Daclizumab / 3nfs

A4DAB079_3nfs_H_L | Source PDB: 3nfs | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7131
Max Score
1.3735
Min Score
-3.7671
Total Score
-300.23
Score CDR
-0.295
Score non-CDR
-0.7595

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTEFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7671
Maximum Score 1.3735
Average Score -0.7131
Total Score -300.2271

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

Index Residue Chain A4D Score Classification
1 Q H -1.5204 Soluble
2 V H -1.0409 Soluble
3 Q H -1.1445 Soluble
4 L H 0.0000 Buried
5 V H 0.3570 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.4577 Soluble
8 G H -0.4498 Soluble
9 A H 0.0547 Aggregation-prone
11 E H -0.1527 Soluble
12 V H 0.3450 Aggregation-prone
13 K H -1.1060 Soluble
14 K H -1.9658 Soluble
15 P H -2.2176 Soluble
16 G H -1.6185 Soluble
17 S H -1.2916 Soluble
18 S H -1.4487 Soluble
19 V H 0.0000 Buried
20 K H -2.0470 Soluble
21 V H 0.0000 Buried
22 S H -0.5418 Soluble
23 C H 0.0000 Buried
24 K H -0.8272 Soluble
25 A H 0.0000 Buried
26 S H -0.8292 Soluble
27 G H -1.0177 Soluble
28 Y H -0.3640 Soluble
29 T H -0.1106 Soluble
30 F H 0.0000 Buried
35 T H -0.8596 Soluble
36 S H -0.3446 Soluble
37 Y H -0.4279 Soluble
38 R H -0.9852 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 -0.3147 Soluble
44 Q H 0.0000 Buried
45 A H -0.8790 Soluble
46 P H -0.8993 Soluble
47 G H -1.3583 Soluble
48 Q H -1.8196 Soluble
49 G H -1.3696 Soluble
50 L H 0.0000 Buried
51 E H -0.7945 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 -0.5200 Soluble
58 P H 0.0000 Buried
59 S H -0.7346 Soluble
62 T H -0.1103 Soluble
63 G H -0.3386 Soluble
64 Y H 0.6738 Aggregation-prone
65 T H 0.0005 Aggregation-prone
66 E H -0.6326 Soluble
67 Y H -1.2693 Soluble
68 N H 0.0000 Buried
69 Q H -3.0471 Soluble
70 K H -3.1282 Soluble
71 F H 0.0000 Buried
72 K H -3.5522 Soluble
74 D H -3.2774 Soluble
75 K H -2.2367 Soluble
76 A H 0.0000 Buried
77 T H -1.1353 Soluble
78 I H 0.0000 Buried
79 T H -0.2740 Soluble
80 A H -0.8321 Soluble
81 D H -1.6413 Soluble
82 E H -2.3639 Soluble
83 S H -1.3680 Soluble
84 T H -1.1807 Soluble
85 N H -1.4884 Soluble
86 T H -1.0087 Soluble
87 A H 0.0000 Buried
88 Y H -0.5682 Soluble
89 M H 0.0000 Buried
90 E H -1.4477 Soluble
91 L H 0.0000 Buried
92 S H -1.4522 Soluble
93 S H -1.4801 Soluble
94 L H 0.0000 Buried
95 R H -3.1322 Soluble
96 S H -2.3468 Soluble
97 E H -2.5421 Soluble
98 D H 0.0000 Buried
99 T H -0.8111 Soluble
100 A H 0.0000 Buried
101 V H 0.3190 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 -0.7200 Soluble
107 G H -0.8092 Soluble
108 G H -0.7666 Soluble
109 G H -0.8060 Soluble
114 V H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -1.4180 Soluble
117 Y H -0.6291 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2300 Soluble
121 G H -0.5238 Soluble
122 T H 0.0000 Buried
123 L H 0.5770 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2154 Soluble
128 S H -1.0172 Soluble
129 A H -0.5360 Soluble
130 S H -0.6054 Soluble
131 T H -0.5735 Soluble
132 K H -1.2447 Soluble
133 G H -1.3623 Soluble
134 P H 0.0000 Buried
135 S H -0.4431 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1277 Soluble
139 L H 0.0000 Buried
140 A H -0.6475 Soluble
141 P H -0.5400 Soluble
142 G H -0.6554 Soluble
143 T H -0.4579 Soluble
144 A H -0.2493 Soluble
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 0.0000 Buried
152 D H -0.4130 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.7248 Soluble
157 P H -0.9031 Soluble
158 V H -0.7027 Soluble
159 T H -0.5735 Soluble
160 V H -0.1507 Soluble
161 S H -0.3571 Soluble
162 W H 0.0000 Buried
163 N H -0.6885 Soluble
164 S H -0.6648 Soluble
165 G H -0.4634 Soluble
166 A H -0.1832 Soluble
167 L H 0.0942 Aggregation-prone
168 T H -0.1007 Soluble
169 S H -0.1829 Soluble
170 G H -0.2651 Soluble
171 V H 0.1505 Aggregation-prone
172 H H -0.1331 Soluble
173 T H -0.0264 Soluble
174 F H 0.0000 Buried
175 P H -0.4393 Soluble
176 A H 0.2171 Aggregation-prone
177 V H 0.5552 Aggregation-prone
178 L H 1.3735 Aggregation-prone
179 Q H 0.2746 Aggregation-prone
180 S H -0.0177 Soluble
181 S H -0.1537 Soluble
182 G H 0.0718 Aggregation-prone
183 L H 0.1304 Aggregation-prone
184 Y H 0.4143 Aggregation-prone
185 S H 0.0000 Buried
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 -0.1528 Soluble
192 V H 0.0000 Buried
193 P H -0.6262 Soluble
194 S H -0.6680 Soluble
195 S H -0.6356 Soluble
196 S H -0.7335 Soluble
197 L H -1.0189 Soluble
198 G H -1.1936 Soluble
199 T H -1.0523 Soluble
200 Q H -1.5252 Soluble
201 T H -1.1314 Soluble
202 Y H 0.0000 Buried
203 I H -0.9906 Soluble
204 C H 0.0000 Buried
205 N H -1.4203 Soluble
206 V H 0.0000 Buried
207 N H -1.7925 Soluble
208 H H 0.0000 Buried
209 K H -2.7362 Soluble
210 P H -1.5156 Soluble
211 S H -1.7936 Soluble
212 N H -2.5323 Soluble
213 T H -2.0432 Soluble
214 K H -2.6725 Soluble
215 V H -1.6575 Soluble
216 D H -2.4115 Soluble
217 K H -1.9184 Soluble
218 K H -2.0119 Soluble
219 V H 0.0000 Buried
220 E H -2.4619 Soluble
221 P H -1.2697 Soluble
1 D L -1.9872 Soluble
2 I L -1.2457 Soluble
3 Q L -1.7160 Soluble
4 M L 0.0000 Buried
5 T L -0.7703 Soluble
6 Q L 0.0000 Buried
7 S L -0.5839 Soluble
8 P L -0.4940 Soluble
9 S L -0.9065 Soluble
10 T L -0.8275 Soluble
11 L L -0.5789 Soluble
12 S L -0.9848 Soluble
13 A L 0.0000 Buried
14 S L -0.6331 Soluble
15 V L 0.4673 Aggregation-prone
16 G L -0.6821 Soluble
17 D L -1.5749 Soluble
18 R L -2.2949 Soluble
19 V L 0.0000 Buried
20 T L -0.6186 Soluble
21 I L 0.0000 Buried
22 T L -0.5457 Soluble
23 C L 0.0000 Buried
24 S L -1.0039 Soluble
25 A L -1.0126 Soluble
26 S L -1.1144 Soluble
27 S L -0.9754 Soluble
28 S L -0.5770 Soluble
29 I L 0.0000 Buried
37 S L -0.0444 Soluble
38 Y L 0.5823 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 0.0000 Buried
45 K L -1.6184 Soluble
46 P L -1.4757 Soluble
47 G L -1.4773 Soluble
48 K L -2.2131 Soluble
49 A L -1.3307 Soluble
50 P L 0.0000 Buried
51 K L -1.6065 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.3697 Aggregation-prone
56 T L 0.2311 Aggregation-prone
57 T L 0.0633 Aggregation-prone
65 S L -0.3177 Soluble
66 N L -0.4111 Soluble
67 L L 0.1684 Aggregation-prone
68 A L -0.2628 Soluble
69 S L -0.3422 Soluble
70 G L -0.4216 Soluble
71 V L -0.1989 Soluble
72 P L -0.1850 Soluble
74 A L -0.1572 Soluble
75 R L -0.7338 Soluble
76 F L 0.0000 Buried
77 S L -0.4426 Soluble
78 G L -0.3693 Soluble
79 S L -0.7322 Soluble
80 G L -0.9940 Soluble
83 S L -0.9218 Soluble
84 G L -0.9346 Soluble
85 T L -1.1665 Soluble
86 E L -2.0381 Soluble
87 F L 0.0000 Buried
88 T L -0.6628 Soluble
89 L L 0.0000 Buried
90 T L -0.6528 Soluble
91 I L 0.0000 Buried
92 S L -1.4798 Soluble
93 S L -1.1365 Soluble
94 L L 0.0000 Buried
95 Q L -0.8647 Soluble
96 P L -0.9513 Soluble
97 D L -1.8435 Soluble
98 D L 0.0000 Buried
99 F L -0.6565 Soluble
100 A L -0.9133 Soluble
101 T L 0.0000 Buried
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 -0.6215 Soluble
108 S L -0.2441 Soluble
109 T L -0.2430 Soluble
114 Y L 0.0444 Aggregation-prone
115 P L 0.0000 Buried
116 L L 0.0000 Buried
117 T L 0.0000 Buried
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8695 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9702 Soluble
124 V L 0.0000 Buried
125 E L -1.3596 Soluble
126 V L -0.8931 Soluble
127 K L -1.6433 Soluble
128 R L -1.8128 Soluble
129 T L -0.3088 Soluble
130 V L 0.6985 Aggregation-prone
131 A L 0.1193 Aggregation-prone
132 A L 0.0107 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1202 Soluble
135 V L 0.0000 Buried
136 F L 0.2115 Aggregation-prone
137 I L 0.1377 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.8268 Soluble
140 P L -0.9214 Soluble
141 S L -1.7429 Soluble
142 D L -3.0757 Soluble
143 E L -3.1780 Soluble
144 Q L 0.0000 Buried
145 L L -2.2379 Soluble
146 K L -2.9077 Soluble
147 S L -1.7868 Soluble
148 G L -1.4355 Soluble
149 T L -1.0808 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 -1.0700 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7747 Soluble
162 R L -3.0002 Soluble
163 E L -3.2605 Soluble
164 A L -2.3943 Soluble
165 K L -2.3942 Soluble
166 V L -0.8766 Soluble
167 Q L -0.6595 Soluble
168 W L 0.0000 Buried
169 K L -0.7490 Soluble
170 V L 0.0000 Buried
171 D L -2.0143 Soluble
172 N L -1.6640 Soluble
173 A L -0.5438 Soluble
174 L L 0.1217 Aggregation-prone
175 Q L -0.6609 Soluble
176 S L -0.8235 Soluble
177 G L -1.4511 Soluble
178 N L -1.8646 Soluble
179 S L -1.6384 Soluble
180 Q L -1.7429 Soluble
181 E L -1.4067 Soluble
182 S L -0.7883 Soluble
183 V L -0.7364 Soluble
184 T L -1.2112 Soluble
185 E L -2.2827 Soluble
186 Q L -2.0640 Soluble
187 D L -2.0267 Soluble
188 S L -1.8473 Soluble
189 K L -2.5315 Soluble
190 D L -2.4532 Soluble
191 S L 0.0000 Buried
192 T L -1.7533 Soluble
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 -0.8033 Soluble
199 L L 0.0000 Buried
200 T L -0.7123 Soluble
201 L L -0.8767 Soluble
202 S L -1.2277 Soluble
203 K L -2.1969 Soluble
204 A L -2.1002 Soluble
205 D L -3.1057 Soluble
206 Y L 0.0000 Buried
207 E L -3.5985 Soluble
208 K L -3.7671 Soluble
209 H L -3.2890 Soluble
210 K L -3.1785 Soluble
211 V L -1.5499 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5809 Soluble
216 V L 0.0000 Buried
217 T L -1.2152 Soluble
218 H L 0.0000 Buried
219 Q L -1.4723 Soluble
220 G L -0.2828 Soluble
221 L L -0.2237 Soluble
222 S L -0.5130 Soluble
223 S L -0.4230 Soluble
224 P L -0.5214 Soluble
225 V L 0.0927 Aggregation-prone
226 T L -0.3327 Soluble
227 K L -0.4956 Soluble
228 S L -0.5177 Soluble
229 F L -1.0913 Soluble
230 N L -2.2405 Soluble
231 R L -2.7316 Soluble
232 G L -2.2517 Soluble
233 E L -2.3968 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 -0.745 2.5115 CSV PDB
4.5 -0.7915 2.4617 CSV PDB
5.0 -0.8457 2.3944 CSV PDB
5.5 -0.8974 2.3209 CSV PDB
6.0 -0.935 2.2524 CSV PDB
6.5 -0.9484 2.2005 CSV PDB
7.0 -0.9366 2.1711 CSV PDB
7.5 -0.908 2.1585 CSV PDB
8.0 -0.8701 2.1541 CSV PDB
8.5 -0.8254 2.1526 CSV PDB
9.0 -0.7739 2.1521 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH