Cemiplimab / 8gy5

A4DAB061_8gy5_A_B | Source PDB: 8gy5 | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6524
Max Score
1.7181
Min Score
-3.6352
Total Score
-276.63
Score CDR
-0.5635
Score non-CDR
-0.6627

Calculation Parameters

Chain Sequence(s) EVQLLESGGVLVQPGGSLRLSCAASGFTFSNFGMTWVRQAPGKGLEWVSGISGGGRDTYFADSVKGRFTISRDNSKNTLYLQMNSLKGEDTAVYYCVKWGNIYFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDSITITCRASLSINTFLNWYQQKPGKAPNLLIYAASSLHGGVPSRFSGSGSGTDFTLTIRTLQPEDFATYYCQQSSNTPFTFGPGTVVDFRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.6352
Maximum Score 1.7181
Average Score -0.6524
Total Score -276.6326

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

Index Residue Chain A4D Score Classification
1 E A -1.9184 Soluble
2 V A -0.9096 Soluble
3 Q A -0.8739 Soluble
4 L A 0.0000 Buried
5 L A 0.9021 Aggregation-prone
6 E A 0.0936 Aggregation-prone
7 S A -0.0739 Soluble
8 G A -0.2948 Soluble
9 G A 0.5835 Aggregation-prone
11 V A 1.7181 Aggregation-prone
12 L A 0.8703 Aggregation-prone
13 V A 0.0000 Buried
14 Q A -1.5155 Soluble
15 P A -1.7928 Soluble
16 G A -1.4601 Soluble
17 G A -1.1390 Soluble
18 S A -1.1938 Soluble
19 L A -0.9725 Soluble
20 R A -2.0947 Soluble
21 L A 0.0000 Buried
22 S A -0.4595 Soluble
23 C A 0.0000 Buried
24 A A -0.1125 Soluble
25 A A 0.0000 Buried
26 S A -0.6492 Soluble
27 G A -0.9602 Soluble
28 F A -0.4992 Soluble
29 T A -0.4739 Soluble
30 F A 0.0000 Buried
35 S A -1.2515 Soluble
36 N A -1.3845 Soluble
37 F A -0.6766 Soluble
38 G A -0.7324 Soluble
39 M A 0.0000 Buried
40 T A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7784 Soluble
45 A A -1.1420 Soluble
46 P A -0.8914 Soluble
47 G A -1.5177 Soluble
48 K A -2.2489 Soluble
49 G A -1.4206 Soluble
50 L A 0.0000 Buried
51 E A -1.0409 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 S A 0.0000 Buried
55 G A 0.0000 Buried
56 I A 0.0000 Buried
57 S A -1.2530 Soluble
58 G A -1.3239 Soluble
59 G A -1.7486 Soluble
62 G A -1.9179 Soluble
63 R A -2.6818 Soluble
64 D A -2.1452 Soluble
65 T A -0.7460 Soluble
66 Y A 0.0387 Aggregation-prone
67 F A -0.4387 Soluble
68 A A 0.0000 Buried
69 D A -2.5954 Soluble
70 S A -1.8110 Soluble
71 V A 0.0000 Buried
72 K A -2.4953 Soluble
74 G A -1.7390 Soluble
75 R A -1.6171 Soluble
76 F A 0.0000 Buried
77 T A -0.7605 Soluble
78 I A 0.0000 Buried
79 S A -0.8244 Soluble
80 R A -1.1794 Soluble
81 D A -1.8356 Soluble
82 N A -2.1680 Soluble
83 S A -1.7514 Soluble
84 K A -2.4588 Soluble
85 N A -1.8712 Soluble
86 T A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.6442 Soluble
89 L A 0.0000 Buried
90 Q A -1.2431 Soluble
91 M A 0.0000 Buried
92 N A -1.3849 Soluble
93 S A -1.2038 Soluble
94 L A 0.0000 Buried
95 K A -2.3152 Soluble
96 G A -2.0499 Soluble
97 E A -2.3579 Soluble
98 D A 0.0000 Buried
99 T A -0.5844 Soluble
100 A A 0.0000 Buried
101 V A 0.2750 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 V A 0.0000 Buried
106 K A 0.0000 Buried
107 W A -0.1019 Soluble
108 G A -0.8631 Soluble
109 N A -0.9599 Soluble
113 I A 0.2435 Aggregation-prone
114 Y A 0.3022 Aggregation-prone
115 F A 0.0000 Buried
116 D A 0.0000 Buried
117 Y A 0.2483 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.1496 Soluble
121 G A -0.4065 Soluble
122 T A 0.3153 Aggregation-prone
123 L A 0.8687 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.0868 Soluble
128 S A -0.7853 Soluble
129 A A -0.5830 Soluble
130 S A -0.7866 Soluble
131 T A -0.9464 Soluble
132 K A -1.9545 Soluble
133 G A -1.7828 Soluble
134 P A 0.0000 Buried
135 S A -0.3575 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2294 Soluble
139 L A 0.0000 Buried
140 A A -1.2710 Soluble
141 P A 0.0000 Buried
142 S A -0.8352 Soluble
143 G A -0.6402 Soluble
144 T A -0.4705 Soluble
145 A A -0.2334 Soluble
146 A A 0.0000 Buried
147 L A 0.0000 Buried
148 G A 0.0000 Buried
149 C A 0.0000 Buried
150 L A 0.0000 Buried
151 V A 0.0000 Buried
152 K A 0.0000 Buried
153 D A -0.5623 Soluble
154 Y A 0.0000 Buried
155 F A 0.0000 Buried
156 P A 0.0000 Buried
157 E A -0.2551 Soluble
158 P A -0.7875 Soluble
159 V A -0.8214 Soluble
160 T A -0.7176 Soluble
161 V A -0.3290 Soluble
162 S A -0.4757 Soluble
163 W A 0.0000 Buried
164 N A -0.7522 Soluble
165 S A -0.6726 Soluble
166 G A -0.5153 Soluble
167 A A -0.2623 Soluble
168 L A -0.0377 Soluble
169 T A -0.2027 Soluble
170 S A -0.3855 Soluble
171 G A -0.3096 Soluble
172 V A 0.1213 Aggregation-prone
173 H A -0.3066 Soluble
174 T A 0.0304 Aggregation-prone
175 F A 0.0000 Buried
176 P A -0.3110 Soluble
177 A A 0.2185 Aggregation-prone
178 V A 0.5571 Aggregation-prone
179 L A 1.2889 Aggregation-prone
180 Q A 0.3288 Aggregation-prone
181 S A -0.0930 Soluble
182 S A -0.1604 Soluble
183 G A 0.1042 Aggregation-prone
184 L A 0.0627 Aggregation-prone
185 Y A 0.0000 Buried
186 S A 0.0000 Buried
187 L A 0.0000 Buried
188 S A 0.0000 Buried
189 S A 0.0000 Buried
190 V A 0.0000 Buried
191 V A 0.0000 Buried
192 T A -0.1263 Soluble
193 V A 0.0000 Buried
194 P A -0.4768 Soluble
195 S A -0.5275 Soluble
196 S A -0.6096 Soluble
197 S A -0.5947 Soluble
198 L A -0.8235 Soluble
199 G A -1.0044 Soluble
200 T A -0.7540 Soluble
201 Q A -1.2670 Soluble
202 T A -1.0609 Soluble
203 Y A 0.0000 Buried
204 I A -1.1383 Soluble
205 C A 0.0000 Buried
206 N A -1.6097 Soluble
207 V A 0.0000 Buried
208 N A -2.4175 Soluble
209 H A 0.0000 Buried
210 K A -2.8422 Soluble
211 P A -1.5548 Soluble
212 S A -2.0827 Soluble
213 N A -2.7491 Soluble
214 T A -2.3236 Soluble
215 K A -2.9142 Soluble
216 V A -1.7881 Soluble
217 D A -2.5984 Soluble
218 K A -2.1024 Soluble
219 K A -2.1737 Soluble
220 V A 0.0000 Buried
221 E A -2.8358 Soluble
222 P A -2.0300 Soluble
223 K A -2.5370 Soluble
1 D B -2.3738 Soluble
2 I B 0.0000 Buried
3 Q B -1.8162 Soluble
4 M B 0.0000 Buried
5 T B -1.2635 Soluble
6 Q B 0.0000 Buried
7 S B -0.6511 Soluble
8 P B -0.2593 Soluble
9 S B -0.2460 Soluble
10 S B 0.0584 Aggregation-prone
11 L B 0.0438 Aggregation-prone
12 S B -0.4562 Soluble
13 A B 0.0000 Buried
14 S B -0.5405 Soluble
15 V B -0.1204 Soluble
16 G B -0.7603 Soluble
17 D B -1.1430 Soluble
18 S B -1.1596 Soluble
19 I B 0.0000 Buried
20 T B -0.2972 Soluble
21 I B 0.0000 Buried
22 T B -0.8662 Soluble
23 C B 0.0000 Buried
24 R B -2.4267 Soluble
25 A B 0.0000 Buried
26 S B -0.7425 Soluble
27 L B 0.3701 Aggregation-prone
28 S B -0.2348 Soluble
29 I B 0.0000 Buried
36 N B -1.1725 Soluble
37 T B -0.4907 Soluble
38 F B 0.5005 Aggregation-prone
39 L B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B -0.4178 Soluble
44 Q B 0.0000 Buried
45 K B -1.1403 Soluble
46 P B -1.2415 Soluble
47 G B -1.1069 Soluble
48 K B -1.3313 Soluble
49 A B 0.0000 Buried
50 P B 0.0000 Buried
51 N B -0.7754 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.5697 Aggregation-prone
56 A B 0.3862 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.0935 Soluble
66 S B 0.0846 Aggregation-prone
67 L B 0.2360 Aggregation-prone
68 H B -0.2195 Soluble
69 G B -0.6047 Soluble
70 G B -0.6010 Soluble
71 V B -0.3117 Soluble
72 P B -0.3480 Soluble
74 S B -0.5428 Soluble
75 R B -0.8236 Soluble
76 F B 0.0000 Buried
77 S B -0.3107 Soluble
78 G B 0.0000 Buried
79 S B -0.6372 Soluble
80 G B -1.2079 Soluble
83 S B -1.0944 Soluble
84 G B -1.0526 Soluble
85 T B -1.2856 Soluble
86 D B -2.1107 Soluble
87 F B 0.0000 Buried
88 T B -0.7553 Soluble
89 L B 0.0000 Buried
90 T B -0.4749 Soluble
91 I B 0.0000 Buried
92 R B -1.5559 Soluble
93 T B -1.0838 Soluble
94 L B 0.0000 Buried
95 Q B -1.0936 Soluble
96 P B -0.9705 Soluble
97 E B -1.9278 Soluble
98 D B 0.0000 Buried
99 F B -0.1667 Soluble
100 A B 0.0000 Buried
101 T B -0.0188 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B -0.1348 Soluble
108 S B -0.3951 Soluble
109 N B -1.5071 Soluble
114 T B -1.0309 Soluble
115 P B -1.0828 Soluble
116 F B 0.0000 Buried
117 T B -0.9826 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 P B -0.7898 Soluble
121 G B -0.3997 Soluble
122 T B 0.0000 Buried
123 V B 0.4467 Aggregation-prone
124 V B 0.0000 Buried
125 D B 0.0000 Buried
126 F B -0.3700 Soluble
127 R B -1.4809 Soluble
128 R B -1.0181 Soluble
129 T B 0.0576 Aggregation-prone
130 V B 0.8394 Aggregation-prone
131 A B 0.3169 Aggregation-prone
132 A B -0.0007 Soluble
133 P B 0.0000 Buried
134 S B -0.1760 Soluble
135 V B 0.0000 Buried
136 F B 0.2005 Aggregation-prone
137 I B 0.1898 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4745 Soluble
140 P B 0.0000 Buried
141 S B -1.7127 Soluble
142 D B -2.9344 Soluble
143 E B -2.6035 Soluble
144 Q B 0.0000 Buried
145 L B -2.2024 Soluble
146 K B -2.7365 Soluble
147 S B -1.7043 Soluble
148 G B -1.2739 Soluble
149 T B -1.0643 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 0.0000 Buried
158 N B -0.7884 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.0830 Soluble
162 R B -1.8004 Soluble
163 E B -2.6445 Soluble
164 A B -2.0635 Soluble
165 K B -2.5835 Soluble
166 V B 0.0000 Buried
167 Q B -0.8456 Soluble
168 W B 0.0000 Buried
169 K B -0.5560 Soluble
170 V B 0.0000 Buried
171 D B -1.8189 Soluble
172 N B -1.4336 Soluble
173 A B -0.1873 Soluble
174 L B 0.7758 Aggregation-prone
175 Q B -0.1052 Soluble
176 S B -0.4554 Soluble
177 G B -0.8969 Soluble
178 N B -0.8719 Soluble
179 S B -1.1568 Soluble
180 Q B -1.3725 Soluble
181 E B -2.0579 Soluble
182 S B -0.6897 Soluble
183 V B -0.4002 Soluble
184 T B -0.9459 Soluble
185 E B -2.1070 Soluble
186 Q B -1.6490 Soluble
187 D B -1.9425 Soluble
188 S B -1.6853 Soluble
189 K B -2.2425 Soluble
190 D B -1.6841 Soluble
191 S B -1.6750 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 -0.6646 Soluble
199 L B 0.0000 Buried
200 T B -0.4837 Soluble
201 L B -0.7838 Soluble
202 S B -1.2158 Soluble
203 K B -2.1966 Soluble
204 A B -2.0482 Soluble
205 D B -2.8689 Soluble
206 Y B 0.0000 Buried
207 E B -3.5142 Soluble
208 K B -3.6352 Soluble
209 H B -2.9688 Soluble
210 K B -3.1204 Soluble
211 V B -1.5325 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -1.1514 Soluble
216 V B 0.0000 Buried
217 T B -1.3011 Soluble
218 H B 0.0000 Buried
219 Q B -1.5289 Soluble
220 G B -0.2523 Soluble
221 L B -0.1571 Soluble
222 S B -0.4544 Soluble
223 S B -0.4517 Soluble
224 P B -0.6632 Soluble
225 V B -0.2052 Soluble
226 T B -0.6310 Soluble
227 K B -0.7346 Soluble
228 S B -0.6643 Soluble
229 F B -0.8790 Soluble
230 N B -2.0139 Soluble
231 R B -2.2221 Soluble
232 G B -1.4272 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 -0.6062 1.7666 CSV PDB
4.5 -0.6464 1.7295 CSV PDB
5.0 -0.6919 1.6792 CSV PDB
5.5 -0.7345 1.6692 CSV PDB
6.0 -0.7651 1.6597 CSV PDB
6.5 -0.7764 1.6522 CSV PDB
7.0 -0.7684 1.6478 CSV PDB
7.5 -0.7475 1.6459 CSV PDB
8.0 -0.719 1.6452 CSV PDB
8.5 -0.6842 1.6449 CSV PDB
9.0 -0.6428 1.6942 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH