Daclizumab / 3nfp

A4DAB079_3nfp_H_L | Source PDB: 3nfp | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7437
Max Score
1.3933
Min Score
-3.8902
Total Score
-316.82
Score CDR
-0.2778
Score non-CDR
-0.7947

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSSASTKGPSVFPLAPKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTEFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8902
Maximum Score 1.3933
Average Score -0.7437
Total Score -316.8186

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

Index Residue Chain A4D Score Classification
1 Q H -1.3449 Soluble
2 V H -0.7771 Soluble
3 Q H -0.9974 Soluble
4 L H 0.0000 Buried
5 V H -0.2036 Soluble
6 Q H -0.5354 Soluble
7 S H -0.6777 Soluble
8 G H -0.5146 Soluble
9 A H 0.1622 Aggregation-prone
11 E H -0.2574 Soluble
12 V H 0.4266 Aggregation-prone
13 K H -1.0905 Soluble
14 K H -1.9617 Soluble
15 P H -1.9599 Soluble
16 G H -1.6032 Soluble
17 S H -1.1654 Soluble
18 S H -1.3103 Soluble
19 V H -1.0670 Soluble
20 K H -2.0475 Soluble
21 V H 0.0000 Buried
22 S H -0.7188 Soluble
23 C H 0.0000 Buried
24 K H -1.2990 Soluble
25 A H 0.0000 Buried
26 S H -0.9088 Soluble
27 G H -0.8952 Soluble
28 Y H -0.2413 Soluble
29 T H -0.1066 Soluble
30 F H 0.0000 Buried
35 T H -0.7598 Soluble
36 S H -0.2675 Soluble
37 Y H -0.2579 Soluble
38 R H -0.8209 Soluble
39 M 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 -0.4340 Soluble
44 Q H -0.4416 Soluble
45 A H 0.0000 Buried
46 P H -0.8523 Soluble
47 G H -1.3688 Soluble
48 Q H -1.8647 Soluble
49 G H -1.3590 Soluble
50 L H 0.0000 Buried
51 E H -0.6029 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.0000 Buried
56 I H 0.0000 Buried
57 N H -0.3575 Soluble
58 P H -0.8989 Soluble
59 S H -0.6833 Soluble
62 T H -0.0864 Soluble
63 G H -0.1253 Soluble
64 Y H 0.7203 Aggregation-prone
65 T H 0.1414 Aggregation-prone
66 E H -0.3915 Soluble
67 Y H -1.1644 Soluble
68 N H -1.6686 Soluble
69 Q H -2.8234 Soluble
70 K H -3.1227 Soluble
71 F H 0.0000 Buried
72 K H -3.5848 Soluble
74 D H -3.2325 Soluble
75 K H -2.3130 Soluble
76 A H 0.0000 Buried
77 T H -1.1773 Soluble
78 I H 0.0000 Buried
79 T H -0.2358 Soluble
80 A H -1.0310 Soluble
81 D H -1.9951 Soluble
82 E H -2.5780 Soluble
83 S H -1.5270 Soluble
84 T H -1.4168 Soluble
85 N H -1.9025 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6361 Soluble
89 M H 0.0000 Buried
90 E H -1.5736 Soluble
91 L H 0.0000 Buried
92 S H -1.4108 Soluble
93 S H -1.3661 Soluble
94 L H 0.0000 Buried
95 R H -3.0741 Soluble
96 S H -2.3669 Soluble
97 E H -2.5637 Soluble
98 D H -1.7547 Soluble
99 T H -0.7582 Soluble
100 A H 0.0000 Buried
101 V H 0.6378 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 -0.6325 Soluble
107 G H 0.0000 Buried
108 G H -0.8359 Soluble
109 G H -0.7654 Soluble
114 V H -0.3455 Soluble
115 F H 0.0000 Buried
116 D H -1.5353 Soluble
117 Y H -0.4838 Soluble
118 W H -0.6811 Soluble
119 G H 0.0000 Buried
120 Q H -1.4829 Soluble
121 G H -0.5797 Soluble
122 T H 0.0000 Buried
123 L H 1.1866 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2715 Soluble
126 V H 0.0000 Buried
127 S H -1.0042 Soluble
128 S H -0.9909 Soluble
129 A H -0.6461 Soluble
130 S H -0.7228 Soluble
131 T H -0.6982 Soluble
132 K H -1.3579 Soluble
133 G H -1.5866 Soluble
134 P H -0.8124 Soluble
135 S H -0.4348 Soluble
136 V H 0.0000 Buried
137 F H -0.7386 Soluble
138 P H -1.0281 Soluble
139 L H 0.0000 Buried
140 A H -0.6760 Soluble
141 P H -0.8710 Soluble
142 K H -1.9751 Soluble
143 S H -1.3336 Soluble
144 T H -0.8389 Soluble
145 S H -1.0163 Soluble
146 G H -1.1182 Soluble
147 G H -1.0890 Soluble
148 T H -0.7845 Soluble
149 A H 0.0000 Buried
150 A H 0.0000 Buried
151 L H 0.0000 Buried
152 G H 0.0000 Buried
153 C H 0.0000 Buried
154 L H 0.0000 Buried
155 V H 0.0000 Buried
156 K H 0.0000 Buried
157 D H -1.1441 Soluble
158 Y H 0.0000 Buried
159 F H 0.0000 Buried
160 P H -0.9718 Soluble
161 E H -1.4126 Soluble
162 P H -1.1579 Soluble
163 V H -0.5253 Soluble
164 T H -0.5662 Soluble
165 V H -0.1387 Soluble
166 S H -0.3241 Soluble
167 W H 0.0000 Buried
168 N H -0.6305 Soluble
169 S H -0.6005 Soluble
170 G H -0.5491 Soluble
171 A H -0.2133 Soluble
172 L H 0.0131 Aggregation-prone
173 T H -0.1287 Soluble
174 S H -0.1549 Soluble
175 G H -0.2036 Soluble
176 V H 0.2208 Aggregation-prone
177 H H -0.1089 Soluble
178 T H 0.0653 Aggregation-prone
179 F H 0.0000 Buried
180 P H -0.4342 Soluble
181 A H 0.1614 Aggregation-prone
182 V H 0.6363 Aggregation-prone
183 L H 1.3933 Aggregation-prone
184 Q H 0.1975 Aggregation-prone
185 S H -0.0859 Soluble
186 S H -0.2976 Soluble
187 G H -0.0401 Soluble
188 L H -0.1750 Soluble
189 Y H 0.0815 Aggregation-prone
190 S H 0.0000 Buried
191 L H 0.2533 Aggregation-prone
192 S H 0.0516 Aggregation-prone
193 S H 0.0000 Buried
194 V H 0.0000 Buried
195 V H 0.0000 Buried
196 T H -0.1283 Soluble
197 V H 0.0000 Buried
198 P H -0.5347 Soluble
199 S H 0.0000 Buried
200 S H -0.9163 Soluble
201 S H -0.6830 Soluble
202 L H -1.1247 Soluble
203 G H -1.0607 Soluble
204 T H -0.8872 Soluble
205 Q H -1.3693 Soluble
206 T H -1.1911 Soluble
207 Y H 0.0000 Buried
208 I H -1.1193 Soluble
209 C H 0.0000 Buried
210 N H -1.3670 Soluble
211 V H 0.0000 Buried
212 N H -1.7673 Soluble
213 H H 0.0000 Buried
214 K H -2.7445 Soluble
215 P H -1.7033 Soluble
216 S H -1.8566 Soluble
217 N H -2.4113 Soluble
218 T H -1.9772 Soluble
219 K H -2.5461 Soluble
220 V H -1.4560 Soluble
221 D H -2.4781 Soluble
222 K H -2.1159 Soluble
223 K H -2.6376 Soluble
224 V H 0.0000 Buried
225 E H -2.4020 Soluble
226 P H -1.4990 Soluble
1 D L -1.8665 Soluble
2 I L -1.3843 Soluble
3 Q L -1.8180 Soluble
4 M L 0.0000 Buried
5 T L -0.7625 Soluble
6 Q L 0.0000 Buried
7 S L -0.5135 Soluble
8 P L -0.5686 Soluble
9 S L -0.9477 Soluble
10 T L -0.8066 Soluble
11 L L -0.5588 Soluble
12 S L -0.8128 Soluble
13 A L -0.6954 Soluble
14 S L -0.4644 Soluble
15 V L 0.4639 Aggregation-prone
16 G L -0.6959 Soluble
17 D L -1.6805 Soluble
18 R L -2.3186 Soluble
19 V L 0.0000 Buried
20 T L -0.5087 Soluble
21 I L 0.0000 Buried
22 T L -0.5619 Soluble
23 C L 0.0000 Buried
24 S L -1.1469 Soluble
25 A L -1.0129 Soluble
26 S L -1.1402 Soluble
27 S L -0.9985 Soluble
28 S L -0.6454 Soluble
29 I L 0.0000 Buried
37 S L 0.0458 Aggregation-prone
38 Y L 0.8774 Aggregation-prone
39 M L 0.0000 Buried
40 H 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 -1.2814 Soluble
45 K L -1.6313 Soluble
46 P L -1.1816 Soluble
47 G L -1.6283 Soluble
48 K L -2.4449 Soluble
49 A L -1.5517 Soluble
50 P L 0.0000 Buried
51 K L -1.7498 Soluble
52 L L -0.6236 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.7083 Aggregation-prone
56 T L 0.5071 Aggregation-prone
57 T L 0.2011 Aggregation-prone
65 S L -0.1806 Soluble
66 N L -0.3562 Soluble
67 L L 0.2094 Aggregation-prone
68 A L -0.2126 Soluble
69 S L -0.2901 Soluble
70 G L -0.3665 Soluble
71 V L 0.0084 Aggregation-prone
72 P L -0.1548 Soluble
74 A L -0.1236 Soluble
75 R L -0.6533 Soluble
76 F L 0.0000 Buried
77 S L -0.2595 Soluble
78 G L 0.0000 Buried
79 S L -0.6041 Soluble
80 G L -0.9012 Soluble
83 S L -0.8510 Soluble
84 G L -0.8990 Soluble
85 T L -1.2118 Soluble
86 E L -2.1734 Soluble
87 F L 0.0000 Buried
88 T L -0.6354 Soluble
89 L L 0.0000 Buried
90 T L -0.5648 Soluble
91 I L 0.0000 Buried
92 S L -1.3070 Soluble
93 S L -1.1832 Soluble
94 L L 0.0000 Buried
95 Q L -0.8616 Soluble
96 P L -0.8631 Soluble
97 D L -1.8250 Soluble
98 D L 0.0000 Buried
99 F L -0.4733 Soluble
100 A L 0.0000 Buried
101 T L -0.9292 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 -0.8470 Soluble
108 S L -0.4075 Soluble
109 T L -0.1876 Soluble
114 Y L 0.3305 Aggregation-prone
115 P L -0.4542 Soluble
116 L L 0.0000 Buried
117 T L -0.6731 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6798 Soluble
121 G L -1.2642 Soluble
122 T L 0.0000 Buried
123 K L -1.8203 Soluble
124 V L 0.0000 Buried
125 E L -0.8723 Soluble
126 V L -0.4351 Soluble
127 K L -1.5028 Soluble
128 R L -1.2752 Soluble
129 T L -0.1203 Soluble
130 V L 0.6968 Aggregation-prone
131 A L 0.2235 Aggregation-prone
132 A L -0.1059 Soluble
133 P L 0.0000 Buried
134 S L -0.2121 Soluble
135 V L 0.0000 Buried
136 F L 0.1346 Aggregation-prone
137 I L 0.1908 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4841 Soluble
140 P L -0.7522 Soluble
141 S L -1.5966 Soluble
142 D L -2.9860 Soluble
143 E L -3.0532 Soluble
144 Q L 0.0000 Buried
145 L L -2.3587 Soluble
146 K L -2.9017 Soluble
147 S L -1.8951 Soluble
148 G L -1.3582 Soluble
149 T L -1.1541 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 -0.4844 Soluble
158 N L -0.9297 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8107 Soluble
162 R L -2.8188 Soluble
163 E L -3.1785 Soluble
164 A L -2.1127 Soluble
165 K L -1.9291 Soluble
166 V L -0.9723 Soluble
167 Q L -0.9661 Soluble
168 W L 0.0000 Buried
169 K L -1.0005 Soluble
170 V L 0.0000 Buried
171 D L -1.7873 Soluble
172 N L -1.5817 Soluble
173 A L -0.7247 Soluble
174 L L -0.1134 Soluble
175 Q L -0.7524 Soluble
176 S L -0.8410 Soluble
177 G L -1.1730 Soluble
178 N L -1.3742 Soluble
179 S L -1.3694 Soluble
180 Q L -1.2949 Soluble
181 E L -1.8014 Soluble
182 S L -0.6704 Soluble
183 V L -0.6158 Soluble
184 T L -0.9104 Soluble
185 E L -2.0841 Soluble
186 Q L -2.0280 Soluble
187 D L -2.3642 Soluble
188 S L -1.9018 Soluble
189 K L -2.4278 Soluble
190 D L -2.0078 Soluble
191 S L -2.0034 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 -0.4798 Soluble
197 S L 0.0000 Buried
198 T L 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.3950 Soluble
201 L L -0.8801 Soluble
202 S L -1.3229 Soluble
203 K L -2.4753 Soluble
204 A L -2.2797 Soluble
205 D L -3.2295 Soluble
206 Y L 0.0000 Buried
207 E L -3.8902 Soluble
208 K L -3.8891 Soluble
209 H L -3.1188 Soluble
210 K L -3.1213 Soluble
211 V L -1.4501 Soluble
212 Y L 0.0000 Buried
213 A L -0.7408 Soluble
214 C L 0.0000 Buried
215 E L -1.0833 Soluble
216 V L 0.0000 Buried
217 T L -1.1537 Soluble
218 H L 0.0000 Buried
219 Q L -1.6845 Soluble
220 G L -0.4006 Soluble
221 L L -0.1874 Soluble
222 S L -0.4391 Soluble
223 S L -0.4212 Soluble
224 P L -0.5628 Soluble
225 V L -0.1503 Soluble
226 T L -0.5871 Soluble
227 K L -0.7525 Soluble
228 S L -0.5575 Soluble
229 F L -1.0069 Soluble
230 N L -2.0750 Soluble
231 R L -2.7324 Soluble
232 G L -2.0955 Soluble
233 E L -2.5851 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
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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 -0.7751 2.0312 CSV PDB
4.5 -0.823 1.8413 CSV PDB
5.0 -0.8807 1.7317 CSV PDB
5.5 -0.9363 1.6875 CSV PDB
6.0 -0.9767 1.6457 CSV PDB
6.5 -0.9911 1.6132 CSV PDB
7.0 -0.9783 1.5941 CSV PDB
7.5 -0.9467 1.5859 CSV PDB
8.0 -0.9046 1.5829 CSV PDB
8.5 -0.8552 1.5819 CSV PDB
9.0 -0.7987 1.5816 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH