Cemiplimab / 8gy5

A4DAB061_8gy5_H_L | Source PDB: 8gy5 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.645
Max Score
1.8314
Min Score
-3.6453
Total Score
-272.84
Score CDR
-0.5211
Score non-CDR
-0.6594

Calculation Parameters

Chain Sequence(s) EVQLLESGGVLVQPGGSLRLSCAASGFTFSNFGMTWVRQAPGKGLEWVSGISGGGRDTYFADSVKGRFTISRDNSKNTLYLQMNSLKGEDTAVYYCVKWGNIYFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDSITITCRASLSINTFLNWYQQKPGKAPNLLIYAASSLHGGVPSRFSGSGSGTDFTLTIRTLQPEDFATYYCQQSSNTPFTFGPGTVVDFRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.6453
Maximum Score 1.8314
Average Score -0.645
Total Score -272.8393

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

Index Residue Chain A4D Score Classification
1 E H -2.0965 Soluble
2 V H -1.1476 Soluble
3 Q H -1.2339 Soluble
4 L H 0.0000 Buried
5 L H 0.8735 Aggregation-prone
6 E H 0.3271 Aggregation-prone
7 S H 0.0346 Aggregation-prone
8 G H -0.1911 Soluble
9 G H 0.8006 Aggregation-prone
11 V H 1.8314 Aggregation-prone
12 L H 1.2041 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.4456 Soluble
15 P H -1.7146 Soluble
16 G H -1.3923 Soluble
17 G H 0.0000 Buried
18 S H -1.1446 Soluble
19 L H -0.9688 Soluble
20 R H -2.2013 Soluble
21 L H 0.0000 Buried
22 S H -0.4959 Soluble
23 C H 0.0000 Buried
24 A H -0.2289 Soluble
25 A H 0.0000 Buried
26 S H -1.0692 Soluble
27 G H -1.2546 Soluble
28 F H -0.6327 Soluble
29 T H -0.5280 Soluble
30 F H 0.0000 Buried
35 S H -1.3829 Soluble
36 N H -1.3977 Soluble
37 F H -0.7203 Soluble
38 G H -0.6999 Soluble
39 M H 0.0000 Buried
40 T 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 -0.6747 Soluble
45 A H -1.0496 Soluble
46 P H -0.8725 Soluble
47 G H -1.4643 Soluble
48 K H -2.2383 Soluble
49 G H -1.3946 Soluble
50 L H 0.0000 Buried
51 E H -1.0024 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 S H -1.0808 Soluble
58 G H -1.2819 Soluble
59 G H -1.6495 Soluble
62 G H -1.7131 Soluble
63 R H -2.3810 Soluble
64 D H -1.5076 Soluble
65 T H -0.4588 Soluble
66 Y H 0.1869 Aggregation-prone
67 F H -0.3280 Soluble
68 A H 0.0000 Buried
69 D H -2.5966 Soluble
70 S H -1.7833 Soluble
71 V H 0.0000 Buried
72 K H -2.5057 Soluble
74 G H -1.7066 Soluble
75 R H -1.5851 Soluble
76 F H 0.0000 Buried
77 T H -0.8390 Soluble
78 I H 0.0000 Buried
79 S H -0.7922 Soluble
80 R H -1.1132 Soluble
81 D H -1.6419 Soluble
82 N H -1.9853 Soluble
83 S H -1.6761 Soluble
84 K H -2.4843 Soluble
85 N H -1.9741 Soluble
86 T H -1.1118 Soluble
87 L H 0.0000 Buried
88 Y H -0.6961 Soluble
89 L H 0.0000 Buried
90 Q H -1.5614 Soluble
91 M H 0.0000 Buried
92 N H -1.3178 Soluble
93 S H -1.1365 Soluble
94 L H 0.0000 Buried
95 K H -2.3306 Soluble
96 G H -2.0772 Soluble
97 E H -2.3893 Soluble
98 D H 0.0000 Buried
99 T H -0.6320 Soluble
100 A H 0.0000 Buried
101 V H 0.5984 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 V H 0.0000 Buried
106 K H 0.0000 Buried
107 W H -0.1288 Soluble
108 G H -0.9626 Soluble
109 N H -1.0354 Soluble
113 I H 0.2101 Aggregation-prone
114 Y H 0.2651 Aggregation-prone
115 F H 0.0000 Buried
116 D H 0.0159 Aggregation-prone
117 Y H 0.4073 Aggregation-prone
118 W H -0.0790 Soluble
119 G H 0.0000 Buried
120 Q H -1.2361 Soluble
121 G H 0.0000 Buried
122 T H 0.6757 Aggregation-prone
123 L H 1.5374 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.2168 Aggregation-prone
126 V H 0.0000 Buried
127 S H -1.0223 Soluble
128 S H -0.7583 Soluble
129 A H -0.5270 Soluble
130 S H -0.6449 Soluble
131 T H -0.8998 Soluble
132 K H -1.4874 Soluble
133 G H -1.6272 Soluble
134 P H 0.0000 Buried
135 S H -0.5778 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9181 Soluble
139 L H 0.0000 Buried
140 A H -0.6779 Soluble
141 P H 0.0000 Buried
142 S H -0.3905 Soluble
143 G H -0.6547 Soluble
144 T H -0.4765 Soluble
145 A H -0.2379 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4485 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.7301 Soluble
157 E H -1.1488 Soluble
158 P H -1.1503 Soluble
159 V H -1.0711 Soluble
160 T H -0.9292 Soluble
161 V H -0.3617 Soluble
162 S H -0.4860 Soluble
163 W H 0.0000 Buried
164 N H -0.5980 Soluble
165 S H -0.6192 Soluble
166 G H -0.6039 Soluble
167 A H -0.2658 Soluble
168 L H -0.0758 Soluble
169 T H -0.2241 Soluble
170 S H -0.2703 Soluble
171 G H -0.2874 Soluble
172 V H 0.1195 Aggregation-prone
173 H H -0.3159 Soluble
174 T H 0.0014 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3713 Soluble
177 A H 0.0873 Aggregation-prone
178 V H 0.4020 Aggregation-prone
179 L H 1.0270 Aggregation-prone
180 Q H 0.2277 Aggregation-prone
181 S H -0.2615 Soluble
182 S H -0.1947 Soluble
183 G H 0.0354 Aggregation-prone
184 L H 0.0066 Aggregation-prone
185 Y H 0.2510 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1451 Soluble
193 V H 0.0000 Buried
194 P H -0.5790 Soluble
195 S H -0.5665 Soluble
196 S H -0.6062 Soluble
197 S H -0.6193 Soluble
198 L H -0.8365 Soluble
199 G H -1.0037 Soluble
200 T H -0.6752 Soluble
201 Q H -1.1292 Soluble
202 T H -0.8591 Soluble
203 Y H 0.0000 Buried
204 I H -0.5712 Soluble
205 C H 0.0000 Buried
206 N H -1.3383 Soluble
207 V H 0.0000 Buried
208 N H -2.6695 Soluble
209 H H 0.0000 Buried
210 K H -3.0266 Soluble
211 P H -1.8450 Soluble
212 S H -2.0449 Soluble
213 N H -2.7841 Soluble
214 T H -2.3212 Soluble
215 K H -2.8466 Soluble
216 V H -1.3294 Soluble
217 D H -1.7848 Soluble
218 K H -1.1444 Soluble
219 K H -1.2920 Soluble
220 V H 0.0000 Buried
221 E H -2.2022 Soluble
222 P H -1.2278 Soluble
1 D L -2.3487 Soluble
2 I L 0.0000 Buried
3 Q L -1.7964 Soluble
4 M L 0.0000 Buried
5 T L -1.1529 Soluble
6 Q L 0.0000 Buried
7 S L -0.5201 Soluble
8 P L -0.2171 Soluble
9 S L -0.2288 Soluble
10 S L 0.0160 Aggregation-prone
11 L L 0.0193 Aggregation-prone
12 S L -0.6208 Soluble
13 A L 0.0000 Buried
14 S L -0.3422 Soluble
15 V L 0.5092 Aggregation-prone
16 G L -0.4841 Soluble
17 D L -0.8419 Soluble
18 S L -0.9132 Soluble
19 I L 0.0000 Buried
20 T L -0.2717 Soluble
21 I L 0.0000 Buried
22 T L -0.7382 Soluble
23 C L 0.0000 Buried
24 R L -2.1439 Soluble
25 A L 0.0000 Buried
26 S L -0.6793 Soluble
27 L L 0.4206 Aggregation-prone
28 S L -0.1561 Soluble
29 I L 0.0000 Buried
36 N L -1.1027 Soluble
37 T L -0.3992 Soluble
38 F L 0.6451 Aggregation-prone
39 L L 0.0000 Buried
40 N 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 -0.9757 Soluble
45 K L -1.6471 Soluble
46 P L -1.4726 Soluble
47 G L -1.6958 Soluble
48 K L -2.5279 Soluble
49 A L -1.4938 Soluble
50 P L 0.0000 Buried
51 N L -0.7146 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5253 Aggregation-prone
56 A L 0.4051 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.2180 Soluble
66 S L 0.0883 Aggregation-prone
67 L L 0.2548 Aggregation-prone
68 H L -0.2327 Soluble
69 G L -0.6017 Soluble
70 G L -0.5879 Soluble
71 V L -0.2794 Soluble
72 P L -0.3382 Soluble
74 S L -0.4972 Soluble
75 R L -0.9046 Soluble
76 F L 0.0000 Buried
77 S L -0.3956 Soluble
78 G L -0.2299 Soluble
79 S L -0.5980 Soluble
80 G L -1.0781 Soluble
83 S L -0.9610 Soluble
84 G L -0.9494 Soluble
85 T L -1.0979 Soluble
86 D L -1.7556 Soluble
87 F L 0.0000 Buried
88 T L -0.6666 Soluble
89 L L 0.0000 Buried
90 T L -0.4482 Soluble
91 I L 0.0000 Buried
92 R L -1.3883 Soluble
93 T L -0.8906 Soluble
94 L L 0.0000 Buried
95 Q L -1.0748 Soluble
96 P L -0.9011 Soluble
97 E L -2.0847 Soluble
98 D L 0.0000 Buried
99 F L -0.2729 Soluble
100 A L 0.0000 Buried
101 T L -0.0243 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 S L -0.0875 Soluble
108 S L -0.2958 Soluble
109 N L -1.3876 Soluble
114 T L -0.8135 Soluble
115 P L -1.0383 Soluble
116 F L 0.0000 Buried
117 T L -0.9839 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 P L -0.7911 Soluble
121 G L -0.4188 Soluble
122 T L 0.0000 Buried
123 V L 0.4569 Aggregation-prone
124 V L 0.0000 Buried
125 D L 0.0000 Buried
126 F L -0.4467 Soluble
127 R L -1.5520 Soluble
128 R L -1.2380 Soluble
129 T L -0.1363 Soluble
130 V L 0.6575 Aggregation-prone
131 A L 0.2622 Aggregation-prone
132 A L -0.0226 Soluble
133 P L 0.0000 Buried
134 S L -0.0991 Soluble
135 V L 0.0897 Aggregation-prone
136 F L 0.2683 Aggregation-prone
137 I L 0.1967 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5832 Soluble
140 P L -0.8305 Soluble
141 S L -1.6122 Soluble
142 D L -2.9257 Soluble
143 E L -2.9598 Soluble
144 Q L 0.0000 Buried
145 L L -2.2928 Soluble
146 K L -2.8164 Soluble
147 S L -1.7159 Soluble
148 G L -1.2984 Soluble
149 T L -0.8854 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 -0.8115 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.0900 Soluble
162 R L -1.7667 Soluble
163 E L -2.6282 Soluble
164 A L -2.0249 Soluble
165 K L -2.4190 Soluble
166 V L -1.2247 Soluble
167 Q L -0.9273 Soluble
168 W L 0.0000 Buried
169 K L -0.8795 Soluble
170 V L 0.0000 Buried
171 D L -1.9610 Soluble
172 N L -1.5394 Soluble
173 A L -0.5090 Soluble
174 L L 0.2333 Aggregation-prone
175 Q L -0.5906 Soluble
176 S L -0.8262 Soluble
177 G L -1.3569 Soluble
178 N L -1.8121 Soluble
179 S L -1.6578 Soluble
180 Q L -1.6537 Soluble
181 E L -2.1040 Soluble
182 S L -0.9481 Soluble
183 V L -0.5099 Soluble
184 T L -0.9734 Soluble
185 E L -2.0703 Soluble
186 Q L -1.6397 Soluble
187 D L -1.8917 Soluble
188 S L -1.6816 Soluble
189 K L -2.2827 Soluble
190 D L -1.8029 Soluble
191 S L -1.7724 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 -0.7995 Soluble
199 L L 0.0000 Buried
200 T L -0.8031 Soluble
201 L L 0.0000 Buried
202 S L -1.3288 Soluble
203 K L -2.1615 Soluble
204 A L -1.9027 Soluble
205 D L -2.5290 Soluble
206 Y L 0.0000 Buried
207 E L -3.6453 Soluble
208 K L -3.5434 Soluble
209 H L -2.9400 Soluble
210 K L -2.8811 Soluble
211 V L -1.4231 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9806 Soluble
216 V L 0.0000 Buried
217 T L -1.2268 Soluble
218 H L 0.0000 Buried
219 Q L -1.4320 Soluble
220 G L -0.3527 Soluble
221 L L -0.2042 Soluble
222 S L -0.4484 Soluble
223 S L -0.4478 Soluble
224 P L -0.5826 Soluble
225 V L -0.0424 Soluble
226 T L -0.4896 Soluble
227 K L -0.6056 Soluble
228 S L -0.5996 Soluble
229 F L -0.7919 Soluble
230 N L -1.8796 Soluble
231 R L -2.1090 Soluble
232 G L -1.3487 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
Load structure at specific pH condition
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 -0.5802 2.0359 CSV PDB
4.5 -0.6189 2.0335 CSV PDB
5.0 -0.6638 2.0296 CSV PDB
5.5 -0.7065 2.0247 CSV PDB
6.0 -0.7372 2.0196 CSV PDB
6.5 -0.7484 2.015 CSV PDB
7.0 -0.74 2.0119 CSV PDB
7.5 -0.7182 2.0103 CSV PDB
8.0 -0.689 2.0096 CSV PDB
8.5 -0.6541 2.0094 CSV PDB
9.0 -0.6135 2.0093 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH