Daclizumab / 3nfp

A4DAB079_3nfp_A_B | Source PDB: 3nfp | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7182
Max Score
1.2255
Min Score
-3.8457
Total Score
-305.23
Score CDR
-0.274
Score non-CDR
-0.7669

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSSASTKGPSVFPLAPSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTEFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8457
Maximum Score 1.2255
Average Score -0.7182
Total Score -305.2267

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

Index Residue Chain A4D Score Classification
1 Q A -1.5250 Soluble
2 V A -1.0005 Soluble
3 Q A -1.5186 Soluble
4 L A 0.0000 Buried
5 V A -0.2140 Soluble
6 Q A -0.4658 Soluble
7 S A -0.7047 Soluble
8 G A -0.5561 Soluble
9 A A 0.1673 Aggregation-prone
11 E A -0.2245 Soluble
12 V A 0.9486 Aggregation-prone
13 K A -0.7701 Soluble
14 K A -1.6633 Soluble
15 P A -1.7122 Soluble
16 G A -1.4557 Soluble
17 S A -1.1489 Soluble
18 S A -1.2177 Soluble
19 V A 0.0000 Buried
20 K A -2.0973 Soluble
21 V A 0.0000 Buried
22 S A -0.7221 Soluble
23 C A 0.0000 Buried
24 K A -1.3904 Soluble
25 A A 0.0000 Buried
26 S A -1.0646 Soluble
27 G A -1.0349 Soluble
28 Y A -0.3401 Soluble
29 T A -0.2717 Soluble
30 F A 0.0000 Buried
35 T A -0.8098 Soluble
36 S A -0.3068 Soluble
37 Y A -0.3149 Soluble
38 R A -0.9971 Soluble
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.4046 Soluble
44 Q A -0.7304 Soluble
45 A A -1.0772 Soluble
46 P A -0.9162 Soluble
47 G A -1.3301 Soluble
48 Q A -1.8678 Soluble
49 G A -1.3738 Soluble
50 L A 0.0000 Buried
51 E A -0.8361 Soluble
52 W A 0.0000 Buried
53 I A 0.0000 Buried
54 G A 0.0000 Buried
55 Y A 0.0000 Buried
56 I A 0.0000 Buried
57 N A -0.4583 Soluble
58 P A -0.9768 Soluble
59 S A -0.7200 Soluble
62 T A -0.0648 Soluble
63 G A -0.0835 Soluble
64 Y A 0.8624 Aggregation-prone
65 T A 0.1942 Aggregation-prone
66 E A -0.1606 Soluble
67 Y A -1.0626 Soluble
68 N A 0.0000 Buried
69 Q A -2.7929 Soluble
70 K A -3.1612 Soluble
71 F A 0.0000 Buried
72 K A -3.5425 Soluble
74 D A -3.2333 Soluble
75 K A -2.2266 Soluble
76 A A 0.0000 Buried
77 T A -1.1421 Soluble
78 I A 0.0000 Buried
79 T A -0.1725 Soluble
80 A A -0.8755 Soluble
81 D A -1.7466 Soluble
82 E A -2.4141 Soluble
83 S A -1.4130 Soluble
84 T A -1.2626 Soluble
85 N A -1.6274 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.6093 Soluble
89 M A 0.0000 Buried
90 E A -1.7139 Soluble
91 L A 0.0000 Buried
92 S A -1.4007 Soluble
93 S A -1.3950 Soluble
94 L A 0.0000 Buried
95 R A -2.7142 Soluble
96 S A -2.1546 Soluble
97 E A -2.4441 Soluble
98 D A 0.0000 Buried
99 T A -0.5949 Soluble
100 A A 0.0000 Buried
101 V A 0.4370 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.5216 Soluble
107 G A 0.0000 Buried
108 G A -0.7615 Soluble
109 G A -0.6382 Soluble
114 V A -0.1749 Soluble
115 F A 0.0000 Buried
116 D A -1.0689 Soluble
117 Y A -0.3157 Soluble
118 W A -0.6592 Soluble
119 G A 0.0000 Buried
120 Q A -1.5743 Soluble
121 G A -0.6421 Soluble
122 T A 0.0000 Buried
123 L A 1.2255 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0027 Aggregation-prone
126 V A 0.0000 Buried
127 S A -0.9963 Soluble
128 S A -1.0238 Soluble
129 A A -0.6420 Soluble
130 S A -0.5319 Soluble
131 T A -0.8558 Soluble
132 K A -1.3296 Soluble
133 G A -1.5554 Soluble
134 P A -0.7921 Soluble
135 S A -0.3932 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1859 Soluble
139 L A 0.0000 Buried
140 A A -0.5539 Soluble
141 P A -0.4501 Soluble
142 S A -0.6390 Soluble
143 T A -0.7067 Soluble
144 S A -0.7252 Soluble
145 G A -0.9414 Soluble
146 G A -0.8998 Soluble
147 T A -0.5924 Soluble
148 A A 0.0000 Buried
149 A A 0.0000 Buried
150 L A 0.0000 Buried
151 G A 0.0000 Buried
152 C A 0.0000 Buried
153 L A 0.0000 Buried
154 V A 0.0000 Buried
155 K A 0.0000 Buried
156 D A -0.8961 Soluble
157 Y A 0.0000 Buried
158 F A 0.0000 Buried
159 P A -0.9578 Soluble
160 E A -1.5860 Soluble
161 P A -1.2448 Soluble
162 V A -0.6293 Soluble
163 T A -0.4014 Soluble
164 V A -0.2150 Soluble
165 S A -0.4230 Soluble
166 W A 0.0000 Buried
167 N A -0.8210 Soluble
168 S A -0.6905 Soluble
169 G A -0.5863 Soluble
170 A A -0.2375 Soluble
171 L A 0.0163 Aggregation-prone
172 T A -0.1185 Soluble
173 S A -0.1906 Soluble
174 G A -0.2998 Soluble
175 V A 0.1576 Aggregation-prone
176 H A -0.1745 Soluble
177 T A 0.0871 Aggregation-prone
178 F A 0.0000 Buried
179 P A -0.0054 Soluble
180 A A 0.3020 Aggregation-prone
181 V A 0.4328 Aggregation-prone
182 L A 0.8884 Aggregation-prone
183 Q A 0.0076 Aggregation-prone
184 S A -0.1820 Soluble
185 S A -0.3245 Soluble
186 G A -0.0980 Soluble
187 L A -0.1815 Soluble
188 Y A -0.0234 Soluble
189 S A 0.0000 Buried
190 L A 0.2753 Aggregation-prone
191 S A 0.0000 Buried
192 S A 0.0000 Buried
193 V A 0.0000 Buried
194 V A 0.0000 Buried
195 T A -0.1685 Soluble
196 V A 0.0000 Buried
197 P A -0.5842 Soluble
198 S A 0.0000 Buried
199 S A -0.8165 Soluble
200 S A -0.7398 Soluble
201 L A 0.0000 Buried
202 G A -1.1283 Soluble
203 T A -0.8274 Soluble
204 Q A -1.4313 Soluble
205 T A -1.2108 Soluble
206 Y A 0.0000 Buried
207 I A -1.3572 Soluble
208 C A 0.0000 Buried
209 N A -1.6787 Soluble
210 V A 0.0000 Buried
211 N A -1.7706 Soluble
212 H A 0.0000 Buried
213 K A -2.7737 Soluble
214 P A -1.7677 Soluble
215 S A -1.8492 Soluble
216 N A -2.4737 Soluble
217 T A -2.0287 Soluble
218 K A -2.6129 Soluble
219 V A -1.5341 Soluble
220 D A -2.7270 Soluble
221 K A -2.1716 Soluble
222 K A -2.7263 Soluble
223 V A 0.0000 Buried
224 E A -2.4721 Soluble
225 P A -1.2518 Soluble
1 D B -1.9857 Soluble
2 I B -1.3139 Soluble
3 Q B -1.7700 Soluble
4 M B 0.0000 Buried
5 T B -0.8792 Soluble
6 Q B 0.0000 Buried
7 S B -0.4650 Soluble
8 P B -0.5370 Soluble
9 S B -0.8756 Soluble
10 T B -0.7677 Soluble
11 L B -0.5203 Soluble
12 S B -0.8302 Soluble
13 A B 0.0000 Buried
14 S B -0.4952 Soluble
15 V B 0.4775 Aggregation-prone
16 G B -0.6368 Soluble
17 D B -1.5580 Soluble
18 R B -2.2167 Soluble
19 V B 0.0000 Buried
20 T B -0.5125 Soluble
21 I B 0.0000 Buried
22 T B -0.6047 Soluble
23 C B 0.0000 Buried
24 S B -1.0699 Soluble
25 A B 0.0000 Buried
26 S B -1.0623 Soluble
27 S B -0.8823 Soluble
28 S B -0.5838 Soluble
29 I B 0.0000 Buried
37 S B 0.0743 Aggregation-prone
38 Y B 0.8833 Aggregation-prone
39 M B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B -1.0065 Soluble
44 Q B -1.7584 Soluble
45 K B -2.1225 Soluble
46 P B -1.5815 Soluble
47 G B -1.8864 Soluble
48 K B -2.8204 Soluble
49 A B -1.7132 Soluble
50 P B 0.0000 Buried
51 K B -1.8559 Soluble
52 L B -0.5162 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.5240 Aggregation-prone
56 T B 0.3735 Aggregation-prone
57 T B 0.0000 Buried
65 S B -0.3861 Soluble
66 N B -0.7584 Soluble
67 L B 0.0237 Aggregation-prone
68 A B -0.2675 Soluble
69 S B -0.3442 Soluble
70 G B -0.3999 Soluble
71 V B -0.1213 Soluble
72 P B -0.1629 Soluble
74 A B -0.1336 Soluble
75 R B -0.4766 Soluble
76 F B 0.0000 Buried
77 S B -0.3890 Soluble
78 G B -0.4042 Soluble
79 S B -0.7083 Soluble
80 G B -0.9338 Soluble
83 S B -0.8448 Soluble
84 G B -0.8663 Soluble
85 T B -1.1779 Soluble
86 E B -2.1639 Soluble
87 F B 0.0000 Buried
88 T B -0.6961 Soluble
89 L B 0.0000 Buried
90 T B -0.6026 Soluble
91 I B 0.0000 Buried
92 S B -1.3189 Soluble
93 S B -1.0746 Soluble
94 L B 0.0000 Buried
95 Q B -0.9043 Soluble
96 P B -0.8991 Soluble
97 D B -1.8282 Soluble
98 D B 0.0000 Buried
99 F B -0.7568 Soluble
100 A B -1.1266 Soluble
101 T B 0.0000 Buried
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 -0.6653 Soluble
108 S B -0.3277 Soluble
109 T B -0.1960 Soluble
114 Y B 0.2627 Aggregation-prone
115 P B -0.4527 Soluble
116 L B 0.0000 Buried
117 T B -0.8068 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.5052 Soluble
121 G B -1.2038 Soluble
122 T B 0.0000 Buried
123 K B -1.7618 Soluble
124 V B 0.0000 Buried
125 E B -0.8696 Soluble
126 V B -0.4616 Soluble
127 K B -1.3230 Soluble
128 R B -1.0991 Soluble
129 T B 0.0955 Aggregation-prone
130 V B 1.1294 Aggregation-prone
131 A B 0.3849 Aggregation-prone
132 A B -0.0556 Soluble
133 P B -0.1860 Soluble
134 S B -0.2117 Soluble
135 V B 0.0000 Buried
136 F B 0.1650 Aggregation-prone
137 I B 0.2200 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5986 Soluble
140 P B -0.7745 Soluble
141 S B -1.6899 Soluble
142 D B -3.0640 Soluble
143 E B -3.2242 Soluble
144 Q B 0.0000 Buried
145 L B -2.2432 Soluble
146 K B -2.8401 Soluble
147 S B -1.7888 Soluble
148 G B -1.2430 Soluble
149 T B -0.6736 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 -0.5145 Soluble
158 N B -1.0040 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.3057 Soluble
162 R B -2.1092 Soluble
163 E B -2.8934 Soluble
164 A B -2.1126 Soluble
165 K B -2.4059 Soluble
166 V B -1.4218 Soluble
167 Q B -1.2614 Soluble
168 W B 0.0000 Buried
169 K B -1.1320 Soluble
170 V B 0.0000 Buried
171 D B -1.8542 Soluble
172 N B -1.5384 Soluble
173 A B -0.3963 Soluble
174 L B 0.6789 Aggregation-prone
175 Q B -0.1860 Soluble
176 S B -0.4825 Soluble
177 G B -0.9178 Soluble
178 N B -0.8378 Soluble
179 S B -1.2212 Soluble
180 Q B -1.4626 Soluble
181 E B -1.8198 Soluble
182 S B 0.0000 Buried
183 V B -0.1860 Soluble
184 T B -0.7721 Soluble
185 E B -2.0356 Soluble
186 Q B -1.9963 Soluble
187 D B -2.4328 Soluble
188 S B -1.9365 Soluble
189 K B -2.4590 Soluble
190 D B -2.0036 Soluble
191 S B -1.9613 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 -0.7117 Soluble
199 L B 0.0000 Buried
200 T B -0.2698 Soluble
201 L B -0.3158 Soluble
202 S B -0.9706 Soluble
203 K B -2.0189 Soluble
204 A B -1.8551 Soluble
205 D B -2.5877 Soluble
206 Y B 0.0000 Buried
207 E B -3.8457 Soluble
208 K B -3.7144 Soluble
209 H B -3.1907 Soluble
210 K B -3.4418 Soluble
211 V B -1.5369 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -1.7595 Soluble
216 V B 0.0000 Buried
217 T B -1.3668 Soluble
218 H B 0.0000 Buried
219 Q B -1.4474 Soluble
220 G B -0.3706 Soluble
221 L B -0.2249 Soluble
222 S B -0.4791 Soluble
223 S B -0.4186 Soluble
224 P B -0.5266 Soluble
225 V B -0.1628 Soluble
226 T B -0.7817 Soluble
227 K B -0.8972 Soluble
228 S B -0.9595 Soluble
229 F B -1.1191 Soluble
230 N B -2.4063 Soluble
231 R B -3.4119 Soluble
232 G B -2.7003 Soluble
233 E B -2.7465 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 -0.727 1.9825 CSV PDB
4.5 -0.7715 1.8745 CSV PDB
5.0 -0.8257 1.8155 CSV PDB
5.5 -0.878 1.7466 CSV PDB
6.0 -0.9154 1.6787 CSV PDB
6.5 -0.9281 1.6226 CSV PDB
7.0 -0.9147 1.5871 CSV PDB
7.5 -0.8831 1.5705 CSV PDB
8.0 -0.8414 1.5643 CSV PDB
8.5 -0.793 1.5622 CSV PDB
9.0 -0.7384 1.5615 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH