Tixagevimab / 7tcc

A4DAB270_7tcc_J_K | Source PDB: 7tcc | Chains: J, K | Done
95.26
Yes
10 Å
Yes
Avg A4D Score
-0.7177
Max Score
1.1372
Min Score
-3.3382
Total Score
-165.06
Score CDR
-0.3792
Score non-CDR
-0.8141

Calculation Parameters

Chain Sequence(s) MQLVQSGPEVKKPGTSVKVSCKASGFTFTSSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSGGSCFDGFDIWGQGTMVTVSSEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGFPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGNSPWTFGQGTKVEIR input.pdb
Selected Chain(s) J (Heavy), K (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 -3.3382
Maximum Score 1.1372
Average Score -0.7177
Total Score -165.0633

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

Index Residue Chain A4D Score Classification
2 M J 0.5393 Aggregation-prone
3 Q J -0.9607 Soluble
4 L J 0.0000 Buried
5 V J -0.4638 Soluble
6 Q J 0.0000 Buried
7 S J -0.7682 Soluble
8 G J -0.7622 Soluble
9 P J -0.4214 Soluble
11 E J -0.6775 Soluble
12 V J 0.6554 Aggregation-prone
13 K J -1.2577 Soluble
14 K J -1.9932 Soluble
15 P J -1.6540 Soluble
16 G J -1.5085 Soluble
17 T J -0.8877 Soluble
18 S J -1.1584 Soluble
19 V J 0.0000 Buried
20 K J -1.9041 Soluble
21 V J 0.0000 Buried
22 S J 0.0000 Buried
23 C J 0.0000 Buried
24 K J -1.3074 Soluble
25 A J 0.0000 Buried
26 S J -0.4219 Soluble
27 G J -0.1464 Soluble
28 F J 0.1364 Aggregation-prone
29 T J -0.1050 Soluble
30 F J -0.0434 Soluble
35 T J -0.1573 Soluble
36 S J -0.4246 Soluble
37 S J -0.1699 Soluble
38 A J 0.0973 Aggregation-prone
39 V J 0.0000 Buried
40 Q J 0.0000 Buried
41 W J 0.0000 Buried
42 V J 0.0000 Buried
43 R J 0.0000 Buried
44 Q J -1.4173 Soluble
45 A J -1.7929 Soluble
46 R J -2.7507 Soluble
47 G J -2.2356 Soluble
48 Q J -2.7518 Soluble
49 R J -2.3861 Soluble
50 L J 0.0000 Buried
51 E J -1.2929 Soluble
52 W J 0.0000 Buried
53 I J 0.0000 Buried
54 G J 0.0000 Buried
55 W J 0.0767 Aggregation-prone
56 I J 0.0000 Buried
57 V J -0.2387 Soluble
58 V J 0.0000 Buried
59 G J -0.7353 Soluble
62 S J -1.0240 Soluble
63 G J -1.3467 Soluble
64 N J -1.6510 Soluble
65 T J -0.9181 Soluble
66 N J -0.9404 Soluble
67 Y J -1.3467 Soluble
68 A J -1.7553 Soluble
69 Q J -2.4644 Soluble
70 K J -2.9362 Soluble
71 F J 0.0000 Buried
72 Q J -2.9886 Soluble
74 E J -3.1104 Soluble
75 R J -2.0567 Soluble
76 V J 0.0000 Buried
77 T J -0.6488 Soluble
78 I J -0.4497 Soluble
79 T J -0.5678 Soluble
80 R J -1.4803 Soluble
81 D J -1.3885 Soluble
82 M J -0.3786 Soluble
83 S J -0.4318 Soluble
84 T J -0.4396 Soluble
85 S J -0.6633 Soluble
86 T J 0.0000 Buried
87 A J 0.0000 Buried
88 Y J -0.4820 Soluble
89 M J 0.0000 Buried
90 E J -0.9813 Soluble
91 L J 0.0000 Buried
92 S J -1.2960 Soluble
93 S J -1.2748 Soluble
94 L J -1.6932 Soluble
95 R J -2.6899 Soluble
96 S J -2.1728 Soluble
97 E J -2.6295 Soluble
98 D J -1.7602 Soluble
99 T J -1.0480 Soluble
100 A J 0.0000 Buried
101 V J 0.0000 Buried
102 Y J 0.0000 Buried
103 Y J -0.2463 Soluble
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 A J 0.0000 Buried
107 P J 0.0000 Buried
108 Y J 0.8332 Aggregation-prone
109 C J 0.0000 Buried
110 S J -0.3628 Soluble
111 G J -0.7994 Soluble
111A G J -0.7832 Soluble
112B S J -0.6736 Soluble
112A C J -0.2125 Soluble
112 F J -0.3478 Soluble
113 D J -1.2952 Soluble
114 G J 0.0000 Buried
115 F J -0.1045 Soluble
116 D J -0.0304 Soluble
117 I J 0.3046 Aggregation-prone
118 W J 0.0000 Buried
119 G J -0.7893 Soluble
120 Q J -1.4656 Soluble
121 G J -0.6171 Soluble
122 T J 0.0000 Buried
123 M J 0.5475 Aggregation-prone
124 V J 0.0000 Buried
125 T J -0.1903 Soluble
126 V J -1.0214 Soluble
127 S J -0.4992 Soluble
128 S J -0.6213 Soluble
1 E K -1.4533 Soluble
2 I K 0.5825 Aggregation-prone
3 V K 1.1372 Aggregation-prone
4 L K 0.0000 Buried
5 T K 0.1958 Aggregation-prone
6 Q K -0.3085 Soluble
7 S K -0.4557 Soluble
8 P K -0.3910 Soluble
9 G K -0.5831 Soluble
10 T K -0.6413 Soluble
11 L K -0.0854 Soluble
12 S K -0.4318 Soluble
13 L K 0.0000 Buried
14 S K -1.1017 Soluble
15 P K -1.8696 Soluble
16 G K -2.2064 Soluble
17 E K -2.0269 Soluble
18 R K -2.4363 Soluble
19 A K -1.0046 Soluble
20 T K -0.6250 Soluble
21 L K 0.0000 Buried
22 S K 0.0000 Buried
23 C K 0.0000 Buried
24 R K -0.6487 Soluble
25 A K -0.8100 Soluble
26 S K -0.8350 Soluble
27 Q K -1.6160 Soluble
28 S K -1.1298 Soluble
29 V K -0.6446 Soluble
30 S K -0.2620 Soluble
36 S K -0.1575 Soluble
37 S K 0.0790 Aggregation-prone
38 Y K 0.5785 Aggregation-prone
39 L K 0.0000 Buried
40 A K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K -0.5790 Soluble
44 Q K -1.0111 Soluble
45 K K -1.5372 Soluble
46 P K -1.4323 Soluble
47 G K -1.6305 Soluble
48 Q K -1.8665 Soluble
49 A K -1.1882 Soluble
50 P K 0.0000 Buried
51 R K -0.7854 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K 0.0397 Aggregation-prone
56 G K 0.0000 Buried
57 A K 0.0000 Buried
65 S K -0.3331 Soluble
66 S K -0.4660 Soluble
67 R K -0.5784 Soluble
68 A K -0.1696 Soluble
69 T K -0.2044 Soluble
70 G K -0.4611 Soluble
71 F K -0.2596 Soluble
72 P K -1.4436 Soluble
74 D K -2.6443 Soluble
75 R K -2.8459 Soluble
76 F K -1.4864 Soluble
77 S K -0.9504 Soluble
78 G K -0.3762 Soluble
79 S K -0.7421 Soluble
80 G K -0.9713 Soluble
83 S K -1.0489 Soluble
84 G K -1.1836 Soluble
85 T K -1.3035 Soluble
86 D K -1.4437 Soluble
87 F K 0.0000 Buried
88 T K -0.5815 Soluble
89 L K 0.0000 Buried
90 T K -0.7433 Soluble
91 I K 0.0000 Buried
92 S K -2.3026 Soluble
93 R K -3.3382 Soluble
94 L K 0.0000 Buried
95 E K -3.2386 Soluble
96 P K -2.5104 Soluble
97 E K -2.8361 Soluble
98 D K -2.6807 Soluble
99 F K -1.4753 Soluble
100 A K 0.0000 Buried
101 V K 0.0000 Buried
102 Y K -0.4281 Soluble
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 Q K -0.0966 Soluble
107 Y K 0.0030 Aggregation-prone
108 G K -0.7359 Soluble
109 N K -1.6083 Soluble
114 S K -1.2434 Soluble
115 P K -0.9412 Soluble
116 W K -0.5932 Soluble
117 T K -0.4410 Soluble
118 F K 0.0000 Buried
119 G K 0.0000 Buried
120 Q K -0.6686 Soluble
121 G K -0.9651 Soluble
122 T K 0.0000 Buried
123 K K -1.6005 Soluble
124 V K -1.0401 Soluble
125 E K -1.3852 Soluble
126 I K 0.3249 Aggregation-prone
127 R K -1.2048 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 -0.689 1.9615 CSV PDB
4.5 -0.7356 1.8877 CSV PDB
5.0 -0.7932 1.7871 CSV PDB
5.5 -0.8522 1.6775 CSV PDB
6.0 -0.9027 1.5775 CSV PDB
6.5 -0.9362 1.5072 CSV PDB
7.0 -0.9502 1.4768 CSV PDB
7.5 -0.9496 1.4765 CSV PDB
8.0 -0.9404 1.4907 CSV PDB
8.5 -0.9254 1.5102 CSV PDB
9.0 -0.905 1.5314 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH