Sifalimumab / 4ypg

A4DAB239_4ypg_B_A | Source PDB: 4ypg | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6775
Max Score
1.4034
Min Score
-3.9696
Total Score
-294.02
Score CDR
-0.2702
Score non-CDR
-0.7234

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYSISWVRQAPGQGLEWMGWISVYNGNTNYAQKFQGRVTMTTDTSTSTAYLELRSLRSDDTAVYYCARDPIAAGYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQSVSSTYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.9696
Maximum Score 1.4034
Average Score -0.6775
Total Score -294.0175

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

Index Residue Chain A4D Score Classification
1 Q B -1.4256 Soluble
2 V B -0.8292 Soluble
3 Q B -0.9972 Soluble
4 L B 0.0000 Buried
5 V B -0.0096 Soluble
6 Q B 0.0000 Buried
7 S B -0.5905 Soluble
8 G B -0.3555 Soluble
9 A B 0.0101 Aggregation-prone
11 E B -0.2286 Soluble
12 V B 0.1333 Aggregation-prone
13 K B -1.2789 Soluble
14 K B -2.0874 Soluble
15 P B -2.1176 Soluble
16 G B -1.6433 Soluble
17 A B -1.3035 Soluble
18 S B -1.4515 Soluble
19 V B 0.0000 Buried
20 K B -2.0765 Soluble
21 V B 0.0000 Buried
22 S B -0.7328 Soluble
23 C B 0.0000 Buried
24 K B -1.3241 Soluble
25 A B 0.0000 Buried
26 S B -0.9189 Soluble
27 G B -0.9399 Soluble
28 Y B -0.2743 Soluble
29 T B -0.0420 Soluble
30 F B 0.0000 Buried
35 T B 0.2382 Aggregation-prone
36 S B 0.2658 Aggregation-prone
37 Y B 0.6762 Aggregation-prone
38 S B 0.0630 Aggregation-prone
39 I B 0.0000 Buried
40 S B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.5296 Soluble
45 A B -0.9159 Soluble
46 P B -0.9426 Soluble
47 G B -1.2489 Soluble
48 Q B -1.8769 Soluble
49 G B -1.3123 Soluble
50 L B 0.0000 Buried
51 E B -0.8199 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 W B -0.2912 Soluble
56 I B 0.0000 Buried
57 S B -0.5868 Soluble
58 V B 0.0000 Buried
59 Y B 0.3398 Aggregation-prone
62 N B -1.2891 Soluble
63 G B -1.3437 Soluble
64 N B -1.8136 Soluble
65 T B -1.1634 Soluble
66 N B -1.1359 Soluble
67 Y B -1.2347 Soluble
68 A B -1.6652 Soluble
69 Q B -2.5900 Soluble
70 K B -2.6863 Soluble
71 F B 0.0000 Buried
72 Q B -2.4553 Soluble
74 G B -1.6256 Soluble
75 R B -1.5504 Soluble
76 V B 0.0000 Buried
77 T B -0.8204 Soluble
78 M B 0.0000 Buried
79 T B -0.5969 Soluble
80 T B -0.5233 Soluble
81 D B -0.7427 Soluble
82 T B -0.3154 Soluble
83 S B -0.4802 Soluble
84 T B -0.6898 Soluble
85 S B -0.7756 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.6917 Soluble
89 L B 0.0000 Buried
90 E B -1.4794 Soluble
91 L B 0.0000 Buried
92 R B -1.5725 Soluble
93 S B -1.3609 Soluble
94 L B 0.0000 Buried
95 R B -2.9475 Soluble
96 S B -2.3270 Soluble
97 D B -2.4815 Soluble
98 D B 0.0000 Buried
99 T B -0.8403 Soluble
100 A B 0.0000 Buried
101 V B 0.3872 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 D B 0.0045 Aggregation-prone
108 P B 0.0316 Aggregation-prone
109 I B 0.3191 Aggregation-prone
114 A B 0.1084 Aggregation-prone
115 A B 0.1240 Aggregation-prone
116 G B -0.2284 Soluble
117 Y B 0.0437 Aggregation-prone
118 W B -0.1660 Soluble
119 G B 0.0000 Buried
120 Q B -0.9912 Soluble
121 G B -0.3764 Soluble
122 T B 0.0000 Buried
123 L B 0.7045 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.4966 Soluble
126 V B 0.0000 Buried
127 S B -1.3499 Soluble
128 S B -1.0740 Soluble
129 A B -0.6094 Soluble
130 S B -0.7250 Soluble
131 T B -0.8133 Soluble
132 K B -1.3788 Soluble
133 G B -1.4578 Soluble
134 P B 0.0000 Buried
135 S B -0.3744 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.9137 Soluble
139 L B 0.0000 Buried
140 A B -1.1833 Soluble
141 P B 0.0000 Buried
142 S B 0.0000 Buried
143 S B -0.6962 Soluble
144 K B -0.7534 Soluble
145 S B 0.0000 Buried
146 T B -0.6037 Soluble
147 S B -0.7306 Soluble
148 G B -0.8770 Soluble
149 G B -0.9128 Soluble
150 T B -0.6387 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.3926 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.9174 Soluble
164 P B -1.0866 Soluble
165 V B -0.8741 Soluble
166 T B -0.7083 Soluble
167 V B -0.2759 Soluble
168 S B -0.1597 Soluble
169 W B 0.0000 Buried
170 N B -0.3614 Soluble
171 S B -0.3737 Soluble
172 G B -0.2675 Soluble
173 A B 0.0903 Aggregation-prone
174 L B 0.5952 Aggregation-prone
175 T B 0.1077 Aggregation-prone
176 S B -0.0994 Soluble
177 G B -0.0949 Soluble
178 V B 0.1071 Aggregation-prone
179 H B -0.2764 Soluble
180 T B -0.1006 Soluble
181 F B 0.0000 Buried
182 P B -0.3700 Soluble
183 A B 0.1510 Aggregation-prone
184 V B 0.6237 Aggregation-prone
185 L B 1.4034 Aggregation-prone
186 Q B 0.4557 Aggregation-prone
187 S B 0.0138 Aggregation-prone
188 S B -0.1399 Soluble
189 G B 0.0842 Aggregation-prone
190 L B 0.0191 Aggregation-prone
191 Y B 0.0000 Buried
192 S B 0.0000 Buried
193 L B 0.1790 Aggregation-prone
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1539 Soluble
199 V B 0.0000 Buried
200 P B -0.6127 Soluble
201 S B -0.6587 Soluble
202 S B -0.5594 Soluble
203 S B -0.5581 Soluble
204 L B -0.8450 Soluble
205 G B -0.8451 Soluble
206 T B -0.5809 Soluble
207 Q B -0.7279 Soluble
208 T B -0.8048 Soluble
209 Y B 0.0000 Buried
210 I B -0.6665 Soluble
211 C B 0.0000 Buried
212 N B 0.0000 Buried
213 V B 0.0000 Buried
214 N B -2.0393 Soluble
215 H B 0.0000 Buried
216 K B -2.8914 Soluble
217 P B -1.7830 Soluble
218 S B -1.9260 Soluble
219 N B -2.6381 Soluble
220 T B -2.1985 Soluble
221 K B -2.6155 Soluble
222 V B -1.1593 Soluble
223 D B -1.6869 Soluble
224 K B -1.4914 Soluble
225 K B -1.6896 Soluble
226 V B 0.0000 Buried
227 E B -2.5025 Soluble
228 P B -2.0254 Soluble
229 K B -2.1022 Soluble
230 S B -1.0796 Soluble
231 C B -0.5910 Soluble
1 E A -1.6385 Soluble
2 I A 0.0000 Buried
3 V A 0.5365 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.7832 Soluble
6 Q A 0.0000 Buried
7 S A -0.8842 Soluble
8 P A -0.4855 Soluble
9 G A -0.8181 Soluble
10 T A -0.3572 Soluble
11 L A -0.0742 Soluble
12 S A -0.4061 Soluble
13 L A -0.7828 Soluble
14 S A -1.3725 Soluble
15 P A -2.0787 Soluble
16 G A -2.4394 Soluble
17 E A -2.8351 Soluble
18 R A -3.1766 Soluble
19 A A 0.0000 Buried
20 T A -0.5456 Soluble
21 L A 0.0000 Buried
22 S A -0.9458 Soluble
23 C A 0.0000 Buried
24 R A -2.3950 Soluble
25 A A 0.0000 Buried
26 S A -1.1094 Soluble
27 Q A -1.8085 Soluble
28 S A -1.4557 Soluble
29 V A 0.0000 Buried
30 S A -0.2489 Soluble
36 S A -0.3246 Soluble
37 T A 0.1527 Aggregation-prone
38 Y A 0.6684 Aggregation-prone
39 L A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.2199 Soluble
46 P A -1.2324 Soluble
47 G A -1.2679 Soluble
48 Q A -1.8584 Soluble
49 A A -1.2627 Soluble
50 P A 0.0000 Buried
51 R A -1.6601 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.1868 Aggregation-prone
56 G A 0.0658 Aggregation-prone
57 A A 0.0000 Buried
65 S A -0.5731 Soluble
66 S A -0.6154 Soluble
67 R A -1.3773 Soluble
68 A A -0.7571 Soluble
69 T A -0.5619 Soluble
70 G A -0.8796 Soluble
71 I A 0.0000 Buried
72 P A -1.3716 Soluble
74 D A -2.4020 Soluble
75 R A -2.1274 Soluble
76 F A 0.0000 Buried
77 S A -0.9190 Soluble
78 G A -0.4923 Soluble
79 S A -0.6877 Soluble
80 G A -1.1180 Soluble
83 S A -1.1225 Soluble
84 G A -1.3168 Soluble
85 T A -1.9027 Soluble
86 D A -2.3182 Soluble
87 F A 0.0000 Buried
88 T A -0.7924 Soluble
89 L A 0.0000 Buried
90 T A -0.8284 Soluble
91 I A 0.0000 Buried
92 S A -2.3909 Soluble
93 R A -3.5509 Soluble
94 L A 0.0000 Buried
95 E A -2.7931 Soluble
96 P A -1.8960 Soluble
97 E A -2.3220 Soluble
98 D A 0.0000 Buried
99 F A -0.5214 Soluble
100 A A 0.0000 Buried
101 V A 0.0233 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 Y A 0.1444 Aggregation-prone
108 G A -0.1439 Soluble
109 S A -0.5744 Soluble
114 S A -0.8091 Soluble
115 P A -0.9699 Soluble
116 R A -0.3259 Soluble
117 T A -0.2188 Soluble
118 F A 0.0405 Aggregation-prone
119 G A 0.0000 Buried
120 Q A -1.3627 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -0.4550 Soluble
124 V A 0.0000 Buried
125 E A 0.0000 Buried
126 I A -0.5176 Soluble
127 K A -0.6791 Soluble
128 R A -0.5296 Soluble
129 T A 0.3045 Aggregation-prone
130 V A 0.9921 Aggregation-prone
131 A A 0.2773 Aggregation-prone
132 A A 0.0488 Aggregation-prone
133 P A 0.0000 Buried
134 S A -0.1895 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.3236 Soluble
140 P A -0.5212 Soluble
141 S A -1.2971 Soluble
142 D A -2.5843 Soluble
143 E A -2.1854 Soluble
144 Q A 0.0000 Buried
145 L A -1.9331 Soluble
146 K A -2.5511 Soluble
147 S A -1.5802 Soluble
148 G A -1.2250 Soluble
149 T A -1.0938 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.8119 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.4693 Soluble
162 R A -2.8451 Soluble
163 E A -3.1835 Soluble
164 A A -2.3305 Soluble
165 K A -2.3825 Soluble
166 V A -0.9600 Soluble
167 Q A -0.4974 Soluble
168 W A 0.0000 Buried
169 K A -0.6746 Soluble
170 V A 0.0000 Buried
171 D A -1.6776 Soluble
172 N A -1.5072 Soluble
173 A A -0.3513 Soluble
174 L A 0.4808 Aggregation-prone
175 Q A -0.2836 Soluble
176 S A -0.4808 Soluble
177 G A -0.8511 Soluble
178 N A -0.7434 Soluble
179 S A -0.9823 Soluble
180 Q A -1.1422 Soluble
181 E A -1.6610 Soluble
182 S A -0.9232 Soluble
183 V A -0.8677 Soluble
184 T A -1.2478 Soluble
185 E A -2.2629 Soluble
186 Q A -1.8468 Soluble
187 D A -1.9352 Soluble
188 S A -1.7289 Soluble
189 K A -2.2411 Soluble
190 D A -1.6711 Soluble
191 S A -1.5677 Soluble
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A 0.0000 Buried
199 L A 0.0000 Buried
200 T A -0.4238 Soluble
201 L A -0.8114 Soluble
202 S A -1.1862 Soluble
203 K A -2.1712 Soluble
204 A A -2.1128 Soluble
205 D A -3.1832 Soluble
206 Y A 0.0000 Buried
207 E A -3.9696 Soluble
208 K A -3.8698 Soluble
209 H A -3.3396 Soluble
210 K A -3.2887 Soluble
211 V A -1.4926 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.6992 Soluble
216 V A 0.0000 Buried
217 T A -1.1170 Soluble
218 H A 0.0000 Buried
219 Q A -1.6644 Soluble
220 G A -0.2278 Soluble
221 L A -0.1044 Soluble
222 S A -0.4047 Soluble
223 S A -0.4022 Soluble
224 P A -0.5840 Soluble
225 V A 0.0724 Aggregation-prone
226 T A -0.3705 Soluble
227 K A -0.7222 Soluble
228 S A -0.4590 Soluble
229 F A 0.0000 Buried
230 N A -1.6162 Soluble
231 R A -2.1183 Soluble
232 G A -1.8538 Soluble
233 E A -2.1222 Soluble
234 C A -1.0429 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 -0.7031 1.7039 CSV PDB
4.5 -0.744 1.6781 CSV PDB
5.0 -0.7914 1.6448 CSV PDB
5.5 -0.836 1.6081 CSV PDB
6.0 -0.8669 1.5719 CSV PDB
6.5 -0.8757 1.5401 CSV PDB
7.0 -0.8622 1.5155 CSV PDB
7.5 -0.8338 1.4975 CSV PDB
8.0 -0.7971 1.4837 CSV PDB
8.5 -0.7542 1.4734 CSV PDB
9.0 -0.7059 1.467 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH