Tremelimumab / 5ggu

A4DAB278_5ggu_H_L | Source PDB: 5ggu | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6364
Max Score
2.3241
Min Score
-3.6257
Total Score
-274.27
Score CDR
-0.0231
Score non-CDR
-0.7205

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDPRGATLYYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSINSYLDWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.6257
Maximum Score 2.3241
Average Score -0.6364
Total Score -274.2709

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

Index Residue Chain A4D Score Classification
1 Q H -1.1811 Soluble
2 V H -0.3391 Soluble
3 Q H -0.7204 Soluble
4 L H 0.0000 Buried
5 V H 0.6756 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5132 Soluble
8 G H -0.9754 Soluble
9 G H -0.5640 Soluble
11 G H 0.1365 Aggregation-prone
12 V H 0.5351 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.9745 Soluble
15 P H -2.1651 Soluble
16 G H -2.2527 Soluble
17 R H -2.8606 Soluble
18 S H -2.0864 Soluble
19 L H -1.3952 Soluble
20 R H -1.9886 Soluble
21 L H 0.0000 Buried
22 S H -0.3590 Soluble
23 C H 0.0000 Buried
24 A H -0.1555 Soluble
25 A H 0.0000 Buried
26 S H -0.7518 Soluble
27 G H -0.7250 Soluble
28 F H -0.2245 Soluble
29 T H -0.1107 Soluble
30 F H 0.0000 Buried
35 S H -0.7440 Soluble
36 S H -0.2597 Soluble
37 Y H 0.0000 Buried
38 G H 0.0000 Buried
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 -0.8836 Soluble
45 A H -1.2646 Soluble
46 P H -0.9953 Soluble
47 G H -1.5248 Soluble
48 K H -2.2555 Soluble
49 G H -1.4113 Soluble
50 L H 0.0000 Buried
51 E H -1.0195 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 -0.4443 Soluble
58 Y H -0.3260 Soluble
59 D H -1.8238 Soluble
62 G H -1.4069 Soluble
63 S H -1.1697 Soluble
64 N H -1.3442 Soluble
65 K H -0.8931 Soluble
66 Y H -0.4571 Soluble
67 Y H -0.8804 Soluble
68 A H 0.0000 Buried
69 D H -2.6587 Soluble
70 S H -1.7557 Soluble
71 V H 0.0000 Buried
72 K H -2.5346 Soluble
74 G H -1.7385 Soluble
75 R H -1.4255 Soluble
76 F H 0.0000 Buried
77 T H -0.7866 Soluble
78 I H 0.0000 Buried
79 S H -0.5192 Soluble
80 R H -1.2328 Soluble
81 D H -2.1824 Soluble
82 N H -2.1127 Soluble
83 S H -1.7810 Soluble
84 K H -2.5937 Soluble
85 N H -2.0793 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.3737 Soluble
89 L H 0.0000 Buried
90 Q H -1.0246 Soluble
91 M H 0.0000 Buried
92 N H -1.8514 Soluble
93 S H -1.8024 Soluble
94 L H 0.0000 Buried
95 R H -2.5010 Soluble
96 A H -1.6972 Soluble
97 E H -2.2054 Soluble
98 D H 0.0000 Buried
99 T H -0.6878 Soluble
100 A H 0.0000 Buried
101 V H -0.0544 Soluble
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 -0.1659 Soluble
107 D H 0.0000 Buried
108 P H 0.0000 Buried
109 R H 0.4886 Aggregation-prone
110 G H 1.1308 Aggregation-prone
111 A H 0.8163 Aggregation-prone
111A T H 1.2513 Aggregation-prone
111B L H 2.2273 Aggregation-prone
112C Y H 2.3241 Aggregation-prone
112B Y H 2.1888 Aggregation-prone
112A Y H 1.6406 Aggregation-prone
112 Y H 0.0000 Buried
113 Y H 0.7048 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.3989 Soluble
117 V H -0.2193 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3417 Soluble
121 G H 0.0000 Buried
122 T H -0.2801 Soluble
123 T H -0.1279 Soluble
124 V H 0.0000 Buried
125 T H -0.3445 Soluble
126 V H 0.0000 Buried
127 S H -0.7913 Soluble
128 S H -0.5905 Soluble
129 A H -0.4158 Soluble
130 S H -0.5149 Soluble
131 T H -0.6041 Soluble
132 K H -1.1765 Soluble
133 G H -1.3703 Soluble
134 P H 0.0000 Buried
135 S H -0.4309 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1040 Soluble
139 L H 0.0000 Buried
140 A H -0.7849 Soluble
141 P H -0.4515 Soluble
142 G H -0.6493 Soluble
143 T H -0.4599 Soluble
144 A H -0.2015 Soluble
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H -0.2926 Soluble
152 D H -0.4839 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H -0.7185 Soluble
156 E H -1.0663 Soluble
157 P H -1.1033 Soluble
158 V H -0.8341 Soluble
159 T H -0.6103 Soluble
160 V H -0.2114 Soluble
161 S H -0.3685 Soluble
162 W H 0.0000 Buried
163 N H -0.6555 Soluble
164 S H -0.6506 Soluble
165 G H -0.5627 Soluble
166 A H -0.2426 Soluble
167 L H 0.0263 Aggregation-prone
168 T H -0.1612 Soluble
169 S H -0.3502 Soluble
170 G H -0.2752 Soluble
171 V H 0.1427 Aggregation-prone
172 H H -0.3625 Soluble
173 T H -0.1976 Soluble
174 F H 0.0000 Buried
175 P H -0.4759 Soluble
176 A H 0.0288 Aggregation-prone
177 V H 0.4568 Aggregation-prone
178 L H 0.8867 Aggregation-prone
179 Q H 0.1763 Aggregation-prone
180 S H -0.0870 Soluble
181 S H -0.2009 Soluble
182 G H 0.0227 Aggregation-prone
183 L H -0.0236 Soluble
184 Y H 0.2033 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1455 Soluble
192 V H 0.0000 Buried
193 P H -0.5649 Soluble
194 S H -0.4990 Soluble
195 S H -0.5591 Soluble
196 S H -0.5097 Soluble
197 L H -0.6928 Soluble
198 G H -0.9924 Soluble
199 T H -0.6248 Soluble
200 Q H -1.0668 Soluble
201 T H -0.9376 Soluble
202 Y H 0.0000 Buried
203 I H -1.0192 Soluble
204 C H 0.0000 Buried
205 N H -1.3695 Soluble
206 V H 0.0000 Buried
207 N H -1.9189 Soluble
208 H H 0.0000 Buried
209 K H -2.8070 Soluble
210 P H -1.7199 Soluble
211 S H -1.8403 Soluble
212 N H -2.5768 Soluble
213 T H -2.0770 Soluble
214 K H -2.6621 Soluble
215 V H -1.5638 Soluble
216 D H -2.4326 Soluble
217 K H -1.8523 Soluble
218 K H -2.1768 Soluble
219 V H 0.0000 Buried
220 E H -2.3795 Soluble
221 P H -1.3206 Soluble
1 D L -2.4055 Soluble
2 I L 0.0000 Buried
3 Q L -2.0935 Soluble
4 M L 0.0000 Buried
5 T L -1.1889 Soluble
6 Q L 0.0000 Buried
7 S L -0.6182 Soluble
8 P L -0.3489 Soluble
9 S L -0.4589 Soluble
10 S L -0.3384 Soluble
11 L L -0.1396 Soluble
12 S L -0.4056 Soluble
13 A L 0.0000 Buried
14 S L -0.0983 Soluble
15 V L 0.6467 Aggregation-prone
16 G L -0.5124 Soluble
17 D L -1.2649 Soluble
18 R L -2.1227 Soluble
19 V L 0.0000 Buried
20 T L -0.5865 Soluble
21 I L 0.0000 Buried
22 T L -0.7529 Soluble
23 C L 0.0000 Buried
24 R L -2.6093 Soluble
25 A L -2.0304 Soluble
26 S L -1.8415 Soluble
27 Q L -1.9341 Soluble
28 S L -1.2510 Soluble
29 I L 0.0000 Buried
36 N L -1.3383 Soluble
37 S L -0.4803 Soluble
38 Y L 0.5886 Aggregation-prone
39 L L 0.0000 Buried
40 D 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 -2.6132 Soluble
46 P L -2.0487 Soluble
47 G L -1.9049 Soluble
48 K L -2.8301 Soluble
49 A L -1.7902 Soluble
50 P L 0.0000 Buried
51 K L -1.5111 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 A L 0.1474 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.2277 Soluble
66 S L 0.0937 Aggregation-prone
67 L L 0.3146 Aggregation-prone
68 Q L -0.2197 Soluble
69 S L -0.3368 Soluble
70 G L -0.4645 Soluble
71 V L -0.2701 Soluble
72 P L -0.3074 Soluble
74 S L -0.3874 Soluble
75 R L -0.8071 Soluble
76 F L 0.0000 Buried
77 S L -0.3126 Soluble
78 G L -0.2840 Soluble
79 S L -0.6288 Soluble
80 G L -1.1877 Soluble
83 S L -1.2810 Soluble
84 G L -1.4856 Soluble
85 T L -1.8127 Soluble
86 D L -2.1506 Soluble
87 F L 0.0000 Buried
88 T L -0.7109 Soluble
89 L L 0.0000 Buried
90 T L -0.6149 Soluble
91 I L 0.0000 Buried
92 S L -1.3574 Soluble
93 S L -1.0424 Soluble
94 L L 0.0000 Buried
95 Q L -0.7860 Soluble
96 P L -0.8099 Soluble
97 E L -1.9676 Soluble
98 D L 0.0000 Buried
99 F L -0.3876 Soluble
100 A L 0.0000 Buried
101 T L -0.6342 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 Y L 0.8416 Aggregation-prone
108 Y L 0.9422 Aggregation-prone
109 S L 0.1894 Aggregation-prone
114 T L -0.1152 Soluble
115 P L -0.4912 Soluble
116 F L -0.0616 Soluble
117 T L -0.5274 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 P L -0.7748 Soluble
121 G L -0.6039 Soluble
122 T L 0.0000 Buried
123 K L -0.5298 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.0078 Soluble
127 K L -0.8038 Soluble
128 R L -0.8520 Soluble
129 T L -0.0374 Soluble
130 V L 0.4826 Aggregation-prone
131 A L 0.0116 Aggregation-prone
132 A L -0.0685 Soluble
133 P L 0.0000 Buried
134 S L -0.0392 Soluble
135 V L 0.0930 Aggregation-prone
136 F L 0.3060 Aggregation-prone
137 I L 0.2067 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5336 Soluble
140 P L 0.0000 Buried
141 S L -1.6109 Soluble
142 D L -2.9122 Soluble
143 E L -2.9157 Soluble
144 Q L 0.0000 Buried
145 L L -2.2283 Soluble
146 K L -2.8210 Soluble
147 S L -1.7530 Soluble
148 G L -1.2720 Soluble
149 T L -1.0216 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 -0.9017 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5933 Soluble
162 R L -2.9098 Soluble
163 E L -3.0780 Soluble
164 A L -2.0594 Soluble
165 K L -2.0715 Soluble
166 V L -0.8447 Soluble
167 Q L -0.5298 Soluble
168 W L 0.0000 Buried
169 K L -0.5899 Soluble
170 V L 0.0000 Buried
171 D L -1.9694 Soluble
172 N L -1.5441 Soluble
173 A L -0.2399 Soluble
174 L L 0.7822 Aggregation-prone
175 Q L -0.0577 Soluble
176 S L -0.3656 Soluble
177 G L -0.8608 Soluble
178 N L -0.7334 Soluble
179 S L -1.0414 Soluble
180 Q L -1.3278 Soluble
181 E L -1.8073 Soluble
182 S L -0.7381 Soluble
183 V L -0.8123 Soluble
184 T L -1.2361 Soluble
185 E L -2.2839 Soluble
186 Q L -1.8220 Soluble
187 D L -1.8860 Soluble
188 S L -1.6328 Soluble
189 K L -2.1959 Soluble
190 D L -1.5520 Soluble
191 S L -1.5551 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 -0.5920 Soluble
199 L L 0.0000 Buried
200 T L -0.2860 Soluble
201 L L -0.6181 Soluble
202 S L -1.0053 Soluble
203 K L -1.9852 Soluble
204 A L -1.8337 Soluble
205 D L -2.4863 Soluble
206 Y L 0.0000 Buried
207 E L -3.5310 Soluble
208 K L -3.6257 Soluble
209 H L -3.0462 Soluble
210 K L -3.2862 Soluble
211 V L -1.4291 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8334 Soluble
216 V L 0.0000 Buried
217 T L -1.0524 Soluble
218 H L 0.0000 Buried
219 Q L -1.6585 Soluble
220 G L -0.3685 Soluble
221 L L -0.1610 Soluble
222 S L -0.4150 Soluble
223 S L -0.4092 Soluble
224 P L -0.4636 Soluble
225 V L -0.0227 Soluble
226 T L -0.4886 Soluble
227 K L -0.7055 Soluble
228 S L -0.5217 Soluble
229 F L -0.9349 Soluble
230 N L -1.9298 Soluble
231 R L -2.6563 Soluble
232 G L -2.1896 Soluble
233 E L -2.5194 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 -0.6498 2.7227 CSV PDB
4.5 -0.6906 2.7227 CSV PDB
5.0 -0.7379 2.7227 CSV PDB
5.5 -0.7829 2.7227 CSV PDB
6.0 -0.8153 2.7227 CSV PDB
6.5 -0.8271 2.7227 CSV PDB
7.0 -0.8179 2.7226 CSV PDB
7.5 -0.7943 2.7225 CSV PDB
8.0 -0.7622 2.7222 CSV PDB
8.5 -0.7234 2.7212 CSV PDB
9.0 -0.6785 2.718 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH