Nivolumab / 5ggr

A4DAB182_5ggr_H_L | Source PDB: 5ggr | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7582
Max Score
1.4312
Min Score
-3.7337
Total Score
-317.69
Score CDR
-0.7577
Score non-CDR
-0.7583

Calculation Parameters

Chain Sequence(s) VQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7337
Maximum Score 1.4312
Average Score -0.7582
Total Score -317.6931

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

Index Residue Chain A4D Score Classification
2 V H 1.2337 Aggregation-prone
3 Q H -0.3530 Soluble
4 L H 0.0000 Buried
5 V H -0.2312 Soluble
6 E H 0.0000 Buried
7 S H -0.8123 Soluble
8 G H -0.8652 Soluble
9 G H -0.1187 Soluble
11 G H 0.7617 Aggregation-prone
12 V H 1.4312 Aggregation-prone
13 V H 0.0636 Aggregation-prone
14 Q H -1.5265 Soluble
15 P H -1.9833 Soluble
16 G H -2.1612 Soluble
17 R H -2.6687 Soluble
18 S H -1.7326 Soluble
19 L H -0.9902 Soluble
20 R H -1.6667 Soluble
21 L H 0.0000 Buried
22 D H -1.3432 Soluble
23 C H 0.0000 Buried
24 K H -1.4117 Soluble
25 A H 0.0000 Buried
26 S H -0.5280 Soluble
27 G H 0.0787 Aggregation-prone
28 I H 0.3119 Aggregation-prone
29 T H -0.2410 Soluble
30 F H 0.0000 Buried
35 S H -1.1912 Soluble
36 N H -1.2034 Soluble
37 S H -0.9850 Soluble
38 G H -0.9344 Soluble
39 M H 0.0000 Buried
40 H 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 -0.7620 Soluble
45 A H -1.1579 Soluble
46 P H -0.8845 Soluble
47 G H -1.4831 Soluble
48 K H -2.3868 Soluble
49 G H -1.6305 Soluble
50 L H 0.0000 Buried
51 E H -1.0890 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 V H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.7774 Soluble
58 Y H -0.5388 Soluble
59 D H -1.8588 Soluble
62 G H -1.5852 Soluble
63 S H -1.6465 Soluble
64 K H -2.4723 Soluble
65 R H -1.9934 Soluble
66 Y H -1.0498 Soluble
67 Y H -1.0885 Soluble
68 A H 0.0000 Buried
69 D H -2.6157 Soluble
70 S H -1.7153 Soluble
71 V H 0.0000 Buried
72 K H -2.5358 Soluble
74 G H -1.7047 Soluble
75 R H -1.3860 Soluble
76 F H 0.0000 Buried
77 T H -0.8830 Soluble
78 I H 0.0000 Buried
79 S H -0.5877 Soluble
80 R H -1.1029 Soluble
81 D H -1.8339 Soluble
82 N H -1.9401 Soluble
83 S H -1.5955 Soluble
84 K H -2.5587 Soluble
85 N H -1.9703 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 F H -0.7862 Soluble
89 L H 0.0000 Buried
90 Q H -0.9731 Soluble
91 M H 0.0000 Buried
92 N H -1.6857 Soluble
93 S H -1.7916 Soluble
94 L H 0.0000 Buried
95 R H -2.7218 Soluble
96 A H -1.7882 Soluble
97 E H -2.3023 Soluble
98 D H 0.0000 Buried
99 T H -0.4887 Soluble
100 A H 0.0000 Buried
101 V H 0.4702 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 T H 0.0000 Buried
107 N H -2.0090 Soluble
115 D H -2.3941 Soluble
116 D H -1.5020 Soluble
117 Y H -0.3084 Soluble
118 W H -0.3746 Soluble
119 G H 0.0000 Buried
120 Q H -1.2425 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H 0.8996 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.5898 Soluble
128 S H -0.6335 Soluble
129 A H -0.4504 Soluble
130 S H -0.5800 Soluble
131 T H -1.0023 Soluble
132 K H -1.9951 Soluble
133 G H -1.6555 Soluble
134 P H 0.0000 Buried
135 S H -0.5378 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2271 Soluble
139 L H 0.0000 Buried
140 A H -0.8813 Soluble
141 P H 0.0000 Buried
142 S H -0.5427 Soluble
143 S H -0.3209 Soluble
144 G H -0.6268 Soluble
145 T H -0.5490 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.6331 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -0.5475 Soluble
158 E H -0.7304 Soluble
159 P H -0.8643 Soluble
160 V H -0.6909 Soluble
161 T H -0.5699 Soluble
162 V H -0.3245 Soluble
163 S H -0.3325 Soluble
164 W H 0.0000 Buried
165 N H -0.7912 Soluble
166 S H -0.6927 Soluble
167 G H -0.4850 Soluble
168 A H -0.2279 Soluble
169 L H 0.0698 Aggregation-prone
170 T H -0.1312 Soluble
171 S H -0.1376 Soluble
172 G H -0.0791 Soluble
173 V H 0.2555 Aggregation-prone
174 H H -0.0574 Soluble
175 T H 0.0199 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.4455 Soluble
178 A H 0.4119 Aggregation-prone
179 V H 0.4700 Aggregation-prone
180 L H 1.3173 Aggregation-prone
181 Q H 0.2413 Aggregation-prone
182 S H -0.0194 Soluble
183 S H -0.2130 Soluble
184 G H 0.0720 Aggregation-prone
185 L H -0.0879 Soluble
186 Y H 0.0000 Buried
187 S H 0.0000 Buried
188 L H 0.1263 Aggregation-prone
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1869 Soluble
194 V H 0.0000 Buried
195 P H -0.5800 Soluble
196 S H -0.5356 Soluble
197 S H -0.5894 Soluble
198 S H -0.6336 Soluble
199 L H -0.8456 Soluble
200 G H -0.9970 Soluble
201 T H -0.7993 Soluble
202 Q H -1.2498 Soluble
203 T H -1.1641 Soluble
204 Y H 0.0000 Buried
205 I H -1.0612 Soluble
206 C H 0.0000 Buried
207 N H -1.3410 Soluble
208 V H 0.0000 Buried
209 N H -1.7083 Soluble
210 H H 0.0000 Buried
211 K H -2.8204 Soluble
212 P H -1.8030 Soluble
213 S H -2.0491 Soluble
214 N H -2.7583 Soluble
215 T H -2.2946 Soluble
216 K H -2.6045 Soluble
217 V H -1.4746 Soluble
218 D H -2.4047 Soluble
219 K H -1.8410 Soluble
220 K H -2.3413 Soluble
221 V H 0.0000 Buried
222 E H -2.3177 Soluble
223 P H -1.2176 Soluble
1 E L -1.7974 Soluble
2 I L -0.4494 Soluble
3 V L 0.3601 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.8388 Soluble
6 Q L 0.0000 Buried
7 S L -0.7667 Soluble
8 P L -0.3824 Soluble
9 A L -0.3834 Soluble
10 T L -0.0893 Soluble
11 L L -0.0617 Soluble
12 S L -0.5922 Soluble
13 L L -1.0568 Soluble
14 S L -1.4095 Soluble
15 P L -1.7749 Soluble
16 G L -1.9502 Soluble
17 E L -2.5782 Soluble
18 R L -2.8024 Soluble
19 A L 0.0000 Buried
20 T L -0.6558 Soluble
21 L L 0.0000 Buried
22 S L -0.8462 Soluble
23 C L 0.0000 Buried
24 R L -2.3643 Soluble
25 A L -1.2025 Soluble
26 S L -1.0565 Soluble
27 Q L -1.6676 Soluble
28 S L -1.1312 Soluble
29 V L 0.0000 Buried
36 S L -0.4289 Soluble
37 S L -0.1307 Soluble
38 Y L 0.6170 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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -2.6539 Soluble
46 P L -1.9103 Soluble
47 G L -1.7047 Soluble
48 Q L -2.3864 Soluble
49 A L -1.5429 Soluble
50 P L 0.0000 Buried
51 R L -1.5325 Soluble
52 L L -0.6328 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0057 Soluble
56 D L -0.7257 Soluble
57 A L -0.6617 Soluble
65 S L -1.0463 Soluble
66 N L -1.5744 Soluble
67 R L -1.8170 Soluble
68 A L -0.9606 Soluble
69 T L -0.6856 Soluble
70 G L -0.7248 Soluble
71 I L 0.0000 Buried
72 P L -0.5556 Soluble
74 A L -0.5042 Soluble
75 R L -0.9071 Soluble
76 F L 0.0000 Buried
77 S L -0.7879 Soluble
78 G L -0.6758 Soluble
79 S L -0.7840 Soluble
80 G L -0.9922 Soluble
83 S L -0.9189 Soluble
84 G L -1.0199 Soluble
85 T L -1.7063 Soluble
86 D L -2.0372 Soluble
87 F L 0.0000 Buried
88 T L -0.7197 Soluble
89 L L 0.0000 Buried
90 T L -0.5986 Soluble
91 I L 0.0000 Buried
92 S L -1.5223 Soluble
93 S L -1.7716 Soluble
94 L L 0.0000 Buried
95 E L -2.1856 Soluble
96 P L -1.5345 Soluble
97 E L -2.3683 Soluble
98 D L 0.0000 Buried
99 F L -0.7297 Soluble
100 A L 0.0000 Buried
101 V L -0.6306 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 -0.2416 Soluble
108 S L -0.3721 Soluble
109 N L -1.2091 Soluble
114 W L -0.7893 Soluble
115 P L -0.9690 Soluble
116 R L 0.0000 Buried
117 T L -0.3010 Soluble
118 F L 0.0000 Buried
119 G L -0.7696 Soluble
120 Q L -1.4784 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.7728 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.5835 Soluble
127 K L -1.4469 Soluble
128 R L -0.8367 Soluble
129 T L 0.1737 Aggregation-prone
130 V L 1.0488 Aggregation-prone
131 A L 0.3695 Aggregation-prone
132 A L 0.0092 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2110 Soluble
135 V L 0.0000 Buried
136 F L 0.0031 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6355 Soluble
140 P L -0.8966 Soluble
141 S L -1.6958 Soluble
142 D L -2.9853 Soluble
143 E L -2.9840 Soluble
144 Q L 0.0000 Buried
145 L L -2.0926 Soluble
146 K L -2.8014 Soluble
147 S L -1.7423 Soluble
148 G L -1.4632 Soluble
149 T L -1.0177 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 -0.3585 Soluble
158 N L -0.7713 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1335 Soluble
162 R L -2.1067 Soluble
163 E L -2.8611 Soluble
164 A L -2.1932 Soluble
165 K L -2.6924 Soluble
166 V L -1.6177 Soluble
167 Q L -1.7086 Soluble
168 W L 0.0000 Buried
169 K L -1.1418 Soluble
170 V L 0.0000 Buried
171 D L -1.3092 Soluble
172 N L -1.2888 Soluble
173 A L -0.2674 Soluble
174 L L 0.5674 Aggregation-prone
175 Q L -0.6528 Soluble
176 S L -0.9085 Soluble
177 G L -1.0460 Soluble
178 N L -0.8949 Soluble
179 S L -1.5973 Soluble
180 Q L -2.1034 Soluble
181 E L -2.4641 Soluble
182 S L -1.1319 Soluble
183 V L -0.6973 Soluble
184 T L -1.1408 Soluble
185 E L -2.2363 Soluble
186 Q L -1.8953 Soluble
187 D L -2.2464 Soluble
188 S L -1.8704 Soluble
189 K L -2.3389 Soluble
190 D L -1.7797 Soluble
191 S L -1.8425 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 -0.9342 Soluble
199 L L 0.0000 Buried
200 T L -0.2195 Soluble
201 L L -0.5107 Soluble
202 S L -1.5155 Soluble
203 K L -2.2394 Soluble
204 A L -2.2511 Soluble
205 D L -3.0512 Soluble
206 Y L 0.0000 Buried
207 E L -3.5955 Soluble
208 K L -3.7337 Soluble
209 H L -2.8944 Soluble
210 K L -2.7485 Soluble
211 V L -1.2541 Soluble
212 Y L 0.0000 Buried
213 A L -1.0481 Soluble
214 C L 0.0000 Buried
215 E L -1.1928 Soluble
216 V L 0.0000 Buried
217 T L -1.2675 Soluble
218 H L 0.0000 Buried
219 Q L -1.3147 Soluble
220 G L -0.3130 Soluble
221 L L -0.2606 Soluble
222 S L -0.5125 Soluble
223 S L -0.3998 Soluble
224 P L -0.4675 Soluble
225 V L 0.2842 Aggregation-prone
226 T L -0.3658 Soluble
227 K L -0.3511 Soluble
228 S L -0.4968 Soluble
229 F L -0.7622 Soluble
230 N L -1.9239 Soluble
231 R L -2.4082 Soluble
232 G L -1.3824 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 -0.7833 1.8363 CSV PDB
4.5 -0.833 1.8121 CSV PDB
5.0 -0.8903 1.7858 CSV PDB
5.5 -0.9448 1.7614 CSV PDB
6.0 -0.9849 1.7429 CSV PDB
6.5 -1.0014 1.7325 CSV PDB
7.0 -0.9941 1.7282 CSV PDB
7.5 -0.971 1.7266 CSV PDB
8.0 -0.9385 1.7261 CSV PDB
8.5 -0.8986 1.7259 CSV PDB
9.0 -0.851 1.7259 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH