Upanovimab / 7cyh

A4DAB283_7cyh_E_D | Source PDB: 7cyh | Chains: E, D | Done
96.95
Yes
10 Å
Yes
Avg A4D Score
-0.5401
Max Score
2.1815
Min Score
-3.0034
Total Score
-123.67
Score CDR
-0.2079
Score non-CDR
-0.6352

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILK 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 -3.0034
Maximum Score 2.1815
Average Score -0.5401
Total Score -123.6724

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

Index Residue Chain A4D Score Classification
2 V E 1.1113 Aggregation-prone
3 K E -0.3939 Soluble
4 L E 0.3587 Aggregation-prone
5 V E 0.9881 Aggregation-prone
6 E E 0.2239 Aggregation-prone
7 S E -0.2120 Soluble
8 G E -0.3031 Soluble
9 G E 0.1875 Aggregation-prone
11 G E 0.8207 Aggregation-prone
12 L E 1.3848 Aggregation-prone
13 V E -0.0920 Soluble
14 K E -1.7618 Soluble
15 P E -2.0064 Soluble
16 G E -1.7074 Soluble
17 G E -1.2369 Soluble
18 S E -1.4059 Soluble
19 L E -0.5727 Soluble
20 R E -1.7715 Soluble
21 L E -0.8810 Soluble
22 S E -0.3034 Soluble
23 C E 0.0000 Buried
24 A E -0.0862 Soluble
25 A E 0.0000 Buried
26 S E -0.4749 Soluble
27 G E -0.4659 Soluble
28 F E -0.0623 Soluble
29 T E -0.3971 Soluble
30 F E 0.0000 Buried
35 T E -1.0232 Soluble
36 N E -1.1862 Soluble
37 Y E -0.6031 Soluble
38 G E -0.4080 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 -0.5346 Soluble
44 Q E -0.8788 Soluble
45 A E -1.3657 Soluble
46 P E -1.4129 Soluble
47 G E -1.7303 Soluble
48 K E -2.7190 Soluble
49 R E -2.2296 Soluble
50 L E 0.0000 Buried
51 E E -0.8693 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 E E 0.4644 Aggregation-prone
56 I E 0.0000 Buried
57 S E 0.0813 Aggregation-prone
58 S E -0.6618 Soluble
59 G E -0.9259 Soluble
62 G E -0.6141 Soluble
63 S E 0.1386 Aggregation-prone
64 Y E 1.3269 Aggregation-prone
65 T E 1.0770 Aggregation-prone
66 Y E 1.4999 Aggregation-prone
67 Y E 0.4321 Aggregation-prone
68 P E 0.0000 Buried
69 D E -1.1311 Soluble
70 T E -0.0366 Soluble
71 V E 0.8396 Aggregation-prone
72 T E -0.4564 Soluble
74 G E -1.4215 Soluble
75 R E -2.0558 Soluble
76 F E 0.0000 Buried
77 T E -1.0523 Soluble
78 I E 0.0000 Buried
79 S E -0.5491 Soluble
80 R E -1.3261 Soluble
81 D E -1.9132 Soluble
82 N E -1.8693 Soluble
83 A E -1.3646 Soluble
84 K E -2.3103 Soluble
85 N E -1.6039 Soluble
86 T E -1.0682 Soluble
87 L E 0.0000 Buried
88 Y E -0.6357 Soluble
89 L E 0.0000 Buried
90 Q E -1.6350 Soluble
91 M E 0.0000 Buried
92 N E -1.8131 Soluble
93 S E -1.6008 Soluble
94 L E 0.0000 Buried
95 R E -3.0034 Soluble
96 A E -2.1591 Soluble
97 E E -2.4763 Soluble
98 D E -1.7757 Soluble
99 T E -0.6494 Soluble
100 A E 0.0000 Buried
101 V E 0.4179 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 -0.5584 Soluble
108 R E -1.3666 Soluble
109 Y E -0.0419 Soluble
110 G E -0.5466 Soluble
111 G E -0.7511 Soluble
112 G E -0.5554 Soluble
113 G E -0.7912 Soluble
114 T E 0.0000 Buried
115 V E 0.0000 Buried
116 D E -0.1582 Soluble
117 Y E 0.3858 Aggregation-prone
118 W E 0.1631 Aggregation-prone
119 G E 0.0000 Buried
120 Q E -1.0416 Soluble
121 G E -0.4032 Soluble
122 T E 0.1932 Aggregation-prone
123 L E 1.5188 Aggregation-prone
124 V E 0.8119 Aggregation-prone
125 T E 0.2257 Aggregation-prone
126 V E 0.0000 Buried
127 S E -0.7245 Soluble
128 S E -0.6058 Soluble
2 I D 0.9309 Aggregation-prone
3 V D 1.3828 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.9331 Soluble
6 Q D 0.0000 Buried
7 S D -0.8270 Soluble
8 P D -0.6522 Soluble
10 T D -0.5951 Soluble
11 L D -0.3157 Soluble
12 S D -0.4293 Soluble
13 L D -0.6058 Soluble
14 S D -1.0619 Soluble
15 P D -1.7604 Soluble
16 G D -2.0071 Soluble
17 E D -2.6117 Soluble
18 R D -2.7168 Soluble
19 A D 0.0000 Buried
20 T D -0.6658 Soluble
21 L D 0.0000 Buried
22 S D -0.8020 Soluble
23 C D 0.0000 Buried
24 R D -1.9703 Soluble
25 A D 0.0000 Buried
26 S D -0.5258 Soluble
27 E D -1.3013 Soluble
28 S D -0.3264 Soluble
29 V D 0.6464 Aggregation-prone
30 D D -0.0819 Soluble
31 N D 0.0002 Aggregation-prone
34 Y D 1.4974 Aggregation-prone
35 G D 0.7333 Aggregation-prone
36 I D 2.1815 Aggregation-prone
37 S D 0.6393 Aggregation-prone
38 F D 0.0000 Buried
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 0.0000 Buried
44 Q D -1.1160 Soluble
45 K D -1.4528 Soluble
46 P D -1.0508 Soluble
47 G D -1.2935 Soluble
48 Q D -1.6445 Soluble
49 A D -1.2109 Soluble
50 P D 0.0000 Buried
51 R D -1.0641 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.5110 Soluble
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D -1.0733 Soluble
66 N D -1.7136 Soluble
67 Q D -1.5367 Soluble
68 G D -1.1443 Soluble
69 S D -0.6972 Soluble
70 G D -0.6662 Soluble
71 I D -0.5493 Soluble
72 P D -0.6317 Soluble
74 S D -0.7945 Soluble
75 R D -1.1221 Soluble
76 F D 0.0000 Buried
77 S D -1.0028 Soluble
78 G D -0.6675 Soluble
79 S D -0.7360 Soluble
80 G D -0.5186 Soluble
83 S D -0.1161 Soluble
84 G D -0.5066 Soluble
85 T D -0.9838 Soluble
86 D D -1.3661 Soluble
87 F D 0.0000 Buried
88 S D -0.7079 Soluble
89 L D 0.0000 Buried
90 T D -0.9367 Soluble
91 I D 0.0000 Buried
92 S D -1.8752 Soluble
93 S D -1.9487 Soluble
94 L D 0.0000 Buried
95 E D -2.7845 Soluble
96 P D -1.9451 Soluble
97 E D -2.6382 Soluble
98 D D -1.6928 Soluble
99 F D -1.2084 Soluble
100 A D 0.0000 Buried
101 V D 0.0000 Buried
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 -2.4642 Soluble
109 E D -2.2431 Soluble
114 V D -0.2913 Soluble
115 P D -0.2312 Soluble
116 R D -0.4267 Soluble
117 I D 0.2469 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.8803 Soluble
121 G D -1.5122 Soluble
122 T D 0.0000 Buried
123 K D -1.8614 Soluble
124 V D 0.0000 Buried
125 E D -1.1581 Soluble
126 I D -0.3732 Soluble
127 L D 0.5831 Aggregation-prone
128 K D -0.8783 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 -0.5874 3.0349 CSV PDB
4.5 -0.6272 3.0228 CSV PDB
5.0 -0.6759 3.0096 CSV PDB
5.5 -0.7231 2.996 CSV PDB
6.0 -0.7582 2.9823 CSV PDB
6.5 -0.773 2.9685 CSV PDB
7.0 -0.7662 2.9548 CSV PDB
7.5 -0.7447 2.9414 CSV PDB
8.0 -0.7155 2.9287 CSV PDB
8.5 -0.682 2.9177 CSV PDB
9.0 -0.645 2.9087 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH