Upanovimab / 7cwt

A4DAB283_7cwt_E_D | Source PDB: 7cwt | Chains: E, D | Done
96.94
Yes
10 Å
Yes
Avg A4D Score
-0.5439
Max Score
2.2637
Min Score
-3.1137
Total Score
-124.55
Score CDR
-0.1416
Score non-CDR
-0.6591

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILKR input.pdb
Selected Chain(s) E (Heavy), D (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 -3.1137
Maximum Score 2.2637
Average Score -0.5439
Total Score -124.5466

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

Index Residue Chain A4D Score Classification
2 V E 0.3838 Aggregation-prone
3 K E -0.8798 Soluble
4 L E 0.0000 Buried
5 V E 0.9600 Aggregation-prone
6 E E 0.2551 Aggregation-prone
7 S E -0.1343 Soluble
8 G E -0.1920 Soluble
9 G E 0.2304 Aggregation-prone
11 G E 0.7196 Aggregation-prone
12 L E 1.4668 Aggregation-prone
13 V E 0.1731 Aggregation-prone
14 K E -1.6104 Soluble
15 P E -2.0957 Soluble
16 G E -1.5840 Soluble
17 G E -1.4594 Soluble
18 S E -1.7501 Soluble
19 L E -1.2431 Soluble
20 R E -1.9683 Soluble
21 L E 0.0000 Buried
22 S E -0.2826 Soluble
23 C E 0.0000 Buried
24 A E -0.1762 Soluble
25 A E -0.4803 Soluble
26 S E -0.2633 Soluble
27 G E -0.4759 Soluble
28 F E -0.2527 Soluble
29 T E -0.5735 Soluble
30 F E 0.0000 Buried
35 T E -1.3639 Soluble
36 N E -1.4084 Soluble
37 Y E 0.0000 Buried
38 G E -0.3281 Soluble
39 M E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E -0.4306 Soluble
44 Q E -0.5800 Soluble
45 A E -0.8990 Soluble
46 P E -0.9810 Soluble
47 G E -1.3564 Soluble
48 K E -1.9171 Soluble
49 R E -1.8028 Soluble
50 L E 0.0000 Buried
51 E E -0.8573 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 E E 0.0000 Buried
56 I E 0.0000 Buried
57 S E -0.1013 Soluble
58 S E -0.7854 Soluble
59 G E -0.8914 Soluble
62 G E -0.4842 Soluble
63 S E 0.0526 Aggregation-prone
64 Y E 1.1343 Aggregation-prone
65 T E 0.7063 Aggregation-prone
66 Y E 0.8402 Aggregation-prone
67 Y E 0.4031 Aggregation-prone
68 P E 0.0000 Buried
69 D E -1.0262 Soluble
70 T E -0.0407 Soluble
71 V E 1.0664 Aggregation-prone
72 T E -0.1628 Soluble
74 G E -0.8949 Soluble
75 R E -1.4024 Soluble
76 F E 0.0000 Buried
77 T E -0.8757 Soluble
78 I E 0.0000 Buried
79 S E -0.4718 Soluble
80 R E -1.3975 Soluble
81 D E -1.9913 Soluble
82 N E -2.4623 Soluble
83 A E -1.7185 Soluble
84 K E -2.4959 Soluble
85 N E -1.9927 Soluble
86 T E 0.0000 Buried
87 L E 0.0000 Buried
88 Y E -0.5566 Soluble
89 L E 0.0000 Buried
90 Q E -1.7090 Soluble
91 M E 0.0000 Buried
92 N E -2.2820 Soluble
93 S E -1.6337 Soluble
94 L E 0.0000 Buried
95 R E -3.1137 Soluble
96 A E -2.0656 Soluble
97 E E -2.5602 Soluble
98 D E -1.7574 Soluble
99 T E -0.6668 Soluble
100 A E 0.0000 Buried
101 V E 0.2308 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E 0.0000 Buried
107 F E -0.1231 Soluble
108 R E -0.3951 Soluble
109 Y E 0.3628 Aggregation-prone
110 G E -0.2821 Soluble
111 G E -0.5349 Soluble
112 G E -0.5392 Soluble
113 G E -0.5514 Soluble
114 T E 0.0000 Buried
115 V E 0.0000 Buried
116 D E 0.0491 Aggregation-prone
117 Y E 0.1829 Aggregation-prone
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.1353 Soluble
121 G E -0.4054 Soluble
122 T E 0.0000 Buried
123 L E 1.2227 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.0776 Aggregation-prone
126 V E 0.0000 Buried
127 S E -0.9342 Soluble
2 I D 0.0000 Buried
3 V D 0.8253 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.8753 Soluble
6 Q D 0.0000 Buried
7 S D -0.7515 Soluble
8 P D -0.5523 Soluble
10 T D -0.5623 Soluble
11 L D -0.4544 Soluble
12 S D -0.3445 Soluble
13 L D -0.5838 Soluble
14 S D -1.0664 Soluble
15 P D -1.5092 Soluble
16 G D -1.5716 Soluble
17 E D -2.2645 Soluble
18 R D -2.6033 Soluble
19 A D 0.0000 Buried
20 T D -0.6789 Soluble
21 L D 0.0000 Buried
22 S D -0.8138 Soluble
23 C D 0.0000 Buried
24 R D -2.0004 Soluble
25 A D 0.0000 Buried
26 S D -0.6642 Soluble
27 E D -1.6380 Soluble
28 S D -0.5149 Soluble
29 V D 0.8857 Aggregation-prone
30 D D 0.1675 Aggregation-prone
31 N D 0.9037 Aggregation-prone
34 Y D 1.7011 Aggregation-prone
35 G D 1.0547 Aggregation-prone
36 I D 2.2637 Aggregation-prone
37 S D 0.7920 Aggregation-prone
38 F D 0.3644 Aggregation-prone
39 M D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 F D 0.0000 Buried
43 Q D -0.9733 Soluble
44 Q D -1.5550 Soluble
45 K D -2.4181 Soluble
46 P D -1.5000 Soluble
47 G D -1.4189 Soluble
48 Q D -2.0922 Soluble
49 A D -1.4701 Soluble
50 P D 0.0000 Buried
51 R D -1.2672 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.5891 Soluble
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D -1.0349 Soluble
66 N D -1.5784 Soluble
67 Q D -1.3493 Soluble
68 G D -1.0329 Soluble
69 S D -0.7213 Soluble
70 G D -0.8860 Soluble
71 I D 0.0000 Buried
72 P D -0.6912 Soluble
74 S D -0.7505 Soluble
75 R D -1.0817 Soluble
76 F D 0.0000 Buried
77 S D -0.8949 Soluble
78 G D -0.7550 Soluble
79 S D -0.7376 Soluble
80 G D -0.7030 Soluble
83 S D -0.3805 Soluble
84 G D 0.0266 Aggregation-prone
85 T D -0.6744 Soluble
86 D D -1.1110 Soluble
87 F D 0.0000 Buried
88 S D -0.6549 Soluble
89 L D 0.0000 Buried
90 T D -0.9048 Soluble
91 I D 0.0000 Buried
92 S D -1.8838 Soluble
93 S D -1.6491 Soluble
94 L D 0.0000 Buried
95 E D -1.6324 Soluble
96 P D -1.7771 Soluble
97 E D -2.1169 Soluble
98 D D -1.5996 Soluble
99 F D -1.2477 Soluble
100 A D 0.0000 Buried
101 V D -0.7496 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D 0.0000 Buried
108 K D -2.2565 Soluble
109 E D -2.0775 Soluble
114 V D -0.1601 Soluble
115 P D -0.3096 Soluble
116 R D -0.7580 Soluble
117 I D 0.0000 Buried
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6257 Soluble
121 G D -1.0428 Soluble
122 T D 0.0000 Buried
123 K D -1.0997 Soluble
124 V D 0.0000 Buried
125 E D -1.2982 Soluble
126 I D 0.0000 Buried
127 L D -0.2902 Soluble
128 K D -1.8553 Soluble
129 R D -2.1567 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.6855 3.1414 CSV PDB
4.5 -0.7178 3.1317 CSV PDB
5.0 -0.7561 3.1211 CSV PDB
5.5 -0.791 3.1101 CSV PDB
6.0 -0.8131 3.099 CSV PDB
6.5 -0.8163 3.0879 CSV PDB
7.0 -0.8009 3.0769 CSV PDB
7.5 -0.7731 3.066 CSV PDB
8.0 -0.7389 3.0557 CSV PDB
8.5 -0.7012 3.0467 CSV PDB
9.0 -0.661 3.0394 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH