Pertuzumab / 1l7i

A4DAB207_1l7i_H_L | Source PDB: 1l7i | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.691
Max Score
1.6
Min Score
-3.5342
Total Score
-301.27
Score CDR
-0.2476
Score non-CDR
-0.7433

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.5342
Maximum Score 1.6
Average Score -0.691
Total Score -301.2717

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

Index Residue Chain A4D Score Classification
1 E H -2.0435 Soluble
2 V H -1.1147 Soluble
3 Q H -1.2870 Soluble
4 L H 0.0000 Buried
5 V H 0.5198 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4473 Soluble
8 G H -0.8555 Soluble
9 G H -0.3701 Soluble
11 G H -0.4023 Soluble
12 L H -0.0438 Soluble
13 V H -0.5910 Soluble
14 Q H -1.5672 Soluble
15 P H -1.6236 Soluble
16 G H -1.4326 Soluble
17 G H -1.0950 Soluble
18 S H -1.0598 Soluble
19 L H -1.0083 Soluble
20 R H -2.0527 Soluble
21 L H 0.0000 Buried
22 S H -0.4644 Soluble
23 C H 0.0000 Buried
24 A H -0.4241 Soluble
25 A H 0.0000 Buried
26 S H -1.0323 Soluble
27 G H -1.1683 Soluble
28 F H -0.7143 Soluble
29 T H -0.6758 Soluble
30 F H 0.0000 Buried
35 T H -1.7350 Soluble
36 D H -1.7399 Soluble
37 Y H -0.5768 Soluble
38 T H -0.4538 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 0.0000 Buried
44 Q H -0.7216 Soluble
45 A H -1.1317 Soluble
46 P H -0.9771 Soluble
47 G H -1.4792 Soluble
48 K H -2.3808 Soluble
49 G H -1.6506 Soluble
50 L H 0.0000 Buried
51 E H -0.6489 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 -1.1210 Soluble
58 P H 0.0000 Buried
59 N H -2.2027 Soluble
62 S H -1.1846 Soluble
63 G H -1.3537 Soluble
64 G H -0.6241 Soluble
65 S H 0.1430 Aggregation-prone
66 I H 0.7437 Aggregation-prone
67 Y H -0.3478 Soluble
68 N H 0.0000 Buried
69 Q H -2.4039 Soluble
70 R H -3.0340 Soluble
71 F H 0.0000 Buried
72 K H -2.7498 Soluble
74 G H -1.9475 Soluble
75 R H -1.7456 Soluble
76 F H 0.0000 Buried
77 T H -0.8265 Soluble
78 L H 0.0000 Buried
79 S H -0.6145 Soluble
80 V H -1.3890 Soluble
81 D H -2.3080 Soluble
82 R H -3.2277 Soluble
83 S H -2.3226 Soluble
84 K H -2.8429 Soluble
85 N H -2.2722 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.3694 Soluble
91 M H 0.0000 Buried
92 N H -1.3864 Soluble
93 S H -1.2467 Soluble
94 L H 0.0000 Buried
95 R H -2.3180 Soluble
96 A H -1.7350 Soluble
97 E H -2.2472 Soluble
98 D H 0.0000 Buried
99 T H -0.7094 Soluble
100 A H 0.0000 Buried
101 V H 0.2695 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 1.0036 Aggregation-prone
109 G H 0.4838 Aggregation-prone
110 P H 0.1681 Aggregation-prone
112 S H 0.5093 Aggregation-prone
113 F H 0.7424 Aggregation-prone
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.3308 Aggregation-prone
118 W H -0.2902 Soluble
119 G H 0.0000 Buried
120 Q H -1.4446 Soluble
121 G H 0.0000 Buried
122 T H 0.0032 Aggregation-prone
123 L H 0.1581 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3790 Soluble
126 V H 0.0000 Buried
127 S H -0.9287 Soluble
128 S H -0.7159 Soluble
129 A H -0.4884 Soluble
130 S H -0.6265 Soluble
131 T H -0.8475 Soluble
132 K H -1.4574 Soluble
133 G H -1.4675 Soluble
134 P H -0.6425 Soluble
135 S H -0.3839 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9801 Soluble
139 L H 0.0000 Buried
140 A H -1.2938 Soluble
141 P H 0.0000 Buried
142 S H 0.0000 Buried
143 S H -0.8497 Soluble
144 K H -0.9783 Soluble
145 S H 0.0000 Buried
146 T H -0.5963 Soluble
147 S H -0.6890 Soluble
148 G H -0.8834 Soluble
149 G H -0.9085 Soluble
150 T H -0.6153 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3926 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4380 Soluble
164 P H -0.7098 Soluble
165 V H -0.7001 Soluble
166 T H -0.5809 Soluble
167 V H -0.4214 Soluble
168 S H -0.3732 Soluble
169 W H 0.0000 Buried
170 N H -0.7049 Soluble
171 S H -0.6461 Soluble
172 G H -0.5579 Soluble
173 A H -0.2346 Soluble
174 L H 0.0270 Aggregation-prone
175 T H -0.1551 Soluble
176 S H -0.1531 Soluble
177 G H -0.1796 Soluble
178 V H 0.1660 Aggregation-prone
179 H H -0.0618 Soluble
180 T H 0.0076 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3158 Soluble
183 A H 0.2407 Aggregation-prone
184 V H 0.5131 Aggregation-prone
185 L H 1.3610 Aggregation-prone
186 Q H 0.2626 Aggregation-prone
187 S H -0.0881 Soluble
188 S H -0.1934 Soluble
189 G H 0.0890 Aggregation-prone
190 L H 0.1521 Aggregation-prone
191 Y H 0.5212 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1544 Soluble
199 V H 0.0000 Buried
200 P H -0.5850 Soluble
201 S H -0.6251 Soluble
202 S H -0.6640 Soluble
203 S H -0.6971 Soluble
204 L H -0.8258 Soluble
205 G H -1.0797 Soluble
206 T H -0.8550 Soluble
207 Q H -1.4518 Soluble
208 T H -1.2316 Soluble
209 Y H 0.0000 Buried
210 I H -1.2379 Soluble
211 C H 0.0000 Buried
212 N H -1.4210 Soluble
213 V H 0.0000 Buried
214 N H -1.9254 Soluble
215 H H 0.0000 Buried
216 K H -2.7791 Soluble
217 P H -1.6521 Soluble
218 S H -1.9095 Soluble
219 N H -2.6323 Soluble
220 T H -2.0873 Soluble
221 K H -2.5970 Soluble
222 V H -1.3305 Soluble
223 D H -2.4321 Soluble
224 K H -1.9267 Soluble
225 K H -2.5042 Soluble
226 V H 0.0000 Buried
227 E H -2.8759 Soluble
228 P H -1.9814 Soluble
229 K H -2.3199 Soluble
230 S H -1.3118 Soluble
231 C H -1.0836 Soluble
1 D L -1.9990 Soluble
2 I L 0.0000 Buried
3 Q L -2.2237 Soluble
4 M L 0.0000 Buried
5 T L -1.4187 Soluble
6 Q L 0.0000 Buried
7 S L -0.8369 Soluble
8 P L -0.5065 Soluble
9 S L -0.8362 Soluble
10 S L -0.6798 Soluble
11 L L -0.4207 Soluble
12 S L -0.5964 Soluble
13 A L -1.0196 Soluble
14 S L -1.0515 Soluble
15 V L -0.5295 Soluble
16 G L -1.0763 Soluble
17 D L -2.1084 Soluble
18 R L -2.4541 Soluble
19 V L 0.0000 Buried
20 T L -0.6599 Soluble
21 I L 0.0000 Buried
22 T L -0.8576 Soluble
23 C L 0.0000 Buried
24 K L -2.6933 Soluble
25 A L 0.0000 Buried
26 S L -2.3017 Soluble
27 Q L -2.8719 Soluble
28 D L -2.7085 Soluble
29 V L 0.0000 Buried
36 S L -0.5283 Soluble
37 I L 0.4309 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 Q L -1.1614 Soluble
45 K L -1.7343 Soluble
46 P L -1.3880 Soluble
47 G L -1.7926 Soluble
48 K L -2.5050 Soluble
49 A L -1.5372 Soluble
50 P L 0.0000 Buried
51 K L -1.1296 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5544 Aggregation-prone
56 S L 0.5063 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.1693 Aggregation-prone
66 Y L 0.7055 Aggregation-prone
67 R L -0.6554 Soluble
68 Y L -0.3302 Soluble
69 T L -0.3487 Soluble
70 G L -0.7031 Soluble
71 V L 0.0000 Buried
72 P L -0.6336 Soluble
74 S L -0.7284 Soluble
75 R L -0.9372 Soluble
76 F L 0.0000 Buried
77 S L -0.4344 Soluble
78 G L -0.2976 Soluble
79 S L -0.4270 Soluble
80 G L -0.9531 Soluble
83 S L -0.8595 Soluble
84 G L -1.6111 Soluble
85 T L -2.2335 Soluble
86 D L -2.5279 Soluble
87 F L 0.0000 Buried
88 T L -0.8100 Soluble
89 L L 0.0000 Buried
90 T L -0.6149 Soluble
91 I L 0.0000 Buried
92 S L -1.4022 Soluble
93 S L -1.3205 Soluble
94 L L 0.0000 Buried
95 Q L -1.1633 Soluble
96 P L -1.9032 Soluble
97 E L -2.4259 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8128 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 1.6000 Aggregation-prone
109 I L 1.3542 Aggregation-prone
114 Y L 0.9364 Aggregation-prone
115 P L 0.2677 Aggregation-prone
116 Y L 0.0000 Buried
117 T L -0.3755 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8755 Soluble
121 G L -1.2785 Soluble
122 T L 0.0000 Buried
123 K L -1.3860 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.2730 Soluble
128 R L -0.8685 Soluble
129 T L -0.0324 Soluble
130 V L 0.4436 Aggregation-prone
131 A L 0.0457 Aggregation-prone
132 A L -0.0762 Soluble
133 P L 0.0000 Buried
134 S L -0.0912 Soluble
135 V L -0.1106 Soluble
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.4852 Soluble
140 P L 0.0000 Buried
141 S L -1.4791 Soluble
142 D L -2.5109 Soluble
143 E L -2.2529 Soluble
144 Q L 0.0000 Buried
145 L L -2.0808 Soluble
146 K L -2.6255 Soluble
147 S L -1.7044 Soluble
148 G L -1.2856 Soluble
149 T L -1.2282 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 -0.8646 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L 0.0000 Buried
162 R L -2.6789 Soluble
163 E L -3.0736 Soluble
164 A L -2.2647 Soluble
165 K L -2.3841 Soluble
166 V L -1.0327 Soluble
167 Q L -0.4427 Soluble
168 W L 0.0000 Buried
169 K L -0.4954 Soluble
170 V L 0.0000 Buried
171 D L -1.9964 Soluble
172 N L -1.5563 Soluble
173 A L -0.2538 Soluble
174 L L 0.8092 Aggregation-prone
175 Q L -0.0073 Soluble
176 S L -0.4417 Soluble
177 G L -0.9308 Soluble
178 N L -0.8738 Soluble
179 S L -1.2212 Soluble
180 Q L -1.6097 Soluble
181 E L -1.8774 Soluble
182 S L -0.9948 Soluble
183 V L -0.7369 Soluble
184 T L -1.0634 Soluble
185 E L -2.0554 Soluble
186 Q L 0.0000 Buried
187 D L -2.2098 Soluble
188 S L -2.4719 Soluble
189 K L -2.9108 Soluble
190 D L -2.4935 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 -0.7754 Soluble
199 L L 0.0000 Buried
200 T L -0.4680 Soluble
201 L L -0.6754 Soluble
202 S L -1.0701 Soluble
203 K L -2.0845 Soluble
204 A L -1.8470 Soluble
205 D L -2.5407 Soluble
206 Y L 0.0000 Buried
207 E L -3.2909 Soluble
208 K L -3.5342 Soluble
209 H L -2.9694 Soluble
210 K L -3.1751 Soluble
211 V L -1.3397 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8466 Soluble
216 V L 0.0000 Buried
217 T L -1.2119 Soluble
218 H L 0.0000 Buried
219 Q L -1.7076 Soluble
220 G L -0.4406 Soluble
221 L L -0.2710 Soluble
222 S L -0.4886 Soluble
223 S L -0.4537 Soluble
224 P L -0.6090 Soluble
225 V L -0.0202 Soluble
226 T L -0.4135 Soluble
227 K L -0.6996 Soluble
228 S L -0.5262 Soluble
229 F L 0.0000 Buried
230 N L -1.6379 Soluble
231 R L -2.1137 Soluble
232 G L -2.0101 Soluble
233 E L -2.2500 Soluble
234 C L -1.2689 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 -0.7249 2.3 CSV PDB
4.5 -0.7649 2.3 CSV PDB
5.0 -0.8114 2.3 CSV PDB
5.5 -0.8554 2.3 CSV PDB
6.0 -0.8865 2.3 CSV PDB
6.5 -0.8956 2.3 CSV PDB
7.0 -0.882 2.3 CSV PDB
7.5 -0.8537 2.3 CSV PDB
8.0 -0.8175 2.2999 CSV PDB
8.5 -0.7755 2.2998 CSV PDB
9.0 -0.7273 2.2994 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH