Tixagevimab / 8d8r

A4DAB270_8d8r_H_L | Source PDB: 8d8r | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7015
Max Score
2.05
Min Score
-3.5513
Total Score
-162.04
Score CDR
-0.23
Score non-CDR
-0.8385

Calculation Parameters

Chain Sequence(s) QMQLVQSGPEVKKPGTSVKVSCKASGFTFMSSAVQWVRQARGQRLEWIGWIVIGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSSISCNDGFDIWGQGTMVTVSEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQHYGSSRGWTFGQGTKVEIK 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 -3.5513
Maximum Score 2.05
Average Score -0.7015
Total Score -162.0446

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

Index Residue Chain A4D Score Classification
1 Q H -1.5007 Soluble
2 M H 0.0000 Buried
3 Q H -1.0715 Soluble
4 L H 0.0000 Buried
5 V H 0.5347 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6724 Soluble
8 G H -0.8168 Soluble
9 P H -0.5307 Soluble
11 E H -0.7116 Soluble
12 V H 0.5636 Aggregation-prone
13 K H -1.1362 Soluble
14 K H -2.1836 Soluble
15 P H -2.0827 Soluble
16 G H -1.6075 Soluble
17 T H -1.3194 Soluble
18 S H -1.6339 Soluble
19 V H 0.0000 Buried
20 K H -2.1090 Soluble
21 V H 0.0000 Buried
22 S H -0.5872 Soluble
23 C H 0.0000 Buried
24 K H -0.8332 Soluble
25 A H 0.0000 Buried
26 S H -0.7368 Soluble
27 G H -0.8676 Soluble
28 F H -0.1728 Soluble
29 T H 0.2332 Aggregation-prone
30 F H 0.0000 Buried
35 M H 0.9539 Aggregation-prone
36 S H 0.9046 Aggregation-prone
37 S H 0.3921 Aggregation-prone
38 A H 0.1152 Aggregation-prone
39 V H 0.0000 Buried
40 Q 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 -1.2906 Soluble
45 A H -1.9454 Soluble
46 R H -2.6520 Soluble
47 G H -2.2587 Soluble
48 Q H -2.8374 Soluble
49 R H -2.5572 Soluble
50 L H 0.0000 Buried
51 E H -1.0297 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.2438 Soluble
56 I H 0.0000 Buried
57 V H -0.1862 Soluble
58 I H 0.0000 Buried
59 G H -0.5696 Soluble
62 S H -0.7484 Soluble
63 G H -1.1873 Soluble
64 N H -1.4488 Soluble
65 T H -0.7427 Soluble
66 N H -1.1339 Soluble
67 Y H -1.7472 Soluble
68 A H -2.3247 Soluble
69 Q H -3.2242 Soluble
70 K H -3.0123 Soluble
71 F H 0.0000 Buried
72 Q H -3.1836 Soluble
74 E H -3.4984 Soluble
75 R H -3.5513 Soluble
76 V H 0.0000 Buried
77 T H -1.3020 Soluble
78 I H 0.0000 Buried
79 T H -0.5940 Soluble
80 R H -0.9844 Soluble
81 D H -1.0946 Soluble
82 M H -0.2579 Soluble
83 S H -0.4081 Soluble
84 T H -0.5922 Soluble
85 S H -0.4625 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7453 Soluble
89 M H 0.0000 Buried
90 E H -1.6078 Soluble
91 L H 0.0000 Buried
92 S H -1.8665 Soluble
93 S H -1.6890 Soluble
94 L H 0.0000 Buried
95 R H -2.7873 Soluble
96 S H -2.2558 Soluble
97 E H -2.4713 Soluble
98 D H 0.0000 Buried
99 T H -1.0142 Soluble
100 A H 0.0000 Buried
101 V H -0.3063 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 A H 0.0000 Buried
107 P H -0.4160 Soluble
108 Y H 0.1539 Aggregation-prone
109 C H 0.3932 Aggregation-prone
110 S H 0.4563 Aggregation-prone
111 S H 0.9306 Aggregation-prone
111A I H 2.0500 Aggregation-prone
112B S H 0.9139 Aggregation-prone
112A C H 0.7670 Aggregation-prone
112 N H -0.5661 Soluble
113 D H -1.7206 Soluble
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -1.1617 Soluble
117 I H -0.5686 Soluble
118 W H -0.5808 Soluble
119 G H 0.0000 Buried
120 Q H -1.2453 Soluble
121 G H -0.6684 Soluble
122 T H 0.0000 Buried
123 M H -0.0920 Soluble
124 V H 0.0000 Buried
125 T H -0.4632 Soluble
126 V H 0.0000 Buried
127 S H -1.2215 Soluble
1 E L -1.8665 Soluble
2 I L -0.2601 Soluble
3 V L 0.8427 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6767 Soluble
6 Q L 0.0000 Buried
7 S L -0.9866 Soluble
8 P L -0.6826 Soluble
9 G L -0.9486 Soluble
10 T L -0.8185 Soluble
11 L L -0.5197 Soluble
12 S L -0.4970 Soluble
13 L L -0.7561 Soluble
14 S L -1.3202 Soluble
15 P L -1.7619 Soluble
16 G L -2.1986 Soluble
17 E L -3.1088 Soluble
18 R L -3.4049 Soluble
19 A L 0.0000 Buried
20 T L -0.6986 Soluble
21 L L 0.0000 Buried
22 S L -0.8860 Soluble
23 C L 0.0000 Buried
24 R L -2.2863 Soluble
25 A L 0.0000 Buried
26 S L -0.7491 Soluble
27 Q L -1.1856 Soluble
28 S L -1.0650 Soluble
29 V L 0.0000 Buried
30 S L -0.5317 Soluble
36 S L -0.4438 Soluble
37 S L -0.3318 Soluble
38 Y L 0.0870 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 -1.4118 Soluble
46 P L -1.2892 Soluble
47 G L -1.4236 Soluble
48 Q L -2.0724 Soluble
49 A L -1.4082 Soluble
50 P L 0.0000 Buried
51 R L -1.7414 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.5330 Soluble
56 G L -0.4402 Soluble
57 A L 0.0000 Buried
65 S L -0.5976 Soluble
66 S L -0.7566 Soluble
67 R L -1.6181 Soluble
68 A L 0.0000 Buried
69 T L -0.7122 Soluble
70 G L -0.8241 Soluble
71 I L -0.8975 Soluble
72 P L -1.2852 Soluble
74 D L -2.2146 Soluble
75 R L -2.1065 Soluble
76 F L 0.0000 Buried
77 S L -0.8473 Soluble
78 G L 0.0000 Buried
79 S L -0.6456 Soluble
80 G L -1.1855 Soluble
83 S L -1.1807 Soluble
84 G L -1.2774 Soluble
85 T L -1.6462 Soluble
86 D L -1.9183 Soluble
87 F L 0.0000 Buried
88 T L -0.7782 Soluble
89 L L 0.0000 Buried
90 T L -0.7499 Soluble
91 I L 0.0000 Buried
92 S L -2.3592 Soluble
93 R L -3.4698 Soluble
94 L L 0.0000 Buried
95 E L -2.6711 Soluble
96 P L -1.4357 Soluble
97 E L -2.3593 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.4726 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 H L 0.0000 Buried
107 Y L 0.0000 Buried
108 G L -0.6766 Soluble
109 S L -0.7086 Soluble
113 S L -1.2884 Soluble
114 R L -2.4209 Soluble
115 G L 0.0000 Buried
116 W L 0.0000 Buried
117 T L -0.2631 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4529 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2158 Soluble
124 V L 0.0000 Buried
125 E L -0.5188 Soluble
126 I L 0.6953 Aggregation-prone
127 K L -1.0826 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.8362 2.4031 CSV PDB
4.5 -0.8729 2.4031 CSV PDB
5.0 -0.9183 2.4031 CSV PDB
5.5 -0.9639 2.4031 CSV PDB
6.0 -1.0006 2.4031 CSV PDB
6.5 -1.0214 2.4031 CSV PDB
7.0 -1.0246 2.4031 CSV PDB
7.5 -1.0144 2.4031 CSV PDB
8.0 -0.9964 2.4031 CSV PDB
8.5 -0.9732 2.4031 CSV PDB
9.0 -0.9457 2.4284 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH