Basiliximab / 3iu3

A4DAB035_3iu3_C_D | Source PDB: 3iu3 | Chains: C, D | Done
99.1
Yes
10 Å
Yes
Avg A4D Score
-0.6231
Max Score
1.4725
Min Score
-3.481
Total Score
-264.2
Score CDR
-0.3124
Score non-CDR
-0.6564

Calculation Parameters

Chain Sequence(s) QLQQSGTVLARPGASVKMSCKASGYSFTRYWMHWIKQRPGQGLEWIGAIYPGNSDTSYNQKFEGKAKLTAVTSASTAYMELSSLTHEDSAVYYCSRDYGYYFDFWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPQIVSTQSPAIMSASPGEKVTMTCSASSSRSYMQWYQQKPGTSPKRWIYDTSKLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQRSSYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) C (Heavy), D (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 -3.481
Maximum Score 1.4725
Average Score -0.6231
Total Score -264.1959

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

Index Residue Chain A4D Score Classification
3 Q C -1.6166 Soluble
4 L C 0.0000 Buried
5 Q C -2.1468 Soluble
6 Q C 0.0000 Buried
7 S C -0.9994 Soluble
8 G C -0.7441 Soluble
9 T C -0.0656 Soluble
11 V C 0.3327 Aggregation-prone
12 L C 0.5141 Aggregation-prone
13 A C -0.6713 Soluble
14 R C -2.1095 Soluble
15 P C -1.7597 Soluble
16 G C -1.2794 Soluble
17 A C -0.9169 Soluble
18 S C -1.1770 Soluble
19 V C -1.0642 Soluble
20 K C -2.1752 Soluble
21 M C 0.0000 Buried
22 S C -0.9197 Soluble
23 C C 0.0000 Buried
24 K C -1.4108 Soluble
25 A C 0.0000 Buried
26 S C -1.2375 Soluble
27 G C -0.8456 Soluble
28 Y C -0.5803 Soluble
29 S C -0.8133 Soluble
30 F C 0.0000 Buried
35 T C -1.1603 Soluble
36 R C -1.8923 Soluble
37 Y C -0.3294 Soluble
38 W C 0.0415 Aggregation-prone
39 M C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 I C 0.0000 Buried
43 K C 0.0000 Buried
44 Q C -0.8157 Soluble
45 R C -1.5817 Soluble
46 P C -1.1181 Soluble
47 G C -1.3933 Soluble
48 Q C -1.8697 Soluble
49 G C -1.1394 Soluble
50 L C 0.0000 Buried
51 E C -0.7556 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 A C 0.0000 Buried
56 I C 0.0000 Buried
57 Y C -1.1003 Soluble
58 P C 0.0000 Buried
59 G C -1.6984 Soluble
62 N C -2.2625 Soluble
63 S C -1.5414 Soluble
64 D C -2.0965 Soluble
65 T C -1.1523 Soluble
66 S C -0.8169 Soluble
67 Y C -1.3972 Soluble
68 N C -1.9744 Soluble
69 Q C -2.9467 Soluble
70 K C -3.0046 Soluble
71 F C 0.0000 Buried
72 E C -3.3119 Soluble
74 G C -2.3139 Soluble
75 K C -2.1024 Soluble
76 A C 0.0000 Buried
77 K C -2.5995 Soluble
78 L C 0.0000 Buried
79 T C -0.5154 Soluble
80 A C 0.1020 Aggregation-prone
81 V C 0.6142 Aggregation-prone
82 T C 0.0966 Aggregation-prone
83 S C 0.0060 Aggregation-prone
84 A C -0.0429 Soluble
85 S C -0.1831 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.6350 Soluble
89 M C 0.0000 Buried
90 E C -2.2147 Soluble
91 L C 0.0000 Buried
92 S C -1.2413 Soluble
93 S C -0.8587 Soluble
94 L C 0.0000 Buried
95 T C -1.6937 Soluble
96 H C -2.2424 Soluble
97 E C -2.4337 Soluble
98 D C 0.0000 Buried
99 S C -0.9181 Soluble
100 A C 0.0000 Buried
101 V C -0.0057 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 S C 0.0000 Buried
106 R C 0.0000 Buried
107 D C 0.0000 Buried
108 Y C 1.2894 Aggregation-prone
109 G C 0.5911 Aggregation-prone
113 Y C 1.1946 Aggregation-prone
114 Y C 0.5906 Aggregation-prone
115 F C 0.0000 Buried
116 D C 0.2671 Aggregation-prone
117 F C 0.4005 Aggregation-prone
118 W C -0.4026 Soluble
119 G C 0.0000 Buried
120 Q C -1.4359 Soluble
121 G C -0.8605 Soluble
122 T C 0.0000 Buried
123 T C -0.1330 Soluble
124 L C 0.0000 Buried
125 T C -0.4597 Soluble
126 V C 0.0000 Buried
127 S C -0.9892 Soluble
128 S C -1.0373 Soluble
129 A C -0.5699 Soluble
130 S C -0.6135 Soluble
131 T C -0.5553 Soluble
132 K C -1.0533 Soluble
133 G C -1.2533 Soluble
134 P C 0.0000 Buried
135 S C -0.3890 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1769 Soluble
139 L C 0.0000 Buried
140 A C -0.9372 Soluble
141 P C 0.0000 Buried
142 S C -0.8227 Soluble
143 S C -0.7832 Soluble
144 K C -1.0519 Soluble
145 S C 0.0000 Buried
146 T C -0.6488 Soluble
147 S C -0.6240 Soluble
148 G C -0.8242 Soluble
149 G C -0.8733 Soluble
150 T C -0.6071 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.3347 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -1.2137 Soluble
164 P C -1.0550 Soluble
165 V C -0.7729 Soluble
166 T C -0.6420 Soluble
167 V C -0.3591 Soluble
168 S C -0.3505 Soluble
169 W C 0.0000 Buried
170 N C -0.6542 Soluble
171 S C -0.6247 Soluble
172 G C -0.4888 Soluble
173 A C -0.1956 Soluble
174 L C 0.1002 Aggregation-prone
175 T C -0.0917 Soluble
176 S C -0.1531 Soluble
177 G C -0.1702 Soluble
178 V C 0.1970 Aggregation-prone
179 H C -0.1045 Soluble
180 T C 0.0074 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.3159 Soluble
183 A C 0.1482 Aggregation-prone
184 V C 0.6220 Aggregation-prone
185 L C 1.4725 Aggregation-prone
186 Q C 0.3954 Aggregation-prone
187 S C -0.0383 Soluble
188 S C -0.1967 Soluble
189 G C 0.0280 Aggregation-prone
190 L C 0.0473 Aggregation-prone
191 Y C 0.0000 Buried
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1198 Soluble
199 V C 0.0000 Buried
200 P C -0.5460 Soluble
201 S C -0.6021 Soluble
202 S C -0.6198 Soluble
203 S C -0.6565 Soluble
204 L C -0.8048 Soluble
205 G C -1.0154 Soluble
206 T C -0.8336 Soluble
207 Q C -1.2811 Soluble
208 T C -1.1517 Soluble
209 Y C 0.0000 Buried
210 I C -1.2630 Soluble
211 C C 0.0000 Buried
212 N C -1.5550 Soluble
213 V C 0.0000 Buried
214 N C -1.8515 Soluble
215 H C 0.0000 Buried
216 K C -2.7314 Soluble
217 P C -1.6378 Soluble
218 S C -1.7765 Soluble
219 N C -2.4811 Soluble
220 T C -2.0452 Soluble
221 K C -2.7334 Soluble
222 V C -1.8458 Soluble
223 D C -2.7204 Soluble
224 K C -2.4846 Soluble
225 R C -2.7059 Soluble
226 V C 0.0000 Buried
227 E C -2.4259 Soluble
228 P C -1.3802 Soluble
1 Q D -0.9181 Soluble
2 I D 0.3060 Aggregation-prone
3 V D 1.4208 Aggregation-prone
4 S D 0.0000 Buried
5 T D 0.0032 Aggregation-prone
6 Q D -0.4456 Soluble
7 S D -0.2185 Soluble
8 P D 0.1258 Aggregation-prone
9 A D 0.3978 Aggregation-prone
10 I D 1.2507 Aggregation-prone
11 M D 0.5424 Aggregation-prone
12 S D -0.2450 Soluble
13 A D 0.0000 Buried
14 S D -1.4178 Soluble
15 P D -1.7542 Soluble
16 G D -1.6888 Soluble
17 E D -2.2059 Soluble
18 K D -2.4540 Soluble
19 V D 0.0000 Buried
20 T D -0.5115 Soluble
21 M D 0.0000 Buried
22 T D -0.3166 Soluble
23 C D 0.0000 Buried
24 S D -0.1932 Soluble
25 A D 0.1521 Aggregation-prone
26 S D 0.0591 Aggregation-prone
27 S D -0.2517 Soluble
28 S D -0.4188 Soluble
29 R D 0.0000 Buried
37 S D -0.0678 Soluble
38 Y D 0.5902 Aggregation-prone
39 M D 0.0000 Buried
40 Q D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.5346 Soluble
46 P D -1.1612 Soluble
47 G D -0.9657 Soluble
48 T D -1.0702 Soluble
49 S D -0.9005 Soluble
50 P D 0.0000 Buried
51 K D -1.8094 Soluble
52 R D -0.8633 Soluble
53 W D -0.6068 Soluble
54 I D 0.0000 Buried
55 Y D 0.3099 Aggregation-prone
56 D D 0.0000 Buried
57 T D -0.1964 Soluble
65 S D -0.6313 Soluble
66 K D -0.9860 Soluble
67 L D -0.1892 Soluble
68 A D 0.0000 Buried
69 S D -0.4733 Soluble
70 G D -0.5088 Soluble
71 V D 0.0000 Buried
72 P D -0.2161 Soluble
74 A D -0.1773 Soluble
75 R D -0.7925 Soluble
76 F D 0.0000 Buried
77 S D -0.4688 Soluble
78 G D 0.0000 Buried
79 S D -0.5996 Soluble
80 G D -0.5674 Soluble
83 S D -0.5042 Soluble
84 G D -0.5005 Soluble
85 T D -0.4826 Soluble
86 S D -0.6036 Soluble
87 Y D 0.0000 Buried
88 S D -0.4053 Soluble
89 L D 0.0000 Buried
90 T D -0.5852 Soluble
91 I D 0.0000 Buried
92 S D -1.3066 Soluble
93 S D -1.6233 Soluble
94 M D 0.0000 Buried
95 E D -2.2647 Soluble
96 A D -1.7497 Soluble
97 E D -2.2436 Soluble
98 D D 0.0000 Buried
99 A D -0.9836 Soluble
100 A D 0.0000 Buried
101 T D -0.4359 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 H D 0.0000 Buried
106 Q D 0.0000 Buried
107 R D -0.3076 Soluble
108 S D -0.3304 Soluble
115 S D -0.2112 Soluble
116 Y D -0.0097 Soluble
117 T D 0.1260 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.6833 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -0.3427 Soluble
124 L D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.9263 Soluble
127 K D -1.0511 Soluble
128 R D -0.7822 Soluble
129 T D 0.0415 Aggregation-prone
130 V D 0.7003 Aggregation-prone
131 A D 0.1860 Aggregation-prone
132 A D -0.0310 Soluble
133 P D 0.0000 Buried
134 S D -0.1124 Soluble
135 V D -0.0104 Soluble
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.7822 Soluble
140 P D -0.7646 Soluble
141 S D -1.5416 Soluble
142 D D -2.8527 Soluble
143 E D -2.7741 Soluble
144 Q D 0.0000 Buried
145 L D -2.0258 Soluble
146 K D -2.7503 Soluble
147 S D -1.7792 Soluble
148 G D -1.2261 Soluble
149 T D -0.9733 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.7069 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.1462 Soluble
162 R D -2.0758 Soluble
163 E D -2.7106 Soluble
164 A D -2.0725 Soluble
165 K D -2.2789 Soluble
166 V D -0.9503 Soluble
167 Q D -0.5839 Soluble
168 W D 0.0000 Buried
169 K D -0.5771 Soluble
170 V D 0.0000 Buried
171 D D -1.6659 Soluble
172 N D -1.2354 Soluble
173 A D -0.1603 Soluble
174 L D 0.7357 Aggregation-prone
175 Q D -0.1610 Soluble
176 S D -0.4903 Soluble
177 G D -0.8529 Soluble
178 N D -0.7193 Soluble
179 S D -1.0454 Soluble
180 Q D -1.1531 Soluble
181 E D -1.8148 Soluble
182 S D -0.9303 Soluble
183 V D -0.6033 Soluble
184 T D -1.0412 Soluble
185 E D -2.1310 Soluble
186 Q D -1.7594 Soluble
187 D D -1.8969 Soluble
188 S D -1.6563 Soluble
189 K D -2.1602 Soluble
190 D D -1.5746 Soluble
191 S D -1.5454 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6152 Soluble
199 L D 0.0000 Buried
200 T D -0.3554 Soluble
201 L D -0.6521 Soluble
202 S D -1.1267 Soluble
203 K D -2.0521 Soluble
204 A D -1.9342 Soluble
205 D D -2.7230 Soluble
206 Y D 0.0000 Buried
207 E D -3.4617 Soluble
208 K D -3.4810 Soluble
209 H D -2.9544 Soluble
210 K D -3.1963 Soluble
211 V D -1.8059 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D 0.0000 Buried
216 V D 0.0000 Buried
217 T D -1.0637 Soluble
218 H D 0.0000 Buried
219 Q D -1.6377 Soluble
220 G D -0.3946 Soluble
221 L D -0.1052 Soluble
222 S D -0.2680 Soluble
223 S D -0.4272 Soluble
224 P D -0.2944 Soluble
225 V D 0.5800 Aggregation-prone
226 T D -0.0204 Soluble
227 K D -0.4066 Soluble
228 S D -0.8281 Soluble
229 F D 0.0000 Buried
230 N D -2.3534 Soluble
231 R D -2.5400 Soluble
232 G D -1.5785 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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 -0.7074 1.9175 CSV PDB
4.5 -0.7429 1.9182 CSV PDB
5.0 -0.7852 1.9202 CSV PDB
5.5 -0.8252 1.9263 CSV PDB
6.0 -0.8521 1.9431 CSV PDB
6.5 -0.8562 1.9801 CSV PDB
7.0 -0.8363 2.0412 CSV PDB
7.5 -0.8005 2.1187 CSV PDB
8.0 -0.7568 2.2036 CSV PDB
8.5 -0.7083 2.2911 CSV PDB
9.0 -0.6556 2.3791 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH