Tremelimumab / 5ggu

A4DAB278_5ggu_A_B | Source PDB: 5ggu | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.641
Max Score
2.3349
Min Score
-3.3345
Total Score
-276.29
Score CDR
-0.049
Score non-CDR
-0.7223

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDPRGATLYYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSINSYLDWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.3345
Maximum Score 2.3349
Average Score -0.641
Total Score -276.2864

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

Index Residue Chain A4D Score Classification
1 Q A -1.2475 Soluble
2 V A -0.4890 Soluble
3 Q A -0.6203 Soluble
4 L A 0.0000 Buried
5 V A 0.7760 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.5230 Soluble
8 G A -1.0362 Soluble
9 G A -0.5812 Soluble
11 G A -0.0088 Soluble
12 V A 0.6034 Aggregation-prone
13 V A 0.0000 Buried
14 Q A -1.9529 Soluble
15 P A -2.1590 Soluble
16 G A -2.2486 Soluble
17 R A -2.8643 Soluble
18 S A -2.1482 Soluble
19 L A -1.4930 Soluble
20 R A -2.1610 Soluble
21 L A 0.0000 Buried
22 S A -0.4510 Soluble
23 C A 0.0000 Buried
24 A A -0.1489 Soluble
25 A A 0.0000 Buried
26 S A -0.7499 Soluble
27 G A -0.7517 Soluble
28 F A -0.2722 Soluble
29 T A -0.1884 Soluble
30 F A 0.0000 Buried
35 S A -0.6269 Soluble
36 S A -0.2120 Soluble
37 Y A 0.0206 Aggregation-prone
38 G A 0.0000 Buried
39 M A 0.0000 Buried
40 H 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 -0.8592 Soluble
45 A A -1.2248 Soluble
46 P A -0.9609 Soluble
47 G A -1.5091 Soluble
48 K A -2.2413 Soluble
49 G A -1.3663 Soluble
50 L A 0.0000 Buried
51 E A -1.0543 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 V A 0.0000 Buried
56 I A 0.0000 Buried
57 W A -0.2426 Soluble
58 Y A -0.1782 Soluble
59 D A -1.6528 Soluble
62 G A -1.1694 Soluble
63 S A -0.9726 Soluble
64 N A -0.8973 Soluble
65 K A -0.7029 Soluble
66 Y A -0.3443 Soluble
67 Y A -0.8922 Soluble
68 A A 0.0000 Buried
69 D A -2.6647 Soluble
70 S A -1.7932 Soluble
71 V A 0.0000 Buried
72 K A -2.4655 Soluble
74 G A -1.6386 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.8529 Soluble
78 I A 0.0000 Buried
79 S A -0.5339 Soluble
80 R A -1.1022 Soluble
81 D A -1.8637 Soluble
82 N A -1.8930 Soluble
83 S A -1.6588 Soluble
84 K A -2.4245 Soluble
85 N A -1.8353 Soluble
86 T A -1.0811 Soluble
87 L A 0.0000 Buried
88 Y A -0.5586 Soluble
89 L A 0.0000 Buried
90 Q A -1.2654 Soluble
91 M A 0.0000 Buried
92 N A -1.8537 Soluble
93 S A -1.7686 Soluble
94 L A 0.0000 Buried
95 R A -2.6803 Soluble
96 A A -1.7990 Soluble
97 E A -2.2725 Soluble
98 D A 0.0000 Buried
99 T A -0.7355 Soluble
100 A A 0.0000 Buried
101 V A 0.0252 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.1196 Soluble
107 D A 0.0000 Buried
108 P A 0.0000 Buried
109 R A 0.1348 Aggregation-prone
110 G A 1.0706 Aggregation-prone
111 A A 0.8226 Aggregation-prone
111A T A 1.2225 Aggregation-prone
111B L A 2.2836 Aggregation-prone
112C Y A 2.3349 Aggregation-prone
112B Y A 2.2332 Aggregation-prone
112A Y A 1.7219 Aggregation-prone
112 Y A 0.0000 Buried
113 Y A 0.4904 Aggregation-prone
114 G A 0.0000 Buried
115 M A 0.0000 Buried
116 D A -0.4625 Soluble
117 V A -0.2145 Soluble
118 W A -0.4353 Soluble
119 G A 0.0000 Buried
120 Q A -1.3086 Soluble
121 G A -0.7151 Soluble
122 T A -0.2545 Soluble
123 T A -0.0478 Soluble
124 V A 0.0000 Buried
125 T A -0.3243 Soluble
126 V A 0.0000 Buried
127 S A -0.8565 Soluble
128 S A -0.5715 Soluble
129 A A -0.4205 Soluble
130 S A -0.5228 Soluble
131 T A -0.5734 Soluble
132 K A -1.2055 Soluble
133 G A -1.3758 Soluble
134 P A 0.0000 Buried
135 S A -0.4225 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2159 Soluble
139 L A 0.0000 Buried
140 A A -0.8471 Soluble
141 P A -0.4681 Soluble
142 G A -0.6729 Soluble
143 T A -0.4757 Soluble
144 A A -0.2143 Soluble
145 A A 0.0000 Buried
146 L A 0.0000 Buried
147 G A 0.0000 Buried
148 C A 0.0000 Buried
149 L A 0.0000 Buried
150 V A 0.0000 Buried
151 K A 0.0000 Buried
152 D A -0.4891 Soluble
153 Y A 0.0000 Buried
154 F A 0.0000 Buried
155 P A 0.0000 Buried
156 E A -0.8075 Soluble
157 P A -0.9798 Soluble
158 V A -0.7758 Soluble
159 T A -0.5628 Soluble
160 V A -0.2790 Soluble
161 S A -0.2728 Soluble
162 W A 0.0000 Buried
163 N A -0.6622 Soluble
164 S A -0.5726 Soluble
165 G A -0.4073 Soluble
166 A A -0.1934 Soluble
167 L A 0.0552 Aggregation-prone
168 T A -0.1164 Soluble
169 S A -0.3308 Soluble
170 G A -0.3427 Soluble
171 V A 0.2674 Aggregation-prone
172 H A 0.0000 Buried
173 T A -0.1046 Soluble
174 F A 0.0000 Buried
175 P A -0.4428 Soluble
176 A A 0.0451 Aggregation-prone
177 V A 0.3298 Aggregation-prone
178 L A 0.9879 Aggregation-prone
179 Q A 0.2067 Aggregation-prone
180 S A -0.0807 Soluble
181 S A -0.2311 Soluble
182 G A -0.0380 Soluble
183 L A -0.0529 Soluble
184 Y A 0.0000 Buried
185 S A 0.0000 Buried
186 L A 0.0000 Buried
187 S A 0.0000 Buried
188 S A 0.0000 Buried
189 V A 0.0000 Buried
190 V A 0.0000 Buried
191 T A -0.1168 Soluble
192 V A 0.0000 Buried
193 P A -0.5857 Soluble
194 S A -0.5410 Soluble
195 S A -0.5800 Soluble
196 S A -0.5495 Soluble
197 L A -0.7375 Soluble
198 G A -1.0144 Soluble
199 T A -0.6244 Soluble
200 Q A -1.0852 Soluble
201 T A -1.0190 Soluble
202 Y A 0.0000 Buried
203 I A -1.1323 Soluble
204 C A 0.0000 Buried
205 N A 0.0000 Buried
206 V A 0.0000 Buried
207 N A -1.8492 Soluble
208 H A 0.0000 Buried
209 K A -2.8020 Soluble
210 P A -1.7022 Soluble
211 S A -1.8486 Soluble
212 N A -2.6218 Soluble
213 T A -2.0769 Soluble
214 K A -2.5980 Soluble
215 V A -1.4077 Soluble
216 D A -2.4607 Soluble
217 K A -1.9473 Soluble
218 K A -2.4760 Soluble
219 V A 0.0000 Buried
220 E A -2.4539 Soluble
221 P A -1.1870 Soluble
1 D B -2.5091 Soluble
2 I B 0.0000 Buried
3 Q B -2.1844 Soluble
4 M B 0.0000 Buried
5 T B -1.2753 Soluble
6 Q B 0.0000 Buried
7 S B -0.7929 Soluble
8 P B -0.5431 Soluble
9 S B -0.7598 Soluble
10 S B -0.8049 Soluble
11 L B -0.3938 Soluble
12 S B -0.6501 Soluble
13 A B 0.0000 Buried
14 S B -0.2388 Soluble
15 V B 0.5469 Aggregation-prone
16 G B -0.5932 Soluble
17 D B -1.3918 Soluble
18 R B -2.1981 Soluble
19 V B 0.0000 Buried
20 T B -0.5733 Soluble
21 I B 0.0000 Buried
22 T B -0.8831 Soluble
23 C B 0.0000 Buried
24 R B -2.8757 Soluble
25 A B 0.0000 Buried
26 S B -1.9311 Soluble
27 Q B -2.0616 Soluble
28 S B -1.3582 Soluble
29 I B 0.0000 Buried
36 N B -1.4356 Soluble
37 S B -0.5759 Soluble
38 Y B 0.4809 Aggregation-prone
39 L B 0.0000 Buried
40 D B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.7779 Soluble
46 P B -1.5902 Soluble
47 G B -1.6560 Soluble
48 K B -2.5949 Soluble
49 A B -1.6476 Soluble
50 P B 0.0000 Buried
51 K B -1.7711 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.0000 Buried
56 A B 0.1306 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.2293 Soluble
66 S B 0.1212 Aggregation-prone
67 L B 0.2701 Aggregation-prone
68 Q B -0.3323 Soluble
69 S B -0.4014 Soluble
70 G B -0.5614 Soluble
71 V B 0.0000 Buried
72 P B -0.4063 Soluble
74 S B -0.4548 Soluble
75 R B -0.9094 Soluble
76 F B 0.0000 Buried
77 S B -0.3530 Soluble
78 G B -0.2961 Soluble
79 S B -0.7266 Soluble
80 G B -1.3507 Soluble
83 S B -1.4139 Soluble
84 G B -1.6162 Soluble
85 T B -2.0539 Soluble
86 D B -2.5830 Soluble
87 F B 0.0000 Buried
88 T B -0.8256 Soluble
89 L B 0.0000 Buried
90 T B -0.6235 Soluble
91 I B 0.0000 Buried
92 S B -1.3971 Soluble
93 S B -1.1650 Soluble
94 L B 0.0000 Buried
95 Q B -0.8996 Soluble
96 P B -0.8638 Soluble
97 E B -1.9024 Soluble
98 D B 0.0000 Buried
99 F B -0.4851 Soluble
100 A B 0.0000 Buried
101 T B -0.8918 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 Y B 0.0000 Buried
108 Y B 0.6738 Aggregation-prone
109 S B 0.0607 Aggregation-prone
114 T B -0.3946 Soluble
115 P B -0.9200 Soluble
116 F B 0.0000 Buried
117 T B -0.5905 Soluble
118 F B -0.2980 Soluble
119 G B 0.0000 Buried
120 P B -0.8620 Soluble
121 G B -0.8638 Soluble
122 T B 0.0000 Buried
123 K B -1.6479 Soluble
124 V B 0.0000 Buried
125 E B -0.6458 Soluble
126 I B -0.1153 Soluble
127 K B -1.0037 Soluble
128 R B -0.7429 Soluble
129 T B 0.1230 Aggregation-prone
130 V B 0.8260 Aggregation-prone
131 A B 0.3780 Aggregation-prone
132 A B 0.0050 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.0588 Soluble
135 V B 0.1113 Aggregation-prone
136 F B 0.3410 Aggregation-prone
137 I B 0.2701 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5293 Soluble
140 P B 0.0000 Buried
141 S B -1.7394 Soluble
142 D B -3.1289 Soluble
143 E B -3.3030 Soluble
144 Q B 0.0000 Buried
145 L B -2.3623 Soluble
146 K B -2.9849 Soluble
147 S B -1.8601 Soluble
148 G B -1.4747 Soluble
149 T B -1.1016 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 -0.8282 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.5592 Soluble
162 R B -2.9518 Soluble
163 E B -3.1581 Soluble
164 A B -2.3489 Soluble
165 K B -2.7943 Soluble
166 V B 0.0000 Buried
167 Q B -0.8640 Soluble
168 W B 0.0000 Buried
169 K B -0.6428 Soluble
170 V B 0.0000 Buried
171 D B -1.9709 Soluble
172 N B -1.5427 Soluble
173 A B -0.2694 Soluble
174 L B 0.7411 Aggregation-prone
175 Q B -0.0979 Soluble
176 S B -0.4053 Soluble
177 G B -0.8706 Soluble
178 N B -0.7627 Soluble
179 S B -1.1347 Soluble
180 Q B -1.3370 Soluble
181 E B -2.1278 Soluble
182 S B -0.7526 Soluble
183 V B -0.8436 Soluble
184 T B 0.0000 Buried
185 E B -2.1905 Soluble
186 Q B -1.7520 Soluble
187 D B -1.6968 Soluble
188 S B -1.5333 Soluble
189 K B -2.1485 Soluble
190 D B -1.4295 Soluble
191 S B -1.4936 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 -0.6180 Soluble
199 L B 0.0000 Buried
200 T B -0.4329 Soluble
201 L B -0.6463 Soluble
202 S B -1.0695 Soluble
203 K B -1.9282 Soluble
204 A B -1.7480 Soluble
205 D B -2.6287 Soluble
206 Y B 0.0000 Buried
207 E B -2.8399 Soluble
208 K B -3.3345 Soluble
209 H B -2.8759 Soluble
210 K B -3.1428 Soluble
211 V B -1.4690 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -1.0460 Soluble
216 V B 0.0000 Buried
217 T B -1.2799 Soluble
218 H B 0.0000 Buried
219 Q B -1.6865 Soluble
220 G B -0.2802 Soluble
221 L B -0.1510 Soluble
222 S B -0.4279 Soluble
223 S B -0.4082 Soluble
224 P B -0.6619 Soluble
225 V B 0.0069 Aggregation-prone
226 T B -0.4768 Soluble
227 K B -0.6365 Soluble
228 S B -0.4808 Soluble
229 F B -0.9221 Soluble
230 N B -2.0080 Soluble
231 R B -2.3938 Soluble
232 G B -2.1176 Soluble
233 E B -2.5227 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 -0.6771 2.8534 CSV PDB
4.5 -0.7194 2.8534 CSV PDB
5.0 -0.7671 2.8534 CSV PDB
5.5 -0.8119 2.8534 CSV PDB
6.0 -0.8436 2.8534 CSV PDB
6.5 -0.8537 2.8534 CSV PDB
7.0 -0.842 2.8534 CSV PDB
7.5 -0.8152 2.8533 CSV PDB
8.0 -0.7794 2.8529 CSV PDB
8.5 -0.7365 2.8517 CSV PDB
9.0 -0.687 2.8481 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH