Upanovimab / 7cyp

A4DAB283_7cyp_I_H | Source PDB: 7cyp | Chains: I, H | Done
96.95
Yes
10 Å
Yes
Avg A4D Score
-0.5233
Max Score
2.2345
Min Score
-3.3413
Total Score
-119.83
Score CDR
-0.0898
Score non-CDR
-0.6475

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILK input.pdb
Selected Chain(s) I (Heavy), H (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 -3.3413
Maximum Score 2.2345
Average Score -0.5233
Total Score -119.8346

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

Index Residue Chain A4D Score Classification
2 V I 1.1371 Aggregation-prone
3 K I -0.6301 Soluble
4 L I 0.0000 Buried
5 V I 0.0912 Aggregation-prone
6 E I -0.2410 Soluble
7 S I -0.4959 Soluble
8 G I -0.4742 Soluble
9 G I 0.2006 Aggregation-prone
11 G I 0.5878 Aggregation-prone
12 L I 1.4978 Aggregation-prone
13 V I 0.0920 Aggregation-prone
14 K I -1.7639 Soluble
15 P I -2.1909 Soluble
16 G I -1.6787 Soluble
17 G I -1.4835 Soluble
18 S I -1.6273 Soluble
19 L I -1.0454 Soluble
20 R I -2.0282 Soluble
21 L I 0.0000 Buried
22 S I -0.7485 Soluble
23 C I 0.0000 Buried
24 A I -0.4452 Soluble
25 A I -0.5756 Soluble
26 S I -0.2728 Soluble
27 G I -0.2618 Soluble
28 F I -0.0594 Soluble
29 T I -0.4675 Soluble
30 F I 0.0000 Buried
35 T I -1.2457 Soluble
36 N I -1.1629 Soluble
37 Y I -0.4826 Soluble
38 G I -0.3238 Soluble
39 M I 0.0000 Buried
40 S I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I -0.8167 Soluble
44 Q I -1.2501 Soluble
45 A I -1.5708 Soluble
46 P I -1.5249 Soluble
47 G I -1.8212 Soluble
48 K I -3.2586 Soluble
49 R I -3.3413 Soluble
50 L I 0.0000 Buried
51 E I -1.8530 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 E I 0.0000 Buried
56 I I 0.0000 Buried
57 S I -0.0825 Soluble
58 S I -0.5651 Soluble
59 G I -0.8881 Soluble
62 G I -0.5389 Soluble
63 S I -0.0008 Soluble
64 Y I 1.0044 Aggregation-prone
65 T I 0.7359 Aggregation-prone
66 Y I 1.0653 Aggregation-prone
67 Y I 0.3938 Aggregation-prone
68 P I 0.0000 Buried
69 D I -1.0812 Soluble
70 T I -0.0525 Soluble
71 V I 0.9016 Aggregation-prone
72 T I -0.4275 Soluble
74 G I -0.8097 Soluble
75 R I -1.8823 Soluble
76 F I 0.0000 Buried
77 T I -1.0634 Soluble
78 I I 0.0000 Buried
79 S I -0.6062 Soluble
80 R I -1.4122 Soluble
81 D I -2.0648 Soluble
82 N I -2.3745 Soluble
83 A I -1.7502 Soluble
84 K I -2.5170 Soluble
85 N I -1.9350 Soluble
86 T I 0.0000 Buried
87 L I 0.0000 Buried
88 Y I -0.6256 Soluble
89 L I 0.0000 Buried
90 Q I -1.6324 Soluble
91 M I 0.0000 Buried
92 N I -1.9069 Soluble
93 S I -1.4004 Soluble
94 L I 0.0000 Buried
95 R I -3.0654 Soluble
96 A I -2.1749 Soluble
97 E I -2.4636 Soluble
98 D I 0.0000 Buried
99 T I -0.4608 Soluble
100 A I 0.0000 Buried
101 V I 0.5813 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 F I -0.0773 Soluble
108 R I -0.3800 Soluble
109 Y I 0.3914 Aggregation-prone
110 G I -0.2451 Soluble
111 G I -0.5048 Soluble
112 G I -0.6384 Soluble
113 G I -0.2927 Soluble
114 T I 0.0000 Buried
115 V I 0.0000 Buried
116 D I -0.0638 Soluble
117 Y I 0.3732 Aggregation-prone
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.2174 Soluble
121 G I 0.0000 Buried
122 T I 0.0000 Buried
123 L I 1.3675 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.1639 Aggregation-prone
126 V I 0.0000 Buried
127 S I -0.9656 Soluble
128 S I -0.4189 Soluble
2 I H 0.5374 Aggregation-prone
3 V H 1.1682 Aggregation-prone
4 L H 0.0000 Buried
5 T H -0.7546 Soluble
6 Q H 0.0000 Buried
7 S H -0.6931 Soluble
8 P H -0.4442 Soluble
10 T H -0.3650 Soluble
11 L H -0.1282 Soluble
12 S H 0.0210 Aggregation-prone
13 L H -0.2988 Soluble
14 S H -0.6316 Soluble
15 P H -1.5175 Soluble
16 G H -1.5726 Soluble
17 E H -2.1221 Soluble
18 R H -2.4435 Soluble
19 A H 0.0000 Buried
20 T H -0.6567 Soluble
21 L H 0.0000 Buried
22 S H -0.8842 Soluble
23 C H 0.0000 Buried
24 R H -2.0576 Soluble
25 A H 0.0000 Buried
26 S H -0.7284 Soluble
27 E H -1.5571 Soluble
28 S H -0.3306 Soluble
29 V H 0.5208 Aggregation-prone
30 D H 0.0000 Buried
31 N H 0.8818 Aggregation-prone
34 Y H 1.6200 Aggregation-prone
35 G H 1.0953 Aggregation-prone
36 I H 2.2345 Aggregation-prone
37 S H 0.8590 Aggregation-prone
38 F H 0.3575 Aggregation-prone
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 F H 0.0000 Buried
43 Q H 0.0000 Buried
44 Q H -1.5104 Soluble
45 K H -1.8256 Soluble
46 P H -1.2715 Soluble
47 G H -1.4281 Soluble
48 Q H -2.2609 Soluble
49 A H -1.5179 Soluble
50 P H 0.0000 Buried
51 R H -1.4456 Soluble
52 L H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H -0.3560 Soluble
56 A H 0.0000 Buried
57 A H 0.0000 Buried
65 S H -0.8913 Soluble
66 N H -1.2140 Soluble
67 Q H -0.9243 Soluble
68 G H -0.8466 Soluble
69 S H -0.6224 Soluble
70 G H -0.6694 Soluble
71 I H -0.6210 Soluble
72 P H -0.4821 Soluble
74 S H -0.5685 Soluble
75 R H -1.0670 Soluble
76 F H -0.5574 Soluble
77 S H -0.7757 Soluble
78 G H -0.5945 Soluble
79 S H -0.7339 Soluble
80 G H -0.5587 Soluble
83 S H -0.3649 Soluble
84 G H 0.2113 Aggregation-prone
85 T H -0.8397 Soluble
86 D H -1.3097 Soluble
87 F H 0.0000 Buried
88 S H -0.7261 Soluble
89 L H 0.0000 Buried
90 T H -0.8296 Soluble
91 I H 0.0000 Buried
92 S H -1.7113 Soluble
93 S H -1.7328 Soluble
94 L H 0.0000 Buried
95 E H -2.0044 Soluble
96 P H -1.6927 Soluble
97 E H -2.3714 Soluble
98 D H -1.9470 Soluble
99 F H -1.0834 Soluble
100 A H 0.0000 Buried
101 V H -0.6992 Soluble
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 Q H 0.0000 Buried
106 Q H 0.0000 Buried
107 S H -0.8732 Soluble
108 K H -1.7714 Soluble
109 E H -1.4918 Soluble
114 V H 0.5687 Aggregation-prone
115 P H 0.1917 Aggregation-prone
116 R H -0.1925 Soluble
117 I H -0.0255 Soluble
118 F H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.8348 Soluble
121 G H -1.3194 Soluble
122 T H 0.0000 Buried
123 K H -0.6176 Soluble
124 V H 0.0000 Buried
125 E H -0.6528 Soluble
126 I H -0.4758 Soluble
127 L H 0.4501 Aggregation-prone
128 K H -0.9137 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 -0.6511 3.1497 CSV PDB
4.5 -0.6868 3.1497 CSV PDB
5.0 -0.7295 3.1497 CSV PDB
5.5 -0.7697 3.1497 CSV PDB
6.0 -0.7976 3.1497 CSV PDB
6.5 -0.806 3.1497 CSV PDB
7.0 -0.7943 3.1497 CSV PDB
7.5 -0.7691 3.1496 CSV PDB
8.0 -0.7369 3.1494 CSV PDB
8.5 -0.7006 3.1489 CSV PDB
9.0 -0.6612 3.1471 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH