Lirilumab / 8tui

A4DAB156_8tui_H_L | Source PDB: 8tui | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5958
Max Score
2.4483
Min Score
-3.2458
Total Score
-259.18
Score CDR
0.0143
Score non-CDR
-0.6751

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFSFYAISWVRQAPGQGLEWMGGFIPIFGAANYAQKFQGRVTITADESTSTAYMELSSLRSDDTAVYYCARIPSGSYYYDYDMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPVTLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWMYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.2458
Maximum Score 2.4483
Average Score -0.5958
Total Score -259.1814

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

Index Residue Chain A4D Score Classification
1 Q H -1.8269 Soluble
2 V H 0.0000 Buried
3 Q H -1.6925 Soluble
4 L H 0.0000 Buried
5 V H 0.1383 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6571 Soluble
8 G H -0.6358 Soluble
9 A H -0.3370 Soluble
11 E H -0.7220 Soluble
12 V H -0.1252 Soluble
13 K H -1.1914 Soluble
14 K H -1.7917 Soluble
15 P H -1.8392 Soluble
16 G H -1.4970 Soluble
17 S H -1.1373 Soluble
18 S H -1.3460 Soluble
19 V H 0.0000 Buried
20 K H -2.0537 Soluble
21 V H 0.0000 Buried
22 S H -0.5644 Soluble
23 C H 0.0000 Buried
24 K H -1.0915 Soluble
25 A H 0.0000 Buried
26 S H -1.1922 Soluble
27 G H -1.3204 Soluble
28 G H -1.1033 Soluble
29 T H -0.3510 Soluble
30 F H 0.0000 Buried
35 S H 0.9279 Aggregation-prone
36 F H 2.4483 Aggregation-prone
37 Y H 1.0450 Aggregation-prone
38 A H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.6577 Soluble
45 A H -1.0133 Soluble
46 P H -0.8458 Soluble
47 G H -1.2446 Soluble
48 Q H -1.8174 Soluble
49 G H -1.2308 Soluble
50 L H 0.0000 Buried
51 E H -0.9131 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 F H 0.5804 Aggregation-prone
57 I H 0.0000 Buried
58 P H 0.9253 Aggregation-prone
59 I H 2.0658 Aggregation-prone
62 F H 2.3455 Aggregation-prone
63 G H 0.7376 Aggregation-prone
64 A H 0.6263 Aggregation-prone
65 A H 0.2302 Aggregation-prone
66 N H -0.4358 Soluble
67 Y H -0.7779 Soluble
68 A H 0.0000 Buried
69 Q H -2.7951 Soluble
70 K H -2.7356 Soluble
71 F H 0.0000 Buried
72 Q H -2.4273 Soluble
74 G H -1.6307 Soluble
75 R H -1.2845 Soluble
76 V H 0.0000 Buried
77 T H -0.7262 Soluble
78 I H 0.0000 Buried
79 T H -0.2816 Soluble
80 A H -0.6692 Soluble
81 D H -1.4628 Soluble
82 E H -2.1433 Soluble
83 S H -1.2772 Soluble
84 T H -0.8357 Soluble
85 S H -1.0332 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4030 Soluble
89 M H 0.0000 Buried
90 E H -1.4982 Soluble
91 L H 0.0000 Buried
92 S H -1.1632 Soluble
93 S H -1.1685 Soluble
94 L H 0.0000 Buried
95 R H -2.8101 Soluble
96 S H -2.2066 Soluble
97 D H -2.4471 Soluble
98 D H 0.0000 Buried
99 T H -0.9839 Soluble
100 A H 0.0000 Buried
101 V H 0.0754 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 0.0000 Buried
107 I H 0.0000 Buried
108 P H 0.0000 Buried
109 S H 0.3617 Aggregation-prone
110 G H 0.0034 Aggregation-prone
111 S H 0.6297 Aggregation-prone
111A Y H 0.0000 Buried
112B Y H 1.4127 Aggregation-prone
112A Y H 1.0449 Aggregation-prone
112 D H -0.8977 Soluble
113 Y H -0.1212 Soluble
114 D H -1.2997 Soluble
115 M H -0.7070 Soluble
116 D H -0.5499 Soluble
117 V H -0.5829 Soluble
118 W H -0.3053 Soluble
119 G H 0.0000 Buried
120 Q H -1.1832 Soluble
121 G H -0.4270 Soluble
122 T H 0.0000 Buried
123 T H -0.3018 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.1354 Soluble
128 S H -0.9265 Soluble
129 A H -0.5238 Soluble
130 S H -0.5440 Soluble
131 T H -0.8731 Soluble
132 K H -1.3409 Soluble
133 G H -1.3173 Soluble
134 P H 0.0000 Buried
135 S H -0.5286 Soluble
136 V H 0.0000 Buried
137 F H -0.7146 Soluble
138 P H -0.5551 Soluble
139 L H 0.0000 Buried
140 A H -0.3589 Soluble
141 P H 0.0000 Buried
142 S H -0.7529 Soluble
143 S H -0.5924 Soluble
144 K H -0.8737 Soluble
145 S H 0.0000 Buried
146 T H -0.6847 Soluble
147 S H -0.8314 Soluble
148 G H -0.8717 Soluble
149 G H -0.9109 Soluble
150 T H -0.6450 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4860 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -1.3945 Soluble
164 P H -1.2470 Soluble
165 V H -0.7763 Soluble
166 T H -0.5784 Soluble
167 V H -0.0537 Soluble
168 S H -0.0748 Soluble
169 W H 0.0000 Buried
170 N H -0.2986 Soluble
171 S H -0.2435 Soluble
172 G H -0.5610 Soluble
173 A H -0.2498 Soluble
174 L H 0.0056 Aggregation-prone
175 T H -0.1729 Soluble
176 S H -0.1560 Soluble
177 G H -0.1494 Soluble
178 V H 0.1552 Aggregation-prone
179 H H -0.3318 Soluble
180 T H -0.0261 Soluble
181 F H 0.0000 Buried
182 P H -0.5775 Soluble
183 A H -0.1418 Soluble
184 V H 0.1328 Aggregation-prone
185 L H 0.9223 Aggregation-prone
186 Q H -0.0354 Soluble
187 S H -0.1475 Soluble
188 S H -0.2553 Soluble
189 G H -0.0742 Soluble
190 L H -0.1095 Soluble
191 Y H 0.0000 Buried
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1117 Soluble
199 V H 0.0000 Buried
200 P H -0.6603 Soluble
201 S H -0.6540 Soluble
202 S H -0.6368 Soluble
203 S H -0.6985 Soluble
204 L H -0.6399 Soluble
205 G H -0.8577 Soluble
206 T H -0.7978 Soluble
207 Q H -0.9826 Soluble
208 T H -0.7261 Soluble
209 Y H 0.0000 Buried
210 I H 0.0536 Aggregation-prone
211 C H 0.0000 Buried
212 N H -0.1570 Soluble
213 V H 0.0000 Buried
214 N H -1.3826 Soluble
215 H H -1.9420 Soluble
216 K H -2.4628 Soluble
217 P H -1.5389 Soluble
218 S H -1.2975 Soluble
219 N H -1.4434 Soluble
220 T H -0.8681 Soluble
221 K H -0.1135 Soluble
222 V H 0.8206 Aggregation-prone
223 D H -0.1497 Soluble
224 K H -1.0466 Soluble
225 K H 0.0000 Buried
226 V H 0.0844 Aggregation-prone
227 E H -1.0081 Soluble
228 P H -0.5647 Soluble
1 E L -1.5632 Soluble
2 I L -0.0682 Soluble
3 V L 0.8617 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.2877 Soluble
6 Q L 0.0000 Buried
7 S L -0.0248 Soluble
8 P L 0.6903 Aggregation-prone
9 V L 1.4858 Aggregation-prone
10 T L 0.7834 Aggregation-prone
11 L L 0.3771 Aggregation-prone
12 S L -0.3004 Soluble
13 L L -0.9351 Soluble
14 S L -1.4161 Soluble
15 P L -1.8099 Soluble
16 G L -1.8694 Soluble
17 E L -2.4368 Soluble
18 R L -2.5892 Soluble
19 A L 0.0000 Buried
20 T L -0.6225 Soluble
21 L L 0.0000 Buried
22 S L -0.7645 Soluble
23 C L 0.0000 Buried
24 R L -2.4558 Soluble
25 A L 0.0000 Buried
26 S L -1.0065 Soluble
27 Q L -1.7071 Soluble
28 S L -1.3534 Soluble
29 V L 0.0000 Buried
36 S L -0.7006 Soluble
37 S L -0.5700 Soluble
38 Y L 0.0220 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.9784 Soluble
44 Q L 0.0000 Buried
45 K L -2.3386 Soluble
46 P L -1.5927 Soluble
47 G L -1.4606 Soluble
48 Q L -2.2286 Soluble
49 A L -1.5223 Soluble
50 P L 0.0000 Buried
51 R L -1.7548 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.6185 Soluble
56 D L -0.5712 Soluble
57 A L 0.0000 Buried
65 S L -1.2211 Soluble
66 N L -1.8718 Soluble
67 R L -1.7102 Soluble
68 A L 0.0000 Buried
69 T L -0.7203 Soluble
70 G L -0.5627 Soluble
71 I L -0.4882 Soluble
72 P L -0.3177 Soluble
74 A L -0.3054 Soluble
75 R L -0.7481 Soluble
76 F L 0.0000 Buried
77 S L -0.7084 Soluble
78 G L -0.8354 Soluble
79 S L -0.9266 Soluble
80 G L -1.2941 Soluble
83 S L -0.9940 Soluble
84 G L -1.3495 Soluble
85 T L -2.0739 Soluble
86 D L -2.8347 Soluble
87 F L 0.0000 Buried
88 T L -0.8858 Soluble
89 L L 0.0000 Buried
90 T L -0.5930 Soluble
91 I L 0.0000 Buried
92 S L -1.5792 Soluble
93 S L -1.7366 Soluble
94 L L 0.0000 Buried
95 E L -2.2337 Soluble
96 P L -1.7659 Soluble
97 E L -2.5080 Soluble
98 D L 0.0000 Buried
99 F L -0.8187 Soluble
100 A L 0.0000 Buried
101 V L -0.0190 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 R L 0.0000 Buried
108 S L -0.3825 Soluble
109 N L -1.0263 Soluble
114 W L -0.1668 Soluble
115 M L -0.2636 Soluble
116 Y L 0.0000 Buried
117 T L 0.2061 Aggregation-prone
118 F L 0.1443 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -0.8809 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L 0.2474 Aggregation-prone
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.7906 Soluble
127 K L -1.5416 Soluble
128 R L -1.0748 Soluble
129 T L -0.1040 Soluble
130 V L 0.5248 Aggregation-prone
131 A L 0.0096 Aggregation-prone
132 A L -0.2524 Soluble
133 P L 0.0000 Buried
134 S L -0.2918 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6669 Soluble
140 P L -0.7433 Soluble
141 S L -1.6669 Soluble
142 D L -3.0687 Soluble
143 E L -3.2458 Soluble
144 Q L 0.0000 Buried
145 L L -2.2085 Soluble
146 K L -2.9530 Soluble
147 S L -1.8993 Soluble
148 G L -1.5339 Soluble
149 T L -1.2967 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 -0.8875 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4878 Soluble
162 R L -2.4861 Soluble
163 E L -2.9610 Soluble
164 A L -2.2160 Soluble
165 K L -2.2612 Soluble
166 V L -1.1132 Soluble
167 Q L -0.6688 Soluble
168 W L 0.0000 Buried
169 K L -0.6630 Soluble
170 V L 0.0000 Buried
171 D L -1.3087 Soluble
172 N L -1.2598 Soluble
173 A L -0.4107 Soluble
174 L L 0.2712 Aggregation-prone
175 Q L -0.3962 Soluble
176 S L -0.5057 Soluble
177 G L -0.9744 Soluble
178 N L -0.9533 Soluble
179 S L -1.3430 Soluble
180 Q L -1.7695 Soluble
181 E L -2.0113 Soluble
182 S L -0.8748 Soluble
183 V L -0.7092 Soluble
184 T L -1.1878 Soluble
185 E L -2.2993 Soluble
186 Q L -2.0018 Soluble
187 D L -2.3411 Soluble
188 S L -2.0784 Soluble
189 K L -2.3514 Soluble
190 D L -1.7635 Soluble
191 S L -1.8640 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 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.8233 Soluble
199 L L 0.0000 Buried
200 T L -0.3615 Soluble
201 L L -0.5735 Soluble
202 S L -1.0204 Soluble
203 K L -2.0317 Soluble
204 A L -1.6888 Soluble
205 D L -2.3730 Soluble
206 Y L 0.0000 Buried
207 E L -2.7991 Soluble
208 K L -3.1432 Soluble
209 H L -2.5576 Soluble
210 K L -2.6107 Soluble
211 V L -1.2164 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6246 Soluble
216 V L 0.0000 Buried
217 T L -1.1685 Soluble
218 H L 0.0000 Buried
219 Q L -1.4944 Soluble
220 G L -0.3887 Soluble
221 L L -0.2183 Soluble
222 S L -0.4486 Soluble
223 S L -0.4072 Soluble
224 P L -0.4698 Soluble
225 V L 0.1108 Aggregation-prone
226 T L -0.3199 Soluble
227 K L -0.5705 Soluble
228 S L -0.6628 Soluble
229 F L 0.0000 Buried
230 N L -1.9664 Soluble
231 R L -1.8937 Soluble
232 G L -1.3676 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 -0.5469 5.5214 CSV PDB
4.5 -0.5862 5.5214 CSV PDB
5.0 -0.6338 5.5214 CSV PDB
5.5 -0.6799 5.5214 CSV PDB
6.0 -0.714 5.5214 CSV PDB
6.5 -0.7277 5.5214 CSV PDB
7.0 -0.7201 5.5214 CSV PDB
7.5 -0.6979 5.5214 CSV PDB
8.0 -0.6678 5.5214 CSV PDB
8.5 -0.6326 5.5214 CSV PDB
9.0 -0.5922 5.5214 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH