Basiliximab / 3iu3

A4DAB035_3iu3_A_B | Source PDB: 3iu3 | Chains: A, B | Done
99.1
Yes
10 Å
Yes
Avg A4D Score
-0.6313
Max Score
1.4639
Min Score
-3.4208
Total Score
-267.04
Score CDR
-0.3227
Score non-CDR
-0.6644

Calculation Parameters

Chain Sequence(s) QLQQSGTVLARPGASVKMSCKASGYSFTRYWMHWIKQRPGQGLEWIGAIYPGNSDTSYNQKFEGKAKLTAVTSASTAYMELSSLTHEDSAVYYCSRDYGYYFDFWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPQIVSTQSPAIMSASPGEKVTMTCSASSSRSYMQWYQQKPGTSPKRWIYDTSKLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQRSSYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) A (Heavy), B (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 -3.4208
Maximum Score 1.4639
Average Score -0.6313
Total Score -267.0399

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

Index Residue Chain A4D Score Classification
3 Q A -1.7083 Soluble
4 L A 0.0000 Buried
5 Q A -2.2570 Soluble
6 Q A 0.0000 Buried
7 S A -1.0500 Soluble
8 G A -0.7534 Soluble
9 T A -0.0402 Soluble
11 V A 0.3706 Aggregation-prone
12 L A 0.5964 Aggregation-prone
13 A A -0.6495 Soluble
14 R A -2.0934 Soluble
15 P A -1.5517 Soluble
16 G A -1.2653 Soluble
17 A A -0.9276 Soluble
18 S A -1.0487 Soluble
19 V A -0.9170 Soluble
20 K A -1.9644 Soluble
21 M A 0.0000 Buried
22 S A -0.9435 Soluble
23 C A 0.0000 Buried
24 K A -1.7292 Soluble
25 A A 0.0000 Buried
26 S A -1.2649 Soluble
27 G A -0.8101 Soluble
28 Y A -0.5688 Soluble
29 S A -0.7435 Soluble
30 F A 0.0000 Buried
35 T A -1.1158 Soluble
36 R A -1.8001 Soluble
37 Y A -0.3214 Soluble
38 W A 0.0569 Aggregation-prone
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 K A 0.0000 Buried
44 Q A -0.6990 Soluble
45 R A -1.3416 Soluble
46 P A -1.1772 Soluble
47 G A -1.3007 Soluble
48 Q A -1.7995 Soluble
49 G A -1.1378 Soluble
50 L A 0.0000 Buried
51 E A -0.7568 Soluble
52 W A 0.0000 Buried
53 I A 0.0000 Buried
54 G A 0.0000 Buried
55 A A 0.0000 Buried
56 I A 0.0000 Buried
57 Y A -1.0232 Soluble
58 P A 0.0000 Buried
59 G A -1.4523 Soluble
62 N A -2.2072 Soluble
63 S A -1.5695 Soluble
64 D A -2.2618 Soluble
65 T A -1.2195 Soluble
66 S A -0.9542 Soluble
67 Y A -1.1581 Soluble
68 N A -1.7295 Soluble
69 Q A -2.8553 Soluble
70 K A -2.9403 Soluble
71 F A 0.0000 Buried
72 E A -3.2326 Soluble
74 G A -2.2534 Soluble
75 K A -2.0342 Soluble
76 A A 0.0000 Buried
77 K A -2.3489 Soluble
78 L A 0.0000 Buried
79 T A -0.4180 Soluble
80 A A 0.1720 Aggregation-prone
81 V A 0.7355 Aggregation-prone
82 T A 0.0604 Aggregation-prone
83 S A 0.0603 Aggregation-prone
84 A A -0.0450 Soluble
85 S A -0.2947 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.5241 Soluble
89 M A 0.0000 Buried
90 E A -1.7399 Soluble
91 L A 0.0000 Buried
92 S A -1.1003 Soluble
93 S A -0.8691 Soluble
94 L A 0.0000 Buried
95 T A -1.6463 Soluble
96 H A -2.2342 Soluble
97 E A -2.4104 Soluble
98 D A 0.0000 Buried
99 S A -0.8530 Soluble
100 A A 0.0000 Buried
101 V A 0.0539 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 S A 0.0000 Buried
106 R A 0.2986 Aggregation-prone
107 D A 0.0000 Buried
108 Y A 1.0999 Aggregation-prone
109 G A 0.4528 Aggregation-prone
113 Y A 0.9964 Aggregation-prone
114 Y A 0.5107 Aggregation-prone
115 F A 0.0000 Buried
116 D A 0.2968 Aggregation-prone
117 F A 0.3675 Aggregation-prone
118 W A -0.3185 Soluble
119 G A 0.0000 Buried
120 Q A -1.4645 Soluble
121 G A -0.8610 Soluble
122 T A 0.0000 Buried
123 T A -0.1008 Soluble
124 L A 0.0000 Buried
125 T A -0.4077 Soluble
126 V A 0.0000 Buried
127 S A -0.9904 Soluble
128 S A -0.9966 Soluble
129 A A -0.6440 Soluble
130 S A -0.7388 Soluble
131 T A -0.8042 Soluble
132 K A -1.6560 Soluble
133 G A -1.6788 Soluble
134 P A -0.8526 Soluble
135 S A -0.6997 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1741 Soluble
139 L A 0.0000 Buried
140 A A -0.9512 Soluble
141 P A 0.0000 Buried
142 S A -0.8294 Soluble
143 S A -0.6959 Soluble
144 K A -1.0067 Soluble
145 S A 0.0000 Buried
146 T A -0.6641 Soluble
147 S A -0.6465 Soluble
148 G A -0.7992 Soluble
149 G A -0.8684 Soluble
150 T A -0.5827 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.7869 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.9831 Soluble
164 P A -1.0581 Soluble
165 V A -0.9114 Soluble
166 T A -0.8122 Soluble
167 V A -0.3452 Soluble
168 S A -0.4464 Soluble
169 W A 0.0000 Buried
170 N A -0.7529 Soluble
171 S A -0.6604 Soluble
172 G A -0.5110 Soluble
173 A A -0.2084 Soluble
174 L A 0.0906 Aggregation-prone
175 T A -0.0735 Soluble
176 S A -0.1154 Soluble
177 G A -0.0945 Soluble
178 V A 0.2630 Aggregation-prone
179 H A -0.2493 Soluble
180 T A 0.0811 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.1584 Soluble
183 A A 0.3394 Aggregation-prone
184 V A 0.8804 Aggregation-prone
185 L A 1.4639 Aggregation-prone
186 Q A 0.4341 Aggregation-prone
187 S A 0.0252 Aggregation-prone
188 S A -0.2119 Soluble
189 G A -0.0092 Soluble
190 L A -0.1013 Soluble
191 Y A 0.3262 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.2035 Aggregation-prone
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1004 Soluble
199 V A 0.0000 Buried
200 P A -0.6320 Soluble
201 S A -0.5740 Soluble
202 S A -0.5979 Soluble
203 S A -0.5953 Soluble
204 L A -0.7553 Soluble
205 G A -0.9631 Soluble
206 T A -0.7206 Soluble
207 Q A -1.2657 Soluble
208 T A -1.1252 Soluble
209 Y A 0.0000 Buried
210 I A -1.3710 Soluble
211 C A 0.0000 Buried
212 N A -1.5644 Soluble
213 V A 0.0000 Buried
214 N A -2.2976 Soluble
215 H A 0.0000 Buried
216 K A -2.8864 Soluble
217 P A -1.7868 Soluble
218 S A -1.9939 Soluble
219 N A -2.6532 Soluble
220 T A -2.1546 Soluble
221 K A -2.7594 Soluble
222 V A -1.5149 Soluble
223 D A -2.5194 Soluble
224 K A -2.2341 Soluble
225 R A -2.6775 Soluble
226 V A 0.0000 Buried
227 E A -2.4906 Soluble
228 P A -1.1974 Soluble
1 Q B -0.9391 Soluble
2 I B 0.2638 Aggregation-prone
3 V B 1.1561 Aggregation-prone
4 S B 0.0000 Buried
5 T B -0.0614 Soluble
6 Q B -0.4425 Soluble
7 S B -0.3261 Soluble
8 P B -0.0501 Soluble
9 A B 0.1499 Aggregation-prone
10 I B 0.8109 Aggregation-prone
11 M B 0.3009 Aggregation-prone
12 S B -0.3979 Soluble
13 A B 0.0000 Buried
14 S B -1.4865 Soluble
15 P B -1.5928 Soluble
16 G B -1.7308 Soluble
17 E B -2.2937 Soluble
18 K B -2.3993 Soluble
19 V B 0.0000 Buried
20 T B -0.6096 Soluble
21 M B 0.0000 Buried
22 T B -0.3229 Soluble
23 C B 0.0000 Buried
24 S B -0.2618 Soluble
25 A B 0.0352 Aggregation-prone
26 S B -0.0661 Soluble
27 S B -0.3047 Soluble
28 S B -0.4198 Soluble
29 R B 0.0000 Buried
37 S B -0.0603 Soluble
38 Y B 0.5714 Aggregation-prone
39 M B 0.0000 Buried
40 Q B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -0.8743 Soluble
45 K B -1.0262 Soluble
46 P B -0.9867 Soluble
47 G B -0.9327 Soluble
48 T B -0.9134 Soluble
49 S B -0.7304 Soluble
50 P B 0.0000 Buried
51 K B -0.9240 Soluble
52 R B -0.4890 Soluble
53 W B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.1002 Soluble
56 D B -0.2606 Soluble
57 T B 0.0000 Buried
65 S B -0.9714 Soluble
66 K B -1.6698 Soluble
67 L B -0.5687 Soluble
68 A B 0.0000 Buried
69 S B -0.5543 Soluble
70 G B -0.5317 Soluble
71 V B 0.0000 Buried
72 P B -0.2760 Soluble
74 A B -0.2287 Soluble
75 R B -0.8848 Soluble
76 F B 0.0000 Buried
77 S B -0.5994 Soluble
78 G B 0.0000 Buried
79 S B -0.6179 Soluble
80 G B -0.4623 Soluble
83 S B -0.4468 Soluble
84 G B -0.5217 Soluble
85 T B -0.4764 Soluble
86 S B -0.5865 Soluble
87 Y B 0.0000 Buried
88 S B -0.3721 Soluble
89 L B 0.0000 Buried
90 T B -0.5955 Soluble
91 I B 0.0000 Buried
92 S B -1.3457 Soluble
93 S B -1.6394 Soluble
94 M B 0.0000 Buried
95 E B -2.0296 Soluble
96 A B -1.6330 Soluble
97 E B -2.1170 Soluble
98 D B 0.0000 Buried
99 A B -0.9403 Soluble
100 A B 0.0000 Buried
101 T B -0.5506 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 H B 0.0000 Buried
106 Q B 0.0000 Buried
107 R B -0.3274 Soluble
108 S B -0.4167 Soluble
115 S B -0.1680 Soluble
116 Y B 0.0335 Aggregation-prone
117 T B 0.1082 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -0.7836 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -0.6746 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.9055 Soluble
127 K B -1.1723 Soluble
128 R B -0.9482 Soluble
129 T B -0.0386 Soluble
130 V B 0.5694 Aggregation-prone
131 A B 0.0957 Aggregation-prone
132 A B -0.0374 Soluble
133 P B 0.0000 Buried
134 S B -0.2313 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.9152 Soluble
140 P B 0.0000 Buried
141 S B -1.5449 Soluble
142 D B -2.8482 Soluble
143 E B -2.8931 Soluble
144 Q B 0.0000 Buried
145 L B -1.9857 Soluble
146 K B -2.7176 Soluble
147 S B -1.6910 Soluble
148 G B -1.2286 Soluble
149 T B -0.9089 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.8139 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.1598 Soluble
162 R B -2.0257 Soluble
163 E B -2.6925 Soluble
164 A B -2.0646 Soluble
165 K B -2.3351 Soluble
166 V B -1.0116 Soluble
167 Q B -0.7388 Soluble
168 W B 0.0000 Buried
169 K B -0.6504 Soluble
170 V B 0.0000 Buried
171 D B -1.4741 Soluble
172 N B -1.2785 Soluble
173 A B -0.3704 Soluble
174 L B 0.2885 Aggregation-prone
175 Q B -0.3432 Soluble
176 S B -0.5561 Soluble
177 G B -0.8396 Soluble
178 N B -0.7279 Soluble
179 S B -0.9040 Soluble
180 Q B -0.8626 Soluble
181 E B -1.2958 Soluble
182 S B -0.4259 Soluble
183 V B -0.3671 Soluble
184 T B -0.9801 Soluble
185 E B -2.1365 Soluble
186 Q B -1.9042 Soluble
187 D B -2.2372 Soluble
188 S B -1.9034 Soluble
189 K B -2.4850 Soluble
190 D B -2.2045 Soluble
191 S B -1.9196 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.4501 Soluble
199 L B 0.0000 Buried
200 T B -0.2873 Soluble
201 L B -0.4497 Soluble
202 S B -0.9878 Soluble
203 K B -1.8747 Soluble
204 A B -1.5539 Soluble
205 D B -1.8660 Soluble
206 Y B 0.0000 Buried
207 E B -3.3649 Soluble
208 K B -3.3857 Soluble
209 H B -3.0307 Soluble
210 K B -3.3844 Soluble
211 V B -1.8205 Soluble
212 Y B 0.0000 Buried
213 A B -0.7218 Soluble
214 C B 0.0000 Buried
215 E B -0.5110 Soluble
216 V B 0.0000 Buried
217 T B -1.1513 Soluble
218 H B 0.0000 Buried
219 Q B -1.6018 Soluble
220 G B -0.3649 Soluble
221 L B -0.2011 Soluble
222 S B -0.2897 Soluble
223 S B -0.5002 Soluble
224 P B -0.4131 Soluble
225 V B 0.3638 Aggregation-prone
226 T B -0.1777 Soluble
227 K B -0.4835 Soluble
228 S B -0.8631 Soluble
229 F B 0.0000 Buried
230 N B -2.6368 Soluble
231 R B -3.4208 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7259 1.8201 CSV PDB
4.5 -0.7593 1.788 CSV PDB
5.0 -0.7997 1.7477 CSV PDB
5.5 -0.8378 1.7047 CSV PDB
6.0 -0.8627 1.6634 CSV PDB
6.5 -0.8653 1.6275 CSV PDB
7.0 -0.8445 1.5984 CSV PDB
7.5 -0.8079 1.5739 CSV PDB
8.0 -0.7632 1.5692 CSV PDB
8.5 -0.714 1.6877 CSV PDB
9.0 -0.6609 1.807 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH