Upanovimab / 7cwt

A4DAB283_7cwt_I_J | Source PDB: 7cwt | Chains: I, J | Done
96.94
Yes
10 Å
Yes
Avg A4D Score
-0.4352
Max Score
2.2647
Min Score
-2.8054
Total Score
-99.66
Score CDR
-0.0164
Score non-CDR
-0.5552

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILKR input.pdb
Selected Chain(s) I (Heavy), J (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 -2.8054
Maximum Score 2.2647
Average Score -0.4352
Total Score -99.6642

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

Index Residue Chain A4D Score Classification
2 V I 0.9978 Aggregation-prone
3 K I -0.6814 Soluble
4 L I 0.0000 Buried
5 V I 0.6456 Aggregation-prone
6 E I 0.2900 Aggregation-prone
7 S I -0.2261 Soluble
8 G I 0.2522 Aggregation-prone
9 G I 0.2642 Aggregation-prone
11 G I 0.6699 Aggregation-prone
12 L I 1.6088 Aggregation-prone
13 V I 0.4555 Aggregation-prone
14 K I -1.3051 Soluble
15 P I -1.0937 Soluble
16 G I -1.1742 Soluble
17 G I -0.9662 Soluble
18 S I -1.1635 Soluble
19 L I -0.7862 Soluble
20 R I -1.8317 Soluble
21 L I 0.0000 Buried
22 S I -0.4084 Soluble
23 C I 0.0000 Buried
24 A I -0.3195 Soluble
25 A I 0.0000 Buried
26 S I -0.1812 Soluble
27 G I -0.3142 Soluble
28 F I -0.0232 Soluble
29 T I -0.3451 Soluble
30 F I 0.0000 Buried
35 T I -0.9366 Soluble
36 N I -0.6389 Soluble
37 Y I -0.0094 Soluble
38 G I -0.2557 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 0.0000 Buried
44 Q I -0.6880 Soluble
45 A I 0.0000 Buried
46 P I -1.0642 Soluble
47 G I -1.4143 Soluble
48 K I -2.1285 Soluble
49 R I -1.5513 Soluble
50 L I 0.0000 Buried
51 E I -0.6825 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 E I 0.3713 Aggregation-prone
56 I I 0.0000 Buried
57 S I -0.1118 Soluble
58 S I -0.5246 Soluble
59 G I -0.7039 Soluble
62 G I -0.3934 Soluble
63 S I 0.0259 Aggregation-prone
64 Y I 1.0438 Aggregation-prone
65 T I 0.7280 Aggregation-prone
66 Y I 1.2796 Aggregation-prone
67 Y I 0.4314 Aggregation-prone
68 P I 0.0000 Buried
69 D I -1.3769 Soluble
70 T I -0.9133 Soluble
71 V I 0.0000 Buried
72 T I -0.6824 Soluble
74 G I 0.0000 Buried
75 R I -1.1517 Soluble
76 F I 0.0000 Buried
77 T I -0.6690 Soluble
78 I I 0.0000 Buried
79 S I -0.7493 Soluble
80 R I -1.2356 Soluble
81 D I -1.5092 Soluble
82 N I -1.4039 Soluble
83 A I -1.2116 Soluble
84 K I -2.1278 Soluble
85 N I -1.3997 Soluble
86 T I 0.0000 Buried
87 L I 0.0000 Buried
88 Y I -0.6924 Soluble
89 L I 0.0000 Buried
90 Q I -1.4558 Soluble
91 M I 0.0000 Buried
92 N I -1.2721 Soluble
93 S I -1.1507 Soluble
94 L I 0.0000 Buried
95 R I -1.4150 Soluble
96 A I -0.6655 Soluble
97 E I -0.8680 Soluble
98 D I 0.0000 Buried
99 T I 0.0785 Aggregation-prone
100 A I 0.0000 Buried
101 V I 0.7854 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 0.2500 Aggregation-prone
108 R I -0.0221 Soluble
109 Y I 0.6958 Aggregation-prone
110 G I -0.1972 Soluble
111 G I -0.6333 Soluble
112 G I -0.6918 Soluble
113 G I -0.7138 Soluble
114 T I 0.0000 Buried
115 V I 0.0000 Buried
116 D I -0.2401 Soluble
117 Y I 0.2334 Aggregation-prone
118 W I -0.2583 Soluble
119 G I 0.0000 Buried
120 Q I -1.4646 Soluble
121 G I -0.2460 Soluble
122 T I 0.0000 Buried
123 L I 1.5919 Aggregation-prone
124 V I 1.1499 Aggregation-prone
125 T I 0.6944 Aggregation-prone
126 V I 0.0000 Buried
127 S I -0.2759 Soluble
2 I J 0.5936 Aggregation-prone
3 V J 1.2391 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.7164 Soluble
6 Q J 0.0000 Buried
7 S J -0.7430 Soluble
8 P J -0.4923 Soluble
10 T J -0.6476 Soluble
11 L J -0.4772 Soluble
12 S J -0.3452 Soluble
13 L J -0.6236 Soluble
14 S J -1.1530 Soluble
15 P J -1.6229 Soluble
16 G J -1.7594 Soluble
17 E J -2.6749 Soluble
18 R J -2.8054 Soluble
19 A J 0.0000 Buried
20 T J -0.7304 Soluble
21 L J 0.0000 Buried
22 S J -0.9789 Soluble
23 C J 0.0000 Buried
24 R J -2.0833 Soluble
25 A J 0.0000 Buried
26 S J -0.6274 Soluble
27 E J -1.5079 Soluble
28 S J -0.3569 Soluble
29 V J 0.8415 Aggregation-prone
30 D J 0.1494 Aggregation-prone
31 N J 0.9604 Aggregation-prone
34 Y J 1.7036 Aggregation-prone
35 G J 1.0626 Aggregation-prone
36 I J 2.2647 Aggregation-prone
37 S J 0.7385 Aggregation-prone
38 F J 0.3323 Aggregation-prone
39 M J 0.0000 Buried
40 N J 0.0000 Buried
41 W J 0.0000 Buried
42 F J 0.0000 Buried
43 Q J -1.2195 Soluble
44 Q J -1.7513 Soluble
45 K J -2.5377 Soluble
46 P J -1.5007 Soluble
47 G J -1.5222 Soluble
48 Q J -2.1752 Soluble
49 A J -1.5867 Soluble
50 P J 0.0000 Buried
51 R J -2.0564 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.0000 Buried
56 A J 0.0000 Buried
57 A J 0.0000 Buried
65 S J -1.0895 Soluble
66 N J -1.7055 Soluble
67 Q J -1.3145 Soluble
68 G J -0.9207 Soluble
69 S J -0.6491 Soluble
70 G J -0.9278 Soluble
71 I J 0.0000 Buried
72 P J -0.6623 Soluble
74 S J -0.7145 Soluble
75 R J -1.0842 Soluble
76 F J 0.0000 Buried
77 S J -0.8817 Soluble
78 G J -0.7802 Soluble
79 S J -0.8269 Soluble
80 G J -0.8329 Soluble
83 S J -0.5305 Soluble
84 G J -0.1106 Soluble
85 T J -0.8482 Soluble
86 D J -1.4635 Soluble
87 F J 0.0000 Buried
88 S J -0.7443 Soluble
89 L J 0.0000 Buried
90 T J -0.9478 Soluble
91 I J 0.0000 Buried
92 S J -2.0155 Soluble
93 S J -1.8021 Soluble
94 L J 0.0000 Buried
95 E J -1.6561 Soluble
96 P J -1.7474 Soluble
97 E J -2.1289 Soluble
98 D J -1.6615 Soluble
99 F J -1.2968 Soluble
100 A J 0.0000 Buried
101 V J -0.7312 Soluble
102 Y J 0.0000 Buried
103 F J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 S J 0.0000 Buried
108 K J -1.8489 Soluble
109 E J -1.2782 Soluble
114 V J 0.5188 Aggregation-prone
115 P J 0.0298 Aggregation-prone
116 R J -0.0981 Soluble
117 I J 0.5207 Aggregation-prone
118 F J 0.0000 Buried
119 G J 0.0000 Buried
120 Q J -0.9329 Soluble
121 G J -0.7604 Soluble
122 T J 0.0000 Buried
123 K J -1.2684 Soluble
124 V J 0.0000 Buried
125 E J -1.3147 Soluble
126 I J 0.0000 Buried
127 L J -0.2758 Soluble
128 K J -1.8463 Soluble
129 R J -2.1534 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 -0.5535 3.1564 CSV PDB
4.5 -0.5828 3.1448 CSV PDB
5.0 -0.6183 3.1323 CSV PDB
5.5 -0.6516 3.1197 CSV PDB
6.0 -0.6737 3.1069 CSV PDB
6.5 -0.6787 3.0941 CSV PDB
7.0 -0.6658 3.0815 CSV PDB
7.5 -0.6401 3.0691 CSV PDB
8.0 -0.6072 3.0578 CSV PDB
8.5 -0.5699 3.0484 CSV PDB
9.0 -0.5298 3.0413 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH