Tremelimumab / 5ggv

A4DAB278_5ggv_H_L | Source PDB: 5ggv | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6749
Max Score
2.2431
Min Score
-3.7983
Total Score
-295.59
Score CDR
-0.0458
Score non-CDR
-0.7596

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDPRGATLYYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSINSYLDWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7983
Maximum Score 2.2431
Average Score -0.6749
Total Score -295.5885

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

Index Residue Chain A4D Score Classification
1 Q H -1.2467 Soluble
2 V H -0.4813 Soluble
3 Q H -0.9666 Soluble
4 L H 0.0000 Buried
5 V H 0.2033 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6167 Soluble
8 G H -0.9164 Soluble
9 G H -0.6044 Soluble
11 G H -0.0855 Soluble
12 V H 0.2920 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.6641 Soluble
15 P H -1.9470 Soluble
16 G H -2.0875 Soluble
17 R H -2.7269 Soluble
18 S H -2.0771 Soluble
19 L H -1.4860 Soluble
20 R H -2.1374 Soluble
21 L H 0.0000 Buried
22 S H -0.5524 Soluble
23 C H 0.0000 Buried
24 A H -0.3685 Soluble
25 A H 0.0000 Buried
26 S H -0.6399 Soluble
27 G H -0.7284 Soluble
28 F H -0.2481 Soluble
29 T H -0.0703 Soluble
30 F H 0.0000 Buried
35 S H -0.7574 Soluble
36 S H -0.1510 Soluble
37 Y H 0.0707 Aggregation-prone
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 -0.8843 Soluble
45 A H -1.2556 Soluble
46 P H -1.0051 Soluble
47 G H -1.5207 Soluble
48 K H -2.2583 Soluble
49 G H -1.4267 Soluble
50 L H 0.0000 Buried
51 E H -1.0539 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 -0.4073 Soluble
58 Y H -0.1956 Soluble
59 D H -1.4657 Soluble
62 G H -1.2175 Soluble
63 S H -1.0601 Soluble
64 N H -1.1592 Soluble
65 K H -0.6854 Soluble
66 Y H -0.1788 Soluble
67 Y H -0.6749 Soluble
68 A H 0.0000 Buried
69 D H -2.6499 Soluble
70 S H -1.8389 Soluble
71 V H 0.0000 Buried
72 K H -2.5252 Soluble
74 G H -1.7879 Soluble
75 R H -1.4030 Soluble
76 F H 0.0000 Buried
77 T H -0.8909 Soluble
78 I H 0.0000 Buried
79 S H -0.5874 Soluble
80 R H -1.0899 Soluble
81 D H -1.8266 Soluble
82 N H -1.9145 Soluble
83 S H -1.6558 Soluble
84 K H -2.4930 Soluble
85 N H -1.9377 Soluble
86 T H -1.1816 Soluble
87 L H 0.0000 Buried
88 Y H -0.6158 Soluble
89 L H 0.0000 Buried
90 Q H -1.3341 Soluble
91 M H 0.0000 Buried
92 N H -1.9434 Soluble
93 S H -1.7586 Soluble
94 L H 0.0000 Buried
95 R H -2.4650 Soluble
96 A H -1.6528 Soluble
97 E H -2.2313 Soluble
98 D H 0.0000 Buried
99 T H -0.7756 Soluble
100 A H 0.0000 Buried
101 V H -0.0448 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 -0.0589 Soluble
107 D H 0.0000 Buried
108 P H 0.0000 Buried
109 R H 0.1118 Aggregation-prone
110 G H 1.0062 Aggregation-prone
111 A H 0.8570 Aggregation-prone
111A T H 1.2237 Aggregation-prone
111B L H 2.2326 Aggregation-prone
112C Y H 2.2431 Aggregation-prone
112B Y H 2.1407 Aggregation-prone
112A Y H 1.5274 Aggregation-prone
112 Y H 0.0000 Buried
113 Y H 0.5049 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.4623 Soluble
117 V H -0.2332 Soluble
118 W H -0.3463 Soluble
119 G H 0.0000 Buried
120 Q H -1.4639 Soluble
121 G H -0.7086 Soluble
122 T H -0.3576 Soluble
123 T H -0.2892 Soluble
124 V H 0.0000 Buried
125 T H -0.4088 Soluble
126 V H 0.0000 Buried
127 S H -0.7014 Soluble
128 S H -0.4826 Soluble
129 A H -0.3677 Soluble
130 S H -0.4735 Soluble
131 T H -0.6107 Soluble
132 K H -1.0946 Soluble
133 G H -1.2970 Soluble
134 P H 0.0000 Buried
135 S H -0.4206 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2621 Soluble
139 L H 0.0000 Buried
140 A H -0.9363 Soluble
141 P H 0.0000 Buried
142 S H -0.7199 Soluble
143 S H -0.6386 Soluble
144 K H -0.9086 Soluble
145 S H 0.0000 Buried
146 T H -0.6456 Soluble
147 S H -0.7170 Soluble
148 G H -0.8002 Soluble
149 G H -0.8715 Soluble
150 T H -0.6225 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3016 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.7179 Soluble
163 E H -1.1026 Soluble
164 P H -1.1303 Soluble
165 V H -0.6067 Soluble
166 T H -0.5594 Soluble
167 V H -0.1480 Soluble
168 S H -0.4006 Soluble
169 W H 0.0000 Buried
170 N H -0.9133 Soluble
171 S H -0.7290 Soluble
172 G H -0.5582 Soluble
173 A H -0.2663 Soluble
174 L H -0.0000 Buried
175 T H -0.1664 Soluble
176 S H -0.1636 Soluble
177 G H -0.2046 Soluble
178 V H 0.1737 Aggregation-prone
179 H H -0.3091 Soluble
180 T H 0.0333 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3922 Soluble
183 A H 0.1382 Aggregation-prone
184 V H 0.5104 Aggregation-prone
185 L H 1.1976 Aggregation-prone
186 Q H 0.2234 Aggregation-prone
187 S H -0.1457 Soluble
188 S H -0.1671 Soluble
189 G H 0.0761 Aggregation-prone
190 L H 0.0851 Aggregation-prone
191 Y H 0.3392 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.1627 Aggregation-prone
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1336 Soluble
199 V H 0.0000 Buried
200 P H -0.5307 Soluble
201 S H -0.5665 Soluble
202 S H -0.5766 Soluble
203 S H 0.0000 Buried
204 L H -0.8309 Soluble
205 G H -1.1306 Soluble
206 T H -0.8312 Soluble
207 Q H -1.4872 Soluble
208 T H -1.3221 Soluble
209 Y H 0.0000 Buried
210 I H -1.5327 Soluble
211 C H 0.0000 Buried
212 N H -1.5589 Soluble
213 V H 0.0000 Buried
214 N H -1.7440 Soluble
215 H H 0.0000 Buried
216 K H -2.7544 Soluble
217 P H -1.7156 Soluble
218 S H -1.8188 Soluble
219 N H -2.5029 Soluble
220 T H -2.0370 Soluble
221 K H -2.6444 Soluble
222 V H -1.7394 Soluble
223 D H -2.7047 Soluble
224 K H -2.3158 Soluble
225 K H -2.7148 Soluble
226 V H 0.0000 Buried
227 E H -2.5596 Soluble
228 P H -1.2129 Soluble
1 D L -2.5308 Soluble
2 I L 0.0000 Buried
3 Q L -2.0505 Soluble
4 M L 0.0000 Buried
5 T L -0.9177 Soluble
6 Q L 0.0000 Buried
7 S L -0.5240 Soluble
8 P L -0.5079 Soluble
9 S L -0.7656 Soluble
10 S L -0.9066 Soluble
11 L L -0.6231 Soluble
12 S L -0.9099 Soluble
13 A L 0.0000 Buried
14 S L -0.4227 Soluble
15 V L 0.3957 Aggregation-prone
16 G L -0.6858 Soluble
17 D L -1.5162 Soluble
18 R L -2.2578 Soluble
19 V L 0.0000 Buried
20 T L -0.5770 Soluble
21 I L 0.0000 Buried
22 T L -0.6649 Soluble
23 C L 0.0000 Buried
24 R L -1.9171 Soluble
25 A L 0.0000 Buried
26 S L -1.8725 Soluble
27 Q L -2.2368 Soluble
28 S L -1.4432 Soluble
29 I L 0.0000 Buried
36 N L -1.4971 Soluble
37 S L -0.6514 Soluble
38 Y L 0.3805 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 -1.8286 Soluble
46 P L -1.6525 Soluble
47 G L -1.6924 Soluble
48 K L -2.5920 Soluble
49 A L -1.6272 Soluble
50 P L 0.0000 Buried
51 K L -1.6400 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 0.0756 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.2799 Soluble
66 S L 0.0212 Aggregation-prone
67 L L 0.1234 Aggregation-prone
68 Q L -0.3657 Soluble
69 S L -0.4142 Soluble
70 G L -0.5066 Soluble
71 V L -0.3718 Soluble
72 P L -0.3600 Soluble
74 S L -0.4746 Soluble
75 R L -0.8363 Soluble
76 F L 0.0000 Buried
77 S L -0.3672 Soluble
78 G L -0.3057 Soluble
79 S L -0.7333 Soluble
80 G L -1.2290 Soluble
83 S L -1.2974 Soluble
84 G L -1.6173 Soluble
85 T L -1.9548 Soluble
86 D L -2.5786 Soluble
87 F L 0.0000 Buried
88 T L -0.7168 Soluble
89 L L 0.0000 Buried
90 T L -0.6210 Soluble
91 I L 0.0000 Buried
92 S L -1.4377 Soluble
93 S L -1.1759 Soluble
94 L L 0.0000 Buried
95 Q L -0.9274 Soluble
96 P L -0.9199 Soluble
97 E L -1.9025 Soluble
98 D L 0.0000 Buried
99 F L -0.5993 Soluble
100 A L 0.0000 Buried
101 T L -0.9098 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 0.6318 Aggregation-prone
108 Y L 0.8898 Aggregation-prone
109 S L 0.2025 Aggregation-prone
114 T L -0.2538 Soluble
115 P L -0.6732 Soluble
116 F L 0.0053 Aggregation-prone
117 T L -0.5517 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 P L -1.0002 Soluble
121 G L -0.8650 Soluble
122 T L 0.0000 Buried
123 K L -1.6391 Soluble
124 V L 0.0000 Buried
125 E L -0.9987 Soluble
126 I L -0.6353 Soluble
127 K L -1.3804 Soluble
128 R L -1.1107 Soluble
129 T L -0.2252 Soluble
130 V L 0.1196 Aggregation-prone
131 A L -0.1373 Soluble
132 A L -0.1711 Soluble
133 P L 0.0000 Buried
134 S L -0.2518 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6734 Soluble
140 P L -0.8908 Soluble
141 S L -1.7263 Soluble
142 D L -3.1202 Soluble
143 E L -3.2939 Soluble
144 Q L 0.0000 Buried
145 L L -2.2656 Soluble
146 K L -2.9657 Soluble
147 S L -1.8006 Soluble
148 G L -1.2793 Soluble
149 T L -1.3015 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 -1.0049 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7566 Soluble
162 R L -2.9544 Soluble
163 E L -3.1535 Soluble
164 A L -2.3111 Soluble
165 K L -2.4141 Soluble
166 V L -1.1356 Soluble
167 Q L -0.5807 Soluble
168 W L 0.0000 Buried
169 K L -0.4622 Soluble
170 V L 0.0000 Buried
171 D L -1.8661 Soluble
172 N L -1.4601 Soluble
173 A L -0.1960 Soluble
174 L L 0.7792 Aggregation-prone
175 Q L -0.2109 Soluble
176 S L -0.5896 Soluble
177 G L -1.2029 Soluble
178 N L -1.4934 Soluble
179 S L -1.4206 Soluble
180 Q L -1.4376 Soluble
181 E L -1.9088 Soluble
182 S L -0.8102 Soluble
183 V L -0.8522 Soluble
184 T L -1.2178 Soluble
185 E L -2.3028 Soluble
186 Q L -1.9422 Soluble
187 D L -1.9631 Soluble
188 S L -1.6986 Soluble
189 K L -2.2513 Soluble
190 D L -1.7080 Soluble
191 S L 0.0000 Buried
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 -0.7193 Soluble
199 L L 0.0000 Buried
200 T L -0.6634 Soluble
201 L L -0.9266 Soluble
202 S L -1.2274 Soluble
203 K L -2.2094 Soluble
204 A L -2.0957 Soluble
205 D L -2.8819 Soluble
206 Y L 0.0000 Buried
207 E L -3.7480 Soluble
208 K L -3.7983 Soluble
209 H L -3.2013 Soluble
210 K L -3.3442 Soluble
211 V L -1.5027 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5727 Soluble
216 V L 0.0000 Buried
217 T L -1.1893 Soluble
218 H L 0.0000 Buried
219 Q L -1.7610 Soluble
220 G L -0.4748 Soluble
221 L L -0.1636 Soluble
222 S L -0.3983 Soluble
223 S L -0.3593 Soluble
224 P L -0.4797 Soluble
225 V L 0.2178 Aggregation-prone
226 T L -0.2594 Soluble
227 K L -0.5387 Soluble
228 S L -0.5347 Soluble
229 F L 0.0000 Buried
230 N L -2.0449 Soluble
231 R L -2.5724 Soluble
232 G L -2.1713 Soluble
233 E L -2.5561 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
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 -0.6942 2.7999 CSV PDB
4.5 -0.737 2.7999 CSV PDB
5.0 -0.7868 2.7999 CSV PDB
5.5 -0.8346 2.7999 CSV PDB
6.0 -0.8696 2.7999 CSV PDB
6.5 -0.8826 2.7999 CSV PDB
7.0 -0.8727 2.7999 CSV PDB
7.5 -0.8472 2.7998 CSV PDB
8.0 -0.8127 2.7995 CSV PDB
8.5 -0.7719 2.7987 CSV PDB
9.0 -0.7248 2.796 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH