Tixagevimab / 8d8q

A4DAB270_8d8q_C_B | Source PDB: 8d8q | Chains: C, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6892
Max Score
1.8105
Min Score
-3.4882
Total Score
-159.2
Score CDR
-0.2495
Score non-CDR
-0.8169

Calculation Parameters

Chain Sequence(s) QMQLVQSGPEVKKPGTSVKVSCKASGFTFMSSAVQWVRQARGQRLEWIGWIVIGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSSISCNDGFDIWGQGTMVTVSEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQHYGSSRGWTFGQGTKVEIK input.pdb
Selected Chain(s) C (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 -3.4882
Maximum Score 1.8105
Average Score -0.6892
Total Score -159.204

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

Index Residue Chain A4D Score Classification
1 Q C -1.4969 Soluble
2 M C 0.0000 Buried
3 Q C -1.2548 Soluble
4 L C 0.0000 Buried
5 V C 0.4752 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.6988 Soluble
8 G C -0.8457 Soluble
9 P C -0.6660 Soluble
11 E C -0.8626 Soluble
12 V C 0.5677 Aggregation-prone
13 K C -1.0079 Soluble
14 K C -2.1085 Soluble
15 P C -2.0955 Soluble
16 G C -1.6116 Soluble
17 T C -1.2762 Soluble
18 S C -1.4764 Soluble
19 V C 0.0000 Buried
20 K C -2.1955 Soluble
21 V C 0.0000 Buried
22 S C -0.6374 Soluble
23 C C 0.0000 Buried
24 K C -0.9013 Soluble
25 A C 0.0000 Buried
26 S C -0.7819 Soluble
27 G C -0.9364 Soluble
28 F C -0.1941 Soluble
29 T C 0.3584 Aggregation-prone
30 F C 0.0000 Buried
35 M C 0.4095 Aggregation-prone
36 S C 0.3229 Aggregation-prone
37 S C 0.0000 Buried
38 A C 0.1288 Aggregation-prone
39 V C 0.0000 Buried
40 Q C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.6697 Soluble
44 Q C 0.0000 Buried
45 A C -1.8775 Soluble
46 R C -2.6756 Soluble
47 G C -2.1507 Soluble
48 Q C -2.6447 Soluble
49 R C -2.1723 Soluble
50 L C 0.0000 Buried
51 E C -0.7632 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 W C -0.2211 Soluble
56 I C 0.0000 Buried
57 V C -0.2027 Soluble
58 I C 0.0000 Buried
59 G C -0.4873 Soluble
62 S C -0.7885 Soluble
63 G C -0.9840 Soluble
64 N C -1.4501 Soluble
65 T C -0.8895 Soluble
66 N C -1.1743 Soluble
67 Y C -1.4372 Soluble
68 A C -2.2333 Soluble
69 Q C -3.1797 Soluble
70 K C -2.8292 Soluble
71 F C 0.0000 Buried
72 Q C -2.9446 Soluble
74 E C -2.8648 Soluble
75 R C -2.1861 Soluble
76 V C 0.0000 Buried
77 T C -1.1193 Soluble
78 I C 0.0000 Buried
79 T C -0.5650 Soluble
80 R C -0.9309 Soluble
81 D C -0.9775 Soluble
82 M C -0.1960 Soluble
83 S C -0.2983 Soluble
84 T C -0.5199 Soluble
85 S C -0.4798 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.8102 Soluble
89 M C 0.0000 Buried
90 E C -1.6868 Soluble
91 L C 0.0000 Buried
92 S C -1.4297 Soluble
93 S C -1.2295 Soluble
94 L C 0.0000 Buried
95 R C -3.1418 Soluble
96 S C -2.4263 Soluble
97 E C -2.5883 Soluble
98 D C 0.0000 Buried
99 T C -1.0906 Soluble
100 A C 0.0000 Buried
101 V C 0.0000 Buried
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 A C 0.0000 Buried
107 P C -0.1831 Soluble
108 Y C 0.0339 Aggregation-prone
109 C C 0.0000 Buried
110 S C 0.5839 Aggregation-prone
111 S C 0.7655 Aggregation-prone
111A I C 1.8105 Aggregation-prone
112B S C 0.6194 Aggregation-prone
112A C C 0.1475 Aggregation-prone
112 N C -0.9415 Soluble
113 D C -1.7893 Soluble
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.7442 Soluble
117 I C -0.4261 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.3117 Soluble
121 G C -0.7380 Soluble
122 T C 0.0000 Buried
123 M C -0.2093 Soluble
124 V C 0.0000 Buried
125 T C -0.5363 Soluble
126 V C 0.0000 Buried
127 S C -1.2027 Soluble
1 E B -1.8044 Soluble
2 I B -0.0527 Soluble
3 V B 0.8291 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.8457 Soluble
6 Q B 0.0000 Buried
7 S B -1.0197 Soluble
8 P B -0.6682 Soluble
9 G B -0.8906 Soluble
10 T B -0.6933 Soluble
11 L B -0.4205 Soluble
12 S B -0.4455 Soluble
13 L B -0.6866 Soluble
14 S B -1.2421 Soluble
15 P B -1.8189 Soluble
16 G B -2.2163 Soluble
17 E B -2.9551 Soluble
18 R B -3.3718 Soluble
19 A B 0.0000 Buried
20 T B -0.6994 Soluble
21 L B 0.0000 Buried
22 S B -0.8907 Soluble
23 C B 0.0000 Buried
24 R B -2.2758 Soluble
25 A B -0.9473 Soluble
26 S B -0.6731 Soluble
27 Q B -1.0185 Soluble
28 S B -0.7134 Soluble
29 V B 0.7202 Aggregation-prone
30 S B 0.2416 Aggregation-prone
36 S B -0.1860 Soluble
37 S B -0.0930 Soluble
38 Y B 0.3161 Aggregation-prone
39 L B 0.0000 Buried
40 A 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 -1.2627 Soluble
46 P B -1.2514 Soluble
47 G B -1.6132 Soluble
48 Q B -2.0645 Soluble
49 A B -1.4327 Soluble
50 P B 0.0000 Buried
51 R B -1.6412 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.6996 Soluble
56 G B -0.6410 Soluble
57 A B 0.0000 Buried
65 S B -0.7260 Soluble
66 S B -1.0270 Soluble
67 R B -1.6864 Soluble
68 A B 0.0000 Buried
69 T B -0.6695 Soluble
70 G B -0.8456 Soluble
71 I B -0.9286 Soluble
72 P B -1.2900 Soluble
74 D B -2.2083 Soluble
75 R B -1.9582 Soluble
76 F B 0.0000 Buried
77 S B -0.8851 Soluble
78 G B -0.5684 Soluble
79 S B -0.6585 Soluble
80 G B -0.9938 Soluble
83 S B -0.8609 Soluble
84 G B -1.0832 Soluble
85 T B -1.5251 Soluble
86 D B -2.1612 Soluble
87 F B 0.0000 Buried
88 T B -0.7871 Soluble
89 L B 0.0000 Buried
90 T B -0.7440 Soluble
91 I B 0.0000 Buried
92 S B -2.3669 Soluble
93 R B -3.4882 Soluble
94 L B 0.0000 Buried
95 E B -2.8472 Soluble
96 P B -1.4732 Soluble
97 E B -2.4086 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 V B -0.2545 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 H B 0.0000 Buried
107 Y B 0.0000 Buried
108 G B -0.1245 Soluble
109 S B -0.4817 Soluble
113 S B -1.2385 Soluble
114 R B -2.4724 Soluble
115 G B -1.3958 Soluble
116 W B 0.0000 Buried
117 T B -0.3266 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.5517 Soluble
121 G B -1.2571 Soluble
122 T B 0.0000 Buried
123 K B -0.9504 Soluble
124 V B 0.0000 Buried
125 E B -0.3989 Soluble
126 I B 0.7299 Aggregation-prone
127 K B -0.9404 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 -0.7915 1.8664 CSV PDB
4.5 -0.8285 1.7683 CSV PDB
5.0 -0.8749 1.7594 CSV PDB
5.5 -0.922 1.7594 CSV PDB
6.0 -0.9607 1.7594 CSV PDB
6.5 -0.9838 1.7594 CSV PDB
7.0 -0.9893 1.7594 CSV PDB
7.5 -0.9816 1.7594 CSV PDB
8.0 -0.9665 1.9578 CSV PDB
8.5 -0.9467 2.1978 CSV PDB
9.0 -0.9228 2.4362 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH