Upanovimab / 7e5s

A4DAB283_7e5s_R_O | Source PDB: 7e5s | Chains: R, O | Done
96.99
Yes
10 Å
Yes
Avg A4D Score
-0.5026
Max Score
2.3167
Min Score
-2.7249
Total Score
-115.09
Score CDR
-0.0074
Score non-CDR
-0.6444

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILK input.pdb
Selected Chain(s) R (Heavy), O (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 -2.7249
Maximum Score 2.3167
Average Score -0.5026
Total Score -115.0852

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

Index Residue Chain A4D Score Classification
2 V R 0.9141 Aggregation-prone
3 K R -0.7515 Soluble
4 L R 0.0000 Buried
5 V R 0.1286 Aggregation-prone
6 E R -0.1824 Soluble
7 S R -0.3493 Soluble
8 G R -0.3817 Soluble
9 G R 0.1794 Aggregation-prone
11 G R 0.7770 Aggregation-prone
12 L R 1.4035 Aggregation-prone
13 V R 0.1635 Aggregation-prone
14 K R -1.6520 Soluble
15 P R -1.6037 Soluble
16 G R -1.6358 Soluble
17 G R -1.3485 Soluble
18 S R -1.4983 Soluble
19 L R -1.2243 Soluble
20 R R -2.1431 Soluble
21 L R -1.0219 Soluble
22 S R -0.3966 Soluble
23 C R 0.0000 Buried
24 A R -0.2752 Soluble
25 A R 0.0000 Buried
26 S R -0.2403 Soluble
27 G R -0.2017 Soluble
28 F R -0.1708 Soluble
29 T R -0.7392 Soluble
30 F R 0.0000 Buried
35 T R -1.3297 Soluble
36 N R -1.2920 Soluble
37 Y R -0.3277 Soluble
38 G R 0.0000 Buried
39 M R 0.0000 Buried
40 S R 0.0000 Buried
41 W R 0.0000 Buried
42 V R 0.0000 Buried
43 R R 0.0000 Buried
44 Q R -0.8056 Soluble
45 A R -1.1855 Soluble
46 P R -0.9733 Soluble
47 G R -1.5982 Soluble
48 K R -2.7249 Soluble
49 R R -2.2832 Soluble
50 L R 0.0000 Buried
51 E R -0.9720 Soluble
52 W R 0.0000 Buried
53 V R 0.0000 Buried
54 A R 0.0000 Buried
55 E R 0.1926 Aggregation-prone
56 I R 0.0000 Buried
57 S R -0.2473 Soluble
58 S R -0.8402 Soluble
59 G R -0.9926 Soluble
62 G R -0.7845 Soluble
63 S R -0.0926 Soluble
64 Y R 1.0993 Aggregation-prone
65 T R 0.7906 Aggregation-prone
66 Y R 0.8145 Aggregation-prone
67 Y R 1.0296 Aggregation-prone
68 P R 0.0038 Aggregation-prone
69 D R -0.7931 Soluble
70 T R 0.0614 Aggregation-prone
71 V R 1.1770 Aggregation-prone
72 T R 0.1133 Aggregation-prone
74 G R -0.7711 Soluble
75 R R -1.8163 Soluble
76 F R 0.0000 Buried
77 T R -1.0546 Soluble
78 I R 0.0000 Buried
79 S R -0.3745 Soluble
80 R R -1.1812 Soluble
81 D R -1.9391 Soluble
82 N R -2.4882 Soluble
83 A R -1.6728 Soluble
84 K R -2.4248 Soluble
85 N R -1.7018 Soluble
86 T R -0.9866 Soluble
87 L R 0.0000 Buried
88 Y R -0.4452 Soluble
89 L R 0.0000 Buried
90 Q R -2.1160 Soluble
91 M R 0.0000 Buried
92 N R -2.5912 Soluble
93 S R -1.8981 Soluble
94 L R 0.0000 Buried
95 R R -2.6684 Soluble
96 A R -1.5356 Soluble
97 E R -2.2869 Soluble
98 D R 0.0000 Buried
99 T R -0.5879 Soluble
100 A R 0.0000 Buried
101 V R 0.5738 Aggregation-prone
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 A R 0.0000 Buried
106 R R 0.0000 Buried
107 F R 0.1672 Aggregation-prone
108 R R 0.1259 Aggregation-prone
109 Y R 0.6689 Aggregation-prone
110 G R -0.1376 Soluble
111 G R -0.4611 Soluble
112 G R 0.0000 Buried
113 G R 0.0000 Buried
114 T R 0.0670 Aggregation-prone
115 V R 0.0000 Buried
116 D R -0.1223 Soluble
117 Y R 0.1191 Aggregation-prone
118 W R -0.3431 Soluble
119 G R 0.0000 Buried
120 Q R -1.4565 Soluble
121 G R -0.4585 Soluble
122 T R 0.0000 Buried
123 L R 1.5724 Aggregation-prone
124 V R 1.1687 Aggregation-prone
125 T R 0.5830 Aggregation-prone
126 V R -0.4307 Soluble
127 S R -0.5610 Soluble
128 S R -0.5588 Soluble
2 I O 1.0993 Aggregation-prone
3 V O 1.5714 Aggregation-prone
4 L O 0.0000 Buried
5 T O -0.9186 Soluble
6 Q O 0.0000 Buried
7 S O -0.8619 Soluble
8 P O -0.6911 Soluble
10 T O -0.8075 Soluble
11 L O -0.3881 Soluble
12 S O -0.5869 Soluble
13 L O -0.6674 Soluble
14 S O -0.9473 Soluble
15 P O -1.2898 Soluble
16 G O -1.8002 Soluble
17 E O -2.4698 Soluble
18 R O -2.6662 Soluble
19 A O 0.0000 Buried
20 T O -0.6716 Soluble
21 L O 0.0000 Buried
22 S O -0.8907 Soluble
23 C O 0.0000 Buried
24 R O -2.1314 Soluble
25 A O -0.7017 Soluble
26 S O -0.3348 Soluble
27 E O -0.6246 Soluble
28 S O 0.3512 Aggregation-prone
29 V O 1.1345 Aggregation-prone
30 D O 0.5186 Aggregation-prone
31 N O 0.9227 Aggregation-prone
34 Y O 1.6931 Aggregation-prone
35 G O 1.0251 Aggregation-prone
36 I O 2.3167 Aggregation-prone
37 S O 0.6931 Aggregation-prone
38 F O 0.2541 Aggregation-prone
39 M O 0.0000 Buried
40 N O 0.0000 Buried
41 W O 0.0000 Buried
42 F O 0.0000 Buried
43 Q O -1.0653 Soluble
44 Q O -1.6039 Soluble
45 K O -2.0468 Soluble
46 P O -1.3856 Soluble
47 G O -1.6163 Soluble
48 Q O -2.3878 Soluble
49 A O -1.7660 Soluble
50 P O 0.0000 Buried
51 R O -2.0261 Soluble
52 L O -0.7840 Soluble
53 L O 0.0000 Buried
54 I O -0.2612 Soluble
55 Y O 0.0000 Buried
56 A O 0.0288 Aggregation-prone
57 A O -0.5961 Soluble
65 S O -0.8691 Soluble
66 N O -1.4752 Soluble
67 Q O -1.6591 Soluble
68 G O -1.3025 Soluble
69 S O -1.0051 Soluble
70 G O -0.7529 Soluble
71 I O -0.3686 Soluble
72 P O -0.4548 Soluble
74 S O -0.5990 Soluble
75 R O -0.8585 Soluble
76 F O 0.0000 Buried
77 S O -0.5642 Soluble
78 G O -0.4895 Soluble
79 S O -0.5932 Soluble
80 G O -0.3919 Soluble
83 S O -0.1424 Soluble
84 G O -0.3657 Soluble
85 T O -0.8951 Soluble
86 D O -1.5796 Soluble
87 F O 0.0000 Buried
88 S O -0.8358 Soluble
89 L O 0.0000 Buried
90 T O -0.9073 Soluble
91 I O 0.0000 Buried
92 S O -1.6228 Soluble
93 S O -1.5265 Soluble
94 L O 0.0000 Buried
95 E O -1.5913 Soluble
96 P O -1.4209 Soluble
97 E O -2.1073 Soluble
98 D O -1.1853 Soluble
99 F O -0.8101 Soluble
100 A O 0.0000 Buried
101 V O 0.0000 Buried
102 Y O 0.0000 Buried
103 F O 0.0000 Buried
104 C O 0.0000 Buried
105 Q O 0.0000 Buried
106 Q O 0.0000 Buried
107 S O -0.7784 Soluble
108 K O -1.6592 Soluble
109 E O -0.7509 Soluble
114 V O 0.2657 Aggregation-prone
115 P O 0.0275 Aggregation-prone
116 R O 0.0294 Aggregation-prone
117 I O 0.3416 Aggregation-prone
118 F O 0.0000 Buried
119 G O 0.0000 Buried
120 Q O -2.0422 Soluble
121 G O -1.6591 Soluble
122 T O 0.0000 Buried
123 K O -1.9875 Soluble
124 V O 0.0000 Buried
125 E O -1.7054 Soluble
126 I O -0.5078 Soluble
127 L O 0.3861 Aggregation-prone
128 K O -1.0568 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.5103 3.2241 CSV PDB
4.5 -0.545 3.2051 CSV PDB
5.0 -0.5855 3.1851 CSV PDB
5.5 -0.6228 3.1649 CSV PDB
6.0 -0.6474 3.1447 CSV PDB
6.5 -0.6526 3.1245 CSV PDB
7.0 -0.6386 3.1046 CSV PDB
7.5 -0.6119 3.0855 CSV PDB
8.0 -0.5787 3.0686 CSV PDB
8.5 -0.5413 3.0559 CSV PDB
9.0 -0.5005 3.0476 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH