Azerutamig / 3be1

A4DAB030_3be1_H_L | Source PDB: 3be1 | Chains: H, L | Done
93.94
Yes
10 Å
Yes
Avg A4D Score
-0.6949
Max Score
1.6685
Min Score
-3.712
Total Score
-298.09
Score CDR
-0.4862
Score non-CDR
-0.723

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDIPRSISGYVAWYQQKPGKAPKLLIYWGSYLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.712
Maximum Score 1.6685
Average Score -0.6949
Total Score -298.0932

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

Index Residue Chain A4D Score Classification
1 E H -2.0015 Soluble
2 V H -1.1492 Soluble
3 Q H -1.4253 Soluble
4 L H 0.0000 Buried
5 V H 0.0841 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6470 Soluble
8 G H -1.0083 Soluble
9 G H -0.6092 Soluble
11 G H -0.2789 Soluble
12 L H -0.0383 Soluble
13 V H -0.4452 Soluble
14 Q H -1.5579 Soluble
15 P H -1.4148 Soluble
16 G H -1.4186 Soluble
17 G H -1.0572 Soluble
18 S H -1.0711 Soluble
19 L H -1.1709 Soluble
20 R H -2.3048 Soluble
21 L H 0.0000 Buried
22 S H -0.6750 Soluble
23 C H 0.0000 Buried
24 A H -0.2752 Soluble
25 A H -0.7621 Soluble
26 S H -1.2256 Soluble
27 G H -1.4026 Soluble
28 F H -1.4778 Soluble
29 N H -2.4667 Soluble
30 I H 0.0000 Buried
35 K H -2.8332 Soluble
36 D H -3.1263 Soluble
37 T H 0.0000 Buried
38 Y H -0.4630 Soluble
39 I H 0.0000 Buried
40 H 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 -0.8493 Soluble
45 A H -1.1729 Soluble
46 P H -1.0286 Soluble
47 G H -1.5490 Soluble
48 K H -2.3427 Soluble
49 G H -1.5975 Soluble
50 L H 0.0000 Buried
51 E H -1.0479 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H -0.3718 Soluble
56 I H 0.0000 Buried
57 Y H -0.3328 Soluble
58 P H 0.0000 Buried
59 T H -1.2010 Soluble
62 N H -0.9904 Soluble
63 G H -0.3855 Soluble
64 Y H 0.6177 Aggregation-prone
65 T H -0.1535 Soluble
66 R H -1.3360 Soluble
67 Y H -1.4978 Soluble
68 A H -1.6691 Soluble
69 D H -2.6044 Soluble
70 S H -1.7629 Soluble
71 V H 0.0000 Buried
72 K H -2.8002 Soluble
74 G H -1.7431 Soluble
75 R H -1.4988 Soluble
76 F H 0.0000 Buried
77 T H -1.1631 Soluble
78 I H 0.0000 Buried
79 S H -0.3101 Soluble
80 A H -0.7999 Soluble
81 D H -1.3762 Soluble
82 T H -1.6807 Soluble
83 S H -1.5634 Soluble
84 K H -2.2231 Soluble
85 N H -1.8276 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.7089 Soluble
91 M H 0.0000 Buried
92 N H -1.3620 Soluble
93 S H -1.1560 Soluble
94 L H 0.0000 Buried
95 R H -2.3782 Soluble
96 A H -1.7803 Soluble
97 E H -2.2482 Soluble
98 D H 0.0000 Buried
99 T H -0.7213 Soluble
100 A H 0.0000 Buried
101 V H 0.1461 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H -0.2276 Soluble
107 W H 0.0000 Buried
108 G H 0.0000 Buried
109 G H -1.5604 Soluble
110 D H -2.3416 Soluble
111 G H -1.1542 Soluble
112 F H -0.1357 Soluble
113 Y H 0.3395 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.1110 Soluble
117 Y H -0.1192 Soluble
118 W H 0.0000 Buried
119 G H -0.8271 Soluble
120 Q H -1.6276 Soluble
121 G H -0.7724 Soluble
122 T H -0.1639 Soluble
123 L H 0.0746 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.7626 Soluble
128 S H -0.7474 Soluble
129 A H -0.4878 Soluble
130 S H -0.7220 Soluble
131 T H -1.3061 Soluble
132 K H -1.9516 Soluble
133 G H 0.0000 Buried
134 P H -0.9343 Soluble
135 S H -0.7389 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1627 Soluble
139 L H 0.0000 Buried
140 A H -0.4301 Soluble
141 P H -0.4661 Soluble
142 G H -0.6402 Soluble
143 T H -0.4456 Soluble
144 A H 0.0000 Buried
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H -0.4097 Soluble
152 D H -0.6507 Soluble
153 Y H 0.0000 Buried
154 F H -0.4414 Soluble
155 P H 0.0000 Buried
156 E H -1.1509 Soluble
157 P H -0.9594 Soluble
158 V H -0.4913 Soluble
159 T H -0.5412 Soluble
160 V H -0.2355 Soluble
161 S H -0.4079 Soluble
162 W H 0.0000 Buried
163 N H -0.9419 Soluble
164 S H -0.7033 Soluble
165 G H -0.7062 Soluble
166 A H -0.3827 Soluble
167 L H -0.0354 Soluble
168 T H -0.1801 Soluble
169 S H -0.1484 Soluble
170 G H -0.2434 Soluble
171 V H 0.2039 Aggregation-prone
172 H H -0.1835 Soluble
173 T H 0.0187 Aggregation-prone
174 F H 0.0000 Buried
175 P H -0.5296 Soluble
176 A H 0.1160 Aggregation-prone
177 V H 0.6227 Aggregation-prone
178 L H 1.5247 Aggregation-prone
179 Q H 0.3832 Aggregation-prone
180 S H 0.0286 Aggregation-prone
181 S H -0.1403 Soluble
182 G H 0.2499 Aggregation-prone
183 L H 0.2358 Aggregation-prone
184 Y H 0.4590 Aggregation-prone
185 S H 0.0748 Aggregation-prone
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.0294 Soluble
192 V H 0.0165 Aggregation-prone
193 P H -0.3765 Soluble
194 S H -0.4929 Soluble
195 S H -0.4163 Soluble
196 S H -0.4085 Soluble
197 L H -0.5616 Soluble
198 G H -1.1067 Soluble
199 T H -0.7975 Soluble
200 Q H -1.2693 Soluble
201 T H -0.9733 Soluble
202 Y H -0.8267 Soluble
203 I H -0.8885 Soluble
204 C H 0.0000 Buried
205 N H -1.5037 Soluble
206 V H 0.0000 Buried
207 N H -1.6668 Soluble
208 H H 0.0000 Buried
209 K H -2.7460 Soluble
210 P H -1.7687 Soluble
211 S H -1.9603 Soluble
212 N H -2.5908 Soluble
213 T H -2.1320 Soluble
214 K H -2.6783 Soluble
215 V H -1.6712 Soluble
216 D H -2.5843 Soluble
217 K H -2.0924 Soluble
218 K H -2.1928 Soluble
219 V H 0.0000 Buried
220 E H -2.2018 Soluble
221 P H -1.1703 Soluble
1 D L -2.1351 Soluble
2 I L 0.0000 Buried
3 Q L -1.9957 Soluble
4 M L 0.0000 Buried
5 T L -1.1613 Soluble
6 Q L 0.0000 Buried
7 S L -0.7172 Soluble
8 P L -0.5763 Soluble
9 S L -0.8175 Soluble
10 S L -0.7681 Soluble
11 L L -0.5851 Soluble
12 S L -0.9664 Soluble
13 A L -1.2277 Soluble
14 S L -1.1214 Soluble
15 V L -0.1884 Soluble
16 G L -0.9590 Soluble
17 D L -2.1833 Soluble
18 R L -2.5406 Soluble
19 V L 0.0000 Buried
20 T L -0.5199 Soluble
21 I L 0.0000 Buried
22 T L -0.6363 Soluble
23 C L 0.0000 Buried
24 R L -1.8019 Soluble
25 A L -1.3796 Soluble
26 S L -1.5574 Soluble
27 Q L -1.6722 Soluble
28 D L -1.7829 Soluble
29 I L -0.3406 Soluble
30 P L -1.1585 Soluble
31 R L -1.9858 Soluble
34 S L -1.0503 Soluble
35 I L 0.0000 Buried
36 S L -0.4203 Soluble
37 G L 0.5457 Aggregation-prone
38 Y L 1.3422 Aggregation-prone
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 0.0000 Buried
45 K L -1.8578 Soluble
46 P L -1.4954 Soluble
47 G L -1.6820 Soluble
48 K L -2.5181 Soluble
49 A L -1.5575 Soluble
50 P L 0.0000 Buried
51 K L -1.1723 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.2344 Aggregation-prone
56 W L 1.3022 Aggregation-prone
57 G L 0.0000 Buried
65 S L 0.7240 Aggregation-prone
66 Y L 1.6685 Aggregation-prone
67 L L 1.2045 Aggregation-prone
68 Y L 0.5118 Aggregation-prone
69 S L -0.0548 Soluble
70 G L -0.4745 Soluble
71 V L 0.0000 Buried
72 P L -0.3412 Soluble
74 S L -0.3861 Soluble
75 R L -0.7146 Soluble
76 F L 0.0000 Buried
77 S L -0.0373 Soluble
78 G L 0.0000 Buried
79 S L -0.4332 Soluble
80 G L -0.7366 Soluble
83 S L -0.8305 Soluble
84 G L -1.2531 Soluble
85 T L -1.4575 Soluble
86 D L -1.6425 Soluble
87 F L 0.0000 Buried
88 T L -0.6241 Soluble
89 L L 0.0000 Buried
90 T L -0.5925 Soluble
91 I L 0.0000 Buried
92 S L -1.4589 Soluble
93 S L -1.2456 Soluble
94 L L 0.0000 Buried
95 Q L -0.9568 Soluble
96 P L -1.7397 Soluble
97 E L -2.0858 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8695 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 H L 0.4970 Aggregation-prone
108 Y L 0.4828 Aggregation-prone
109 T L 0.0402 Aggregation-prone
114 T L -0.5122 Soluble
115 P L -0.5645 Soluble
116 P L 0.0000 Buried
117 T L -0.7180 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.5409 Soluble
121 G L -1.1223 Soluble
122 T L 0.0000 Buried
123 K L -1.5175 Soluble
124 V L 0.0000 Buried
125 E L -1.1933 Soluble
126 I L 0.0000 Buried
127 K L -1.7336 Soluble
128 R L -0.9118 Soluble
129 T L 0.1482 Aggregation-prone
130 V L 0.9626 Aggregation-prone
131 A L 0.4330 Aggregation-prone
132 A L -0.0037 Soluble
133 P L -0.2941 Soluble
134 S L -0.3207 Soluble
135 V L 0.0000 Buried
136 F L -0.0829 Soluble
137 I L -0.0812 Soluble
138 F L 0.0000 Buried
139 P L -0.4741 Soluble
140 P L 0.0000 Buried
141 S L -1.5442 Soluble
142 D L -2.8448 Soluble
143 E L -2.6722 Soluble
144 Q L 0.0000 Buried
145 L L -2.0155 Soluble
146 K L -2.8004 Soluble
147 S L -1.7886 Soluble
148 G L -1.1693 Soluble
149 T L -0.8418 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 -1.0725 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5535 Soluble
162 R L -2.7240 Soluble
163 E L -3.1447 Soluble
164 A L -2.2697 Soluble
165 K L -2.2925 Soluble
166 V L -1.2039 Soluble
167 Q L -0.8813 Soluble
168 W L 0.0000 Buried
169 K L -0.8023 Soluble
170 V L -1.0578 Soluble
171 D L -2.0059 Soluble
172 N L -1.6244 Soluble
173 A L -0.4424 Soluble
174 L L 0.6383 Aggregation-prone
175 Q L -0.1880 Soluble
176 S L -0.4374 Soluble
177 G L -0.9449 Soluble
178 N L -1.1955 Soluble
179 S L -1.4046 Soluble
180 Q L -1.5824 Soluble
181 E L -1.9819 Soluble
182 S L -0.7935 Soluble
183 V L -0.6000 Soluble
184 T L -1.0673 Soluble
185 E L -2.1427 Soluble
186 Q L 0.0000 Buried
187 D L -2.1997 Soluble
188 S L -2.3815 Soluble
189 K L -2.8494 Soluble
190 D L -2.4143 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 -0.6496 Soluble
199 L L 0.0000 Buried
200 T L -0.4155 Soluble
201 L L -0.5492 Soluble
202 S L -1.1043 Soluble
203 K L -2.3321 Soluble
204 A L -1.9457 Soluble
205 D L -3.0054 Soluble
206 Y L 0.0000 Buried
207 E L -3.7120 Soluble
208 K L -3.5245 Soluble
209 H L -2.5346 Soluble
210 K L -2.3801 Soluble
211 V L -0.3492 Soluble
212 Y L 0.0000 Buried
213 A L -0.9583 Soluble
214 C L 0.0000 Buried
215 E L -0.8893 Soluble
216 V L 0.0000 Buried
217 T L -1.0607 Soluble
218 H L 0.0000 Buried
219 Q L -1.6205 Soluble
220 G L -0.2167 Soluble
221 L L 0.0183 Aggregation-prone
222 S L -0.2867 Soluble
223 S L -0.1584 Soluble
224 P L -0.1172 Soluble
225 V L 0.8308 Aggregation-prone
226 T L -0.3500 Soluble
227 K L -1.3086 Soluble
228 S L -0.6765 Soluble
229 F L -0.8884 Soluble
230 N L -1.8525 Soluble
231 R L -2.1676 Soluble
232 G L -1.3822 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 -0.688 1.963 CSV PDB
4.5 -0.7318 1.9632 CSV PDB
5.0 -0.7837 1.9639 CSV PDB
5.5 -0.8336 1.9655 CSV PDB
6.0 -0.8698 1.9684 CSV PDB
6.5 -0.8833 1.9716 CSV PDB
7.0 -0.8742 1.974 CSV PDB
7.5 -0.8502 1.975 CSV PDB
8.0 -0.8178 1.9752 CSV PDB
8.5 -0.7789 1.9745 CSV PDB
9.0 -0.7329 1.9719 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH