Basiliximab / 3iu3

A4DAB035_3iu3_H_L | Source PDB: 3iu3 | Chains: H, L | Done
99.1
Yes
10 Å
Yes
Avg A4D Score
-0.646
Max Score
1.4511
Min Score
-3.6184
Total Score
-273.27
Score CDR
-0.304
Score non-CDR
-0.6827

Calculation Parameters

Chain Sequence(s) QLQQSGTVLARPGASVKMSCKASGYSFTRYWMHWIKQRPGQGLEWIGAIYPGNSDTSYNQKFEGKAKLTAVTSASTAYMELSSLTHEDSAVYYCSRDYGYYFDFWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPQIVSTQSPAIMSASPGEKVTMTCSASSSRSYMQWYQQKPGTSPKRWIYDTSKLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQRSSYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.6184
Maximum Score 1.4511
Average Score -0.646
Total Score -273.2694

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

Index Residue Chain A4D Score Classification
3 Q H -1.4348 Soluble
4 L H 0.0000 Buried
5 Q H -2.1902 Soluble
6 Q H 0.0000 Buried
7 S H -1.0468 Soluble
8 G H -0.6437 Soluble
9 T H -0.0556 Soluble
11 V H 0.4059 Aggregation-prone
12 L H 0.5830 Aggregation-prone
13 A H -0.6485 Soluble
14 R H -2.0956 Soluble
15 P H -1.7331 Soluble
16 G H -1.2610 Soluble
17 A H -0.9402 Soluble
18 S H -1.1575 Soluble
19 V H -1.0108 Soluble
20 K H -2.0774 Soluble
21 M H 0.0000 Buried
22 S H -0.9579 Soluble
23 C H 0.0000 Buried
24 K H -1.6163 Soluble
25 A H 0.0000 Buried
26 S H -1.2127 Soluble
27 G H -0.8005 Soluble
28 Y H -0.5852 Soluble
29 S H -0.8159 Soluble
30 F H 0.0000 Buried
35 T H -1.0954 Soluble
36 R H -1.8148 Soluble
37 Y H -0.2056 Soluble
38 W H 0.3434 Aggregation-prone
39 M H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 K H 0.0000 Buried
44 Q H -0.8772 Soluble
45 R H -1.5419 Soluble
46 P H -1.2755 Soluble
47 G H -1.3778 Soluble
48 Q H -1.8879 Soluble
49 G H -1.2344 Soluble
50 L H 0.0000 Buried
51 E H -0.8777 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -0.9446 Soluble
58 P H 0.0000 Buried
59 G H -1.7468 Soluble
62 N H -2.3084 Soluble
63 S H -1.6583 Soluble
64 D H -2.2502 Soluble
65 T H -1.2085 Soluble
66 S H -0.8286 Soluble
67 Y H -1.1912 Soluble
68 N H -1.7602 Soluble
69 Q H -2.7128 Soluble
70 K H -2.8475 Soluble
71 F H -2.3369 Soluble
72 E H -3.1307 Soluble
74 G H -2.2105 Soluble
75 K H -1.9180 Soluble
76 A H 0.0000 Buried
77 K H -2.4389 Soluble
78 L H 0.0000 Buried
79 T H -0.6512 Soluble
80 A H 0.1357 Aggregation-prone
81 V H 0.6654 Aggregation-prone
82 T H -0.0051 Soluble
83 S H 0.0273 Aggregation-prone
84 A H -0.0535 Soluble
85 S H -0.2239 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6087 Soluble
89 M H 0.0000 Buried
90 E H -1.9782 Soluble
91 L H 0.0000 Buried
92 S H -1.1757 Soluble
93 S H -0.8867 Soluble
94 L H 0.0000 Buried
95 T H -1.6250 Soluble
96 H H -2.2544 Soluble
97 E H -2.4395 Soluble
98 D H 0.0000 Buried
99 S H -0.9273 Soluble
100 A H 0.0000 Buried
101 V H -0.1543 Soluble
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 0.0000 Buried
107 D H 0.8556 Aggregation-prone
108 Y H 1.3424 Aggregation-prone
109 G H 0.6607 Aggregation-prone
113 Y H 1.2041 Aggregation-prone
114 Y H 0.5683 Aggregation-prone
115 F H 0.0000 Buried
116 D H 0.3007 Aggregation-prone
117 F H 0.5465 Aggregation-prone
118 W H -0.3119 Soluble
119 G H 0.0000 Buried
120 Q H -1.4541 Soluble
121 G H -0.9077 Soluble
122 T H 0.0000 Buried
123 T H -0.1908 Soluble
124 L H 0.0000 Buried
125 T H -0.4668 Soluble
126 V H 0.0000 Buried
127 S H -1.1943 Soluble
128 S H -1.0334 Soluble
129 A H -0.5758 Soluble
130 S H -0.6131 Soluble
131 T H -0.5794 Soluble
132 K H -1.1372 Soluble
133 G H -1.3353 Soluble
134 P H 0.0000 Buried
135 S H -0.3470 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1222 Soluble
139 L H 0.0000 Buried
140 A H -0.8989 Soluble
141 P H 0.0000 Buried
142 S H -0.7651 Soluble
143 S H -0.6942 Soluble
144 K H -0.8134 Soluble
145 S H 0.0000 Buried
146 T H -0.6467 Soluble
147 S H -0.7261 Soluble
148 G H -0.9115 Soluble
149 G H -0.9120 Soluble
150 T H -0.6165 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 -0.4760 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -1.2273 Soluble
164 P H -1.1563 Soluble
165 V H -0.7186 Soluble
166 T H -0.7600 Soluble
167 V H -0.2753 Soluble
168 S H -0.4550 Soluble
169 W H 0.0000 Buried
170 N H -1.0198 Soluble
171 S H -0.7483 Soluble
172 G H -0.6161 Soluble
173 A H -0.2659 Soluble
174 L H 0.0024 Aggregation-prone
175 T H -0.1379 Soluble
176 S H -0.1712 Soluble
177 G H -0.2052 Soluble
178 V H 0.1973 Aggregation-prone
179 H H -0.2720 Soluble
180 T H 0.0508 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3236 Soluble
183 A H 0.0601 Aggregation-prone
184 V H 0.2973 Aggregation-prone
185 L H 0.9297 Aggregation-prone
186 Q H 0.0713 Aggregation-prone
187 S H -0.0937 Soluble
188 S H -0.2482 Soluble
189 G H -0.0484 Soluble
190 L H -0.0290 Soluble
191 Y H 0.0000 Buried
192 S H 0.1379 Aggregation-prone
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 -0.1919 Soluble
199 V H 0.0000 Buried
200 P H -0.5576 Soluble
201 S H -0.6005 Soluble
202 S H -0.6350 Soluble
203 S H -0.5880 Soluble
204 L H -0.6813 Soluble
205 G H -0.7571 Soluble
206 T H -0.7820 Soluble
207 Q H -1.1804 Soluble
208 T H -1.2041 Soluble
209 Y H 0.0000 Buried
210 I H -1.4070 Soluble
211 C H 0.0000 Buried
212 N H -1.6332 Soluble
213 V H 0.0000 Buried
214 N H -2.0490 Soluble
215 H H 0.0000 Buried
216 K H -2.7698 Soluble
217 P H -1.6924 Soluble
218 S H -1.7909 Soluble
219 N H -2.4880 Soluble
220 T H -2.0695 Soluble
221 K H -2.7057 Soluble
222 V H -1.4600 Soluble
223 D H -2.6268 Soluble
224 K H -2.1631 Soluble
225 R H -2.8757 Soluble
226 V H 0.0000 Buried
227 E H -2.4550 Soluble
228 P H -1.4305 Soluble
1 Q L -0.8819 Soluble
2 I L 0.3074 Aggregation-prone
3 V L 1.4456 Aggregation-prone
4 S L 0.0000 Buried
5 T L -0.0098 Soluble
6 Q L -0.5543 Soluble
7 S L -0.2383 Soluble
8 P L 0.1250 Aggregation-prone
9 A L 0.4728 Aggregation-prone
10 I L 1.4511 Aggregation-prone
11 M L 0.5498 Aggregation-prone
12 S L -0.4746 Soluble
13 A L 0.0000 Buried
14 S L -2.0082 Soluble
15 P L -1.9482 Soluble
16 G L -2.2363 Soluble
17 E L -3.3731 Soluble
18 K L -2.9389 Soluble
19 V L 0.0000 Buried
20 T L -0.4893 Soluble
21 M L 0.0000 Buried
22 T L -0.3135 Soluble
23 C L 0.0000 Buried
24 S L -0.1535 Soluble
25 A L 0.1668 Aggregation-prone
26 S L 0.0668 Aggregation-prone
27 S L -0.2329 Soluble
28 S L -0.5013 Soluble
29 R L -0.4925 Soluble
37 S L -0.1750 Soluble
38 Y L 0.5314 Aggregation-prone
39 M L 0.0000 Buried
40 Q 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 -1.3371 Soluble
46 P L -1.0656 Soluble
47 G L -0.9359 Soluble
48 T L -1.0261 Soluble
49 S L -0.8492 Soluble
50 P L 0.0000 Buried
51 K L -1.6584 Soluble
52 R L -0.7372 Soluble
53 W L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1200 Aggregation-prone
56 D L -0.0716 Soluble
57 T L -0.3069 Soluble
65 S L -0.7439 Soluble
66 K L -1.1902 Soluble
67 L L -0.2655 Soluble
68 A L 0.0000 Buried
69 S L -0.4457 Soluble
70 G L -0.4105 Soluble
71 V L -0.2361 Soluble
72 P L -0.1643 Soluble
74 A L -0.1723 Soluble
75 R L -0.8273 Soluble
76 F L 0.0000 Buried
77 S L -0.4802 Soluble
78 G L 0.0000 Buried
79 S L -0.5819 Soluble
80 G L -0.4905 Soluble
83 S L -0.4676 Soluble
84 G L -0.5125 Soluble
85 T L -0.4931 Soluble
86 S L -0.5866 Soluble
87 Y L 0.0000 Buried
88 S L -0.3616 Soluble
89 L L 0.0000 Buried
90 T L -0.5712 Soluble
91 I L 0.0000 Buried
92 S L -1.6596 Soluble
93 S L -2.0337 Soluble
94 M L 0.0000 Buried
95 E L -2.1202 Soluble
96 A L -1.6183 Soluble
97 E L -2.1775 Soluble
98 D L 0.0000 Buried
99 A L -0.9671 Soluble
100 A L 0.0000 Buried
101 T L -0.3464 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 R L -0.2931 Soluble
108 S L -0.4860 Soluble
115 S L -0.1690 Soluble
116 Y L -0.0081 Soluble
117 T L 0.0962 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.7522 Soluble
121 G L -0.5077 Soluble
122 T L 0.0000 Buried
123 K L -0.2220 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -1.1516 Soluble
127 K L -1.6408 Soluble
128 R L -1.0979 Soluble
129 T L -0.1325 Soluble
130 V L 0.6163 Aggregation-prone
131 A L 0.2104 Aggregation-prone
132 A L -0.0080 Soluble
133 P L 0.0000 Buried
134 S L -0.0642 Soluble
135 V L -0.0282 Soluble
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.9200 Soluble
140 P L -0.8333 Soluble
141 S L -1.3340 Soluble
142 D L -2.5494 Soluble
143 E L -2.2365 Soluble
144 Q L 0.0000 Buried
145 L L -1.7334 Soluble
146 K L -2.5186 Soluble
147 S L -1.5544 Soluble
148 G L -1.0330 Soluble
149 T L -0.7650 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 -0.7112 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2009 Soluble
162 R L -2.0117 Soluble
163 E L -2.6590 Soluble
164 A L -2.0106 Soluble
165 K L -2.2414 Soluble
166 V L -1.0395 Soluble
167 Q L -0.7072 Soluble
168 W L 0.0000 Buried
169 K L -0.6784 Soluble
170 V L 0.0000 Buried
171 D L -1.7475 Soluble
172 N L -1.3300 Soluble
173 A L -0.3432 Soluble
174 L L 0.4302 Aggregation-prone
175 Q L -0.2839 Soluble
176 S L -0.6299 Soluble
177 G L -1.0136 Soluble
178 N L -0.8968 Soluble
179 S L -1.4805 Soluble
180 Q L -2.1309 Soluble
181 E L -2.2564 Soluble
182 S L -0.8921 Soluble
183 V L -0.5023 Soluble
184 T L -0.9873 Soluble
185 E L -2.1062 Soluble
186 Q L -1.7435 Soluble
187 D L -1.9497 Soluble
188 S L -1.8930 Soluble
189 K L -2.2264 Soluble
190 D L -1.6859 Soluble
191 S L -1.7034 Soluble
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 -0.8705 Soluble
199 L L 0.0000 Buried
200 T L -0.4056 Soluble
201 L L -0.4439 Soluble
202 S L -0.8485 Soluble
203 K L -1.8693 Soluble
204 A L -1.6838 Soluble
205 D L -2.1941 Soluble
206 Y L 0.0000 Buried
207 E L -3.6184 Soluble
208 K L -3.6054 Soluble
209 H L -3.1553 Soluble
210 K L -3.4731 Soluble
211 V L -1.8730 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5284 Soluble
216 V L 0.0000 Buried
217 T L -1.1129 Soluble
218 H L 0.0000 Buried
219 Q L -1.6089 Soluble
220 G L -0.3656 Soluble
221 L L -0.1863 Soluble
222 S L -0.2539 Soluble
223 S L -0.4797 Soluble
224 P L -0.3813 Soluble
225 V L 0.4322 Aggregation-prone
226 T L -0.1684 Soluble
227 K L -0.4792 Soluble
228 S L -0.6177 Soluble
229 F L 0.0000 Buried
230 N L -2.6814 Soluble
231 R L -3.4947 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 -0.7342 2.2437 CSV PDB
4.5 -0.7702 2.2443 CSV PDB
5.0 -0.8134 2.2462 CSV PDB
5.5 -0.8545 2.2518 CSV PDB
6.0 -0.8827 2.2671 CSV PDB
6.5 -0.889 2.3013 CSV PDB
7.0 -0.8716 2.3579 CSV PDB
7.5 -0.8375 2.43 CSV PDB
8.0 -0.7944 2.5091 CSV PDB
8.5 -0.7459 2.5907 CSV PDB
9.0 -0.6929 2.6729 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH