Upanovimab / 7cwt

A4DAB283_7cwt_G_F | Source PDB: 7cwt | Chains: G, F | Done
96.94
Yes
10 Å
Yes
Avg A4D Score
-0.4863
Max Score
2.2746
Min Score
-2.498
Total Score
-111.36
Score CDR
-0.1186
Score non-CDR
-0.5917

Calculation Parameters

Chain Sequence(s) VKLVESGGGLVKPGGSLRLSCAASGFTFTNYGMSWVRQAPGKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARFRYGGGGTVDYWGQGTLVTVSIVLTQSPTLSLSPGERATLSCRASESVDNYGISFMNWFQQKPGQAPRLLIYAASNQGSGIPSRFSGSGSGTDFSLTISSLEPEDFAVYFCQQSKEVPRIFGQGTKVEILKR input.pdb
Selected Chain(s) G (Heavy), F (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 -2.498
Maximum Score 2.2746
Average Score -0.4863
Total Score -111.3615

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

Index Residue Chain A4D Score Classification
2 V G 0.4145 Aggregation-prone
3 K G -0.8807 Soluble
4 L G 0.0000 Buried
5 V G 0.9591 Aggregation-prone
6 E G 0.2546 Aggregation-prone
7 S G -0.1357 Soluble
8 G G -0.1911 Soluble
9 G G 0.2320 Aggregation-prone
11 G G 0.7213 Aggregation-prone
12 L G 1.4679 Aggregation-prone
13 V G 0.2356 Aggregation-prone
14 K G -1.5247 Soluble
15 P G -1.8034 Soluble
16 G G -1.4371 Soluble
17 G G -1.2895 Soluble
18 S G -1.4469 Soluble
19 L G -1.0378 Soluble
20 R G -1.8671 Soluble
21 L G 0.0000 Buried
22 S G -0.2797 Soluble
23 C G 0.0000 Buried
24 A G -0.1779 Soluble
25 A G -0.4697 Soluble
26 S G -0.2480 Soluble
27 G G -0.4527 Soluble
28 F G -0.2128 Soluble
29 T G -0.5510 Soluble
30 F G 0.0000 Buried
35 T G -1.3295 Soluble
36 N G -1.4263 Soluble
37 Y G -0.6617 Soluble
38 G G -0.3990 Soluble
39 M G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.7338 Soluble
45 A G 0.0000 Buried
46 P G -0.9567 Soluble
47 G G -1.3272 Soluble
48 K G -1.9171 Soluble
49 R G -2.3854 Soluble
50 L G 0.0000 Buried
51 E G -1.1689 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 A G 0.0000 Buried
55 E G 0.4115 Aggregation-prone
56 I G 0.0000 Buried
57 S G -0.1468 Soluble
58 S G -0.8120 Soluble
59 G G -0.8634 Soluble
62 G G -0.5705 Soluble
63 S G 0.0912 Aggregation-prone
64 Y G 1.3096 Aggregation-prone
65 T G 0.8641 Aggregation-prone
66 Y G 1.3103 Aggregation-prone
67 Y G 0.5382 Aggregation-prone
68 P G -0.2202 Soluble
69 D G -1.0056 Soluble
70 T G -0.0650 Soluble
71 V G 1.0679 Aggregation-prone
72 T G -0.1497 Soluble
74 G G -0.4316 Soluble
75 R G -1.1736 Soluble
76 F G 0.0000 Buried
77 T G -0.8180 Soluble
78 I G 0.0000 Buried
79 S G -0.5036 Soluble
80 R G -1.4368 Soluble
81 D G -2.0054 Soluble
82 N G -2.4722 Soluble
83 A G -1.7217 Soluble
84 K G -2.4980 Soluble
85 N G -1.9960 Soluble
86 T G 0.0000 Buried
87 L G 0.0000 Buried
88 Y G -0.5506 Soluble
89 L G 0.0000 Buried
90 Q G -1.4925 Soluble
91 M G 0.0000 Buried
92 N G -1.6444 Soluble
93 S G -1.2513 Soluble
94 L G 0.0000 Buried
95 R G -2.4244 Soluble
96 A G -1.7168 Soluble
97 E G -2.2627 Soluble
98 D G 0.0000 Buried
99 T G -0.4154 Soluble
100 A G 0.0000 Buried
101 V G 0.3532 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G 0.0000 Buried
107 F G 0.0000 Buried
108 R G -0.5928 Soluble
109 Y G 0.3135 Aggregation-prone
110 G G -0.2202 Soluble
111 G G -0.5022 Soluble
112 G G 0.0000 Buried
113 G G -0.4213 Soluble
114 T G 0.0000 Buried
115 V G 0.0000 Buried
116 D G -0.0983 Soluble
117 Y G 0.0111 Aggregation-prone
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.1687 Soluble
121 G G -0.3847 Soluble
122 T G 0.0000 Buried
123 L G 1.2535 Aggregation-prone
124 V G 0.0000 Buried
125 T G 0.2020 Aggregation-prone
126 V G 0.0000 Buried
127 S G -0.7927 Soluble
2 I F 0.3292 Aggregation-prone
3 V F 1.0638 Aggregation-prone
4 L F 0.0000 Buried
5 T F -0.8103 Soluble
6 Q F 0.0000 Buried
7 S F -0.7499 Soluble
8 P F -0.5012 Soluble
10 T F -0.5244 Soluble
11 L F -0.3973 Soluble
12 S F -0.2640 Soluble
13 L F -0.4648 Soluble
14 S F 0.0000 Buried
15 P F -1.4400 Soluble
16 G F -1.4765 Soluble
17 E F -2.0594 Soluble
18 R F -2.4948 Soluble
19 A F 0.0000 Buried
20 T F -0.6622 Soluble
21 L F 0.0000 Buried
22 S F -0.9299 Soluble
23 C F 0.0000 Buried
24 R F -2.1118 Soluble
25 A F 0.0000 Buried
26 S F -0.6341 Soluble
27 E F -1.5761 Soluble
28 S F -0.4643 Soluble
29 V F 0.8348 Aggregation-prone
30 D F 0.1143 Aggregation-prone
31 N F 0.9158 Aggregation-prone
34 Y F 1.7069 Aggregation-prone
35 G F 1.0690 Aggregation-prone
36 I F 2.2746 Aggregation-prone
37 S F 0.8177 Aggregation-prone
38 F F 0.4458 Aggregation-prone
39 M F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 F F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.3673 Soluble
45 K F -2.2824 Soluble
46 P F -1.4609 Soluble
47 G F -1.4190 Soluble
48 Q F -2.0603 Soluble
49 A F -1.3971 Soluble
50 P F 0.0000 Buried
51 R F -0.9334 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F -0.5231 Soluble
56 A F 0.0000 Buried
57 A F 0.0000 Buried
65 S F -1.0420 Soluble
66 N F -1.6161 Soluble
67 Q F -1.2081 Soluble
68 G F -0.9509 Soluble
69 S F -0.6736 Soluble
70 G F -0.7562 Soluble
71 I F 0.0000 Buried
72 P F -0.6697 Soluble
74 S F -0.7243 Soluble
75 R F -1.1016 Soluble
76 F F 0.0000 Buried
77 S F -0.8883 Soluble
78 G F -0.7798 Soluble
79 S F -0.8031 Soluble
80 G F -0.8216 Soluble
83 S F -0.5243 Soluble
84 G F -0.1062 Soluble
85 T F -0.8471 Soluble
86 D F -1.4585 Soluble
87 F F 0.0000 Buried
88 S F -0.7448 Soluble
89 L F 0.0000 Buried
90 T F -0.8880 Soluble
91 I F 0.0000 Buried
92 S F -1.8262 Soluble
93 S F -1.5872 Soluble
94 L F 0.0000 Buried
95 E F -1.6837 Soluble
96 P F -1.7818 Soluble
97 E F -2.1735 Soluble
98 D F -1.6997 Soluble
99 F F -1.2388 Soluble
100 A F 0.0000 Buried
101 V F -0.6354 Soluble
102 Y F 0.0000 Buried
103 F F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 S F 0.0000 Buried
108 K F -2.1777 Soluble
109 E F -1.9593 Soluble
114 V F -0.0341 Soluble
115 P F 0.0000 Buried
116 R F -0.3773 Soluble
117 I F 0.0764 Aggregation-prone
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.5878 Soluble
121 G F -1.1154 Soluble
122 T F 0.0000 Buried
123 K F -1.0286 Soluble
124 V F 0.0000 Buried
125 E F -1.1429 Soluble
126 I F 0.0000 Buried
127 L F -0.2344 Soluble
128 K F -1.8395 Soluble
129 R F -2.1484 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
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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 -0.6171 3.1794 CSV PDB
4.5 -0.6499 3.1696 CSV PDB
5.0 -0.6893 3.1587 CSV PDB
5.5 -0.7259 3.1473 CSV PDB
6.0 -0.7508 3.1357 CSV PDB
6.5 -0.7578 3.1241 CSV PDB
7.0 -0.7469 3.1126 CSV PDB
7.5 -0.7237 3.1012 CSV PDB
8.0 -0.6938 3.0903 CSV PDB
8.5 -0.6598 3.0804 CSV PDB
9.0 -0.6229 3.0723 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH