.1463 Soluble
230 S D -1.2190 Soluble
231 C D -1.3076 Soluble
1 D C -1.9772 Soluble
2 I C 0.0000 Buried
3 Q C -2.1851 Soluble
4 M C 0.0000 Buried
5 T C -1.0135 Soluble
6 Q C 0.0000 Buried
7 S C -0.6818 Soluble
8 P C -0.4364 Soluble
9 S C -0.6524 Soluble
10 S C -0.8432 Soluble
11 L C -0.3029 Soluble
12 S C -0.7275 Soluble
13 A C 0.0000 Buried
14 S C -1.0957 Soluble
15 V C -0.7732 Soluble
16 G C -1.4945 Soluble
17 D C -2.7938 Soluble
18 R C -2.7037 Soluble
19 V C -1.1991 Soluble
20 T C -0.3906 Soluble
21 I C 0.0000 Buried
22 T C -0.6117 Soluble
23 C C 0.0000 Buried
24 K C -1.9490 Soluble
25 A C -1.8757 Soluble
26 S C -2.0204 Soluble
27 Q C -2.5859 Soluble
28 D C -2.3838 Soluble
29 V C 0.0000 Buried
36 S C 0.3004 Aggregation-prone
37 I C 1.8167 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 -0.7460 Soluble
44 Q C 0.0000 Buried
45 K C -1.8141 Soluble
46 P C -1.4763 Soluble
47 G C -1.7558 Soluble
48 K C -2.6176 Soluble
49 A C -1.6819 Soluble
50 P C 0.0000 Buried
51 K C -1.4742 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.9229 Aggregation-prone
56 S C 0.9550 Aggregation-prone
57 A C 0.0000 Buried
65 S C 0.5696 Aggregation-prone
66 Y C 1.0367 Aggregation-prone
67 R C -0.0257 Soluble
68 Y C -0.0421 Soluble
69 T C -0.2208 Soluble
70 G C -0.6048 Soluble
71 V C 0.0000 Buried
72 P C -0.6100 Soluble
74 S C -0.7460 Soluble
75 R C -0.8243 Soluble
76 F C 0.0000 Buried
77 S C -0.2119 Soluble
78 G C 0.0000 Buried
79 S C -0.2032 Soluble
80 G C -0.6606 Soluble
83 S C -0.5378 Soluble
84 G C -1.1205 Soluble
85 T C -1.6725 Soluble
86 D C -1.8408 Soluble
87 F C 0.0000 Buried
88 T C -0.5991 Soluble
89 L C 0.0000 Buried
90 T C -0.5768 Soluble
91 I C 0.0000 Buried
92 S C -1.5788 Soluble
93 S C -1.5802 Soluble
94 L C 0.0000 Buried
95 Q C -1.2539 Soluble
96 P C -1.0955 Soluble
97 E C -1.9920 Soluble
98 D C 0.0000 Buried
99 F C -0.5798 Soluble
100 A C 0.0000 Buried
101 T C -0.6611 Soluble
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 1.6057 Aggregation-prone
108 Y C 2.1385 Aggregation-prone
109 I C 1.6542 Aggregation-prone
114 Y C 0.9777 Aggregation-prone
115 P C 0.0000 Buried
116 Y C 0.4975 Aggregation-prone
117 T C -0.4486 Soluble
118 F C 0.0000 Buried
119 G C -1.0492 Soluble
120 Q C -1.5817 Soluble
121 G C -1.1531 Soluble
122 T C 0.0000 Buried
123 K C -0.8649 Soluble
124 V C 0.0000 Buried
125 E C 0.0000 Buried
126 I C -0.5411 Soluble
127 K C -1.6465 Soluble
128 R C -1.4880 Soluble
129 T C -0.3579 Soluble
130 V C 0.0754 Aggregation-prone
131 A C 0.1322 Aggregation-prone
132 A C 0.0287 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2595 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 -0.5937 Soluble
140 P C 0.0000 Buried
141 S C -1.2742 Soluble
142 D C -2.5826 Soluble
143 E C -2.1380 Soluble
144 Q C 0.0000 Buried
145 L C 0.0000 Buried
146 K C -2.6987 Soluble
147 S C -1.7723 Soluble
148 G C -1.5931 Soluble
149 T C -1.2756 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 -0.4891 Soluble
158 N C -0.8826 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C 0.0000 Buried
162 R C -2.4783 Soluble
163 E C -3.0494 Soluble
164 A C 0.0000 Buried
165 K C -2.5830 Soluble
166 V C -1.3307 Soluble
167 Q C -0.6752 Soluble
168 W C 0.0000 Buried
169 K C -0.3118 Soluble
170 V C -0.3222 Soluble
171 D C -0.8387 Soluble
172 N C -1.0117 Soluble
173 A C -0.1333 Soluble
174 L C 0.4781 Aggregation-prone
175 Q C -0.8285 Soluble
176 S C -0.9694 Soluble
177 G C -1.2067 Soluble
178 N C -1.3842 Soluble
179 S C -1.3141 Soluble
180 Q C -1.0950 Soluble
181 E C -1.8861 Soluble
182 S C -0.7890 Soluble
183 V C -0.4718 Soluble
184 T C -0.8404 Soluble
185 E C -2.2111 Soluble
186 Q C -1.9592 Soluble
187 D C -2.3755 Soluble
188 S C -2.0803 Soluble
189 K C -2.7400 Soluble
190 D C -2.7492 Soluble
191 S C -2.3154 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 -0.5389 Soluble
199 L C -0.4428 Soluble
200 T C -0.4023 Soluble
201 L C -0.4212 Soluble
202 S C -0.9822 Soluble
203 K C -1.7302 Soluble
204 A C -1.6089 Soluble
205 D C -2.1911 Soluble
206 Y C 0.0000 Buried
207 E C -3.6193 Soluble
208 K C -3.5402 Soluble
209 H C -3.0798 Soluble
210 K C -2.6018 Soluble
211 V C -0.7648 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C 0.0000 Buried
216 V C 0.0000 Buried
217 T C -1.1798 Soluble
218 H C -1.4883 Soluble
219 Q C -1.2858 Soluble
220 G C -0.2454 Soluble
221 L C 0.3452 Aggregation-prone
222 S C -0.2629 Soluble
223 S C -0.3053 Soluble
224 P C -0.2647 Soluble
225 V C 0.1996 Aggregation-prone
226 T C -0.2576 Soluble
227 K C -0.4693 Soluble
228 S C -0.5525 Soluble
229 F C -0.8368 Soluble
230 N C 0.0000 Buried
231 R C -1.9254 Soluble
232 G C -1.6958 Soluble
233 E C -2.4659 Soluble
234 C C -1.4987 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 -0.6701 2.6525 CSV PDB
4.5 -0.7074 2.6105 CSV PDB
5.0 -0.7507 2.5647 CSV PDB
5.5 -0.791 2.5174 CSV PDB
6.0 -0.8178 2.4697 CSV PDB
6.5 -0.8228 2.4219 CSV PDB
7.0 -0.8062 2.3744 CSV PDB
7.5 -0.7757 2.3277 CSV PDB
8.0 -0.738 2.2836 CSV PDB
8.5 -0.6951 2.2449 CSV PDB
9.0 -0.6468 2.2133 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH