Upanovimab / 7cyp

A4DAB283_7cyp_E_D | Source PDB: 7cyp | Chains: E, D | Done
96.95
Yes
10 Å
Yes
Avg A4D Score
-0.5112
Max Score
2.2327
Min Score
-2.9274
Total Score
-117.06
Score CDR
-0.0919
Score non-CDR
-0.6313

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 -2.9274
Maximum Score 2.2327
Average Score -0.5112
Total Score -117.0584

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

Index Residue Chain A4D Score Classification
2 V E 1.2239 Aggregation-prone
3 K E -0.5563 Soluble
4 L E 0.0000 Buried
5 V E 0.0856 Aggregation-prone
6 E E -0.2503 Soluble
7 S E -0.5021 Soluble
8 G E -0.4808 Soluble
9 G E 0.2009 Aggregation-prone
11 G E 0.5868 Aggregation-prone
12 L E 1.4968 Aggregation-prone
13 V E 0.1104 Aggregation-prone
14 K E -1.7348 Soluble
15 P E -2.1236 Soluble
16 G E -1.6368 Soluble
17 G E -1.4605 Soluble
18 S E -1.6122 Soluble
19 L E -1.0450 Soluble
20 R E -2.0276 Soluble
21 L E 0.0000 Buried
22 S E -0.7482 Soluble
23 C E 0.0000 Buried
24 A E -0.4442 Soluble
25 A E -0.5778 Soluble
26 S E -0.2770 Soluble
27 G E -0.2682 Soluble
28 F E -0.0646 Soluble
29 T E -0.4702 Soluble
30 F E 0.0000 Buried
35 T E -1.2456 Soluble
36 N E -1.1588 Soluble
37 Y E -0.4743 Soluble
38 G E -0.3113 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 -0.6104 Soluble
44 Q E -0.8784 Soluble
45 A E -1.2416 Soluble
46 P E -1.2927 Soluble
47 G E -1.5152 Soluble
48 K E -2.6517 Soluble
49 R E -2.1325 Soluble
50 L E 0.0000 Buried
51 E E -1.6141 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 E E 0.0000 Buried
56 I E 0.0000 Buried
57 S E -0.0686 Soluble
58 S E -0.5582 Soluble
59 G E -0.8830 Soluble
62 G E -0.5288 Soluble
63 S E 0.0149 Aggregation-prone
64 Y E 1.0342 Aggregation-prone
65 T E 0.7507 Aggregation-prone
66 Y E 1.0696 Aggregation-prone
67 Y E 0.3228 Aggregation-prone
68 P E -0.3701 Soluble
69 D E -1.1434 Soluble
70 T E -0.0592 Soluble
71 V E 0.8973 Aggregation-prone
72 T E -0.4330 Soluble
74 G E -0.8137 Soluble
75 R E -1.8845 Soluble
76 F E 0.0000 Buried
77 T E -1.0628 Soluble
78 I E 0.0000 Buried
79 S E -0.6067 Soluble
80 R E -1.4139 Soluble
81 D E -2.0680 Soluble
82 N E -2.3761 Soluble
83 A E -1.7512 Soluble
84 K E -2.5181 Soluble
85 N E -1.9362 Soluble
86 T E 0.0000 Buried
87 L E 0.0000 Buried
88 Y E -0.6258 Soluble
89 L E 0.0000 Buried
90 Q E -1.6311 Soluble
91 M E 0.0000 Buried
92 N E -1.8893 Soluble
93 S E -1.3662 Soluble
94 L E 0.0000 Buried
95 R E -2.9274 Soluble
96 A E -2.1080 Soluble
97 E E -2.4199 Soluble
98 D E 0.0000 Buried
99 T E -0.4277 Soluble
100 A E 0.0000 Buried
101 V E 0.6174 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 0.0121 Aggregation-prone
108 R E -0.2770 Soluble
109 Y E 0.4128 Aggregation-prone
110 G E -0.2360 Soluble
111 G E -0.5022 Soluble
112 G E -0.6878 Soluble
113 G E -0.2762 Soluble
114 T E 0.0000 Buried
115 V E 0.0000 Buried
116 D E 0.2877 Aggregation-prone
117 Y E 0.8536 Aggregation-prone
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.2087 Soluble
121 G E -0.3736 Soluble
122 T E 0.0000 Buried
123 L E 1.3750 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.1864 Aggregation-prone
126 V E 0.0000 Buried
127 S E -0.9414 Soluble
128 S E -0.4196 Soluble
2 I D 0.4870 Aggregation-prone
3 V D 1.0889 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.8912 Soluble
6 Q D 0.0000 Buried
7 S D -0.7772 Soluble
8 P D -0.5644 Soluble
10 T D -0.4484 Soluble
11 L D -0.2722 Soluble
12 S D -0.1794 Soluble
13 L D -0.4561 Soluble
14 S D -0.7535 Soluble
15 P D -1.6009 Soluble
16 G D -1.6009 Soluble
17 E D -2.1620 Soluble
18 R D -2.4830 Soluble
19 A D 0.0000 Buried
20 T D -0.6610 Soluble
21 L D 0.0000 Buried
22 S D -0.8577 Soluble
23 C D 0.0000 Buried
24 R D -2.0639 Soluble
25 A D 0.0000 Buried
26 S D -0.6555 Soluble
27 E D -1.5159 Soluble
28 S D -0.3372 Soluble
29 V D 0.5847 Aggregation-prone
30 D D 0.0000 Buried
31 N D 0.8572 Aggregation-prone
34 Y D 1.6130 Aggregation-prone
35 G D 1.0795 Aggregation-prone
36 I D 2.2327 Aggregation-prone
37 S D 0.8419 Aggregation-prone
38 F D 0.3290 Aggregation-prone
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 -1.1791 Soluble
45 K D -1.8443 Soluble
46 P D -1.3365 Soluble
47 G D -1.4617 Soluble
48 Q D -2.2357 Soluble
49 A D -1.3809 Soluble
50 P D 0.0000 Buried
51 R D -0.7143 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.4870 Soluble
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D -0.9125 Soluble
66 N D -1.2890 Soluble
67 Q D -0.9548 Soluble
68 G D -0.8696 Soluble
69 S D -0.6104 Soluble
70 G D -0.6548 Soluble
71 I D -0.5878 Soluble
72 P D -0.5277 Soluble
74 S D -0.6452 Soluble
75 R D -1.2047 Soluble
76 F D 0.0000 Buried
77 S D -0.8937 Soluble
78 G D -0.6416 Soluble
79 S D -0.7107 Soluble
80 G D -0.4840 Soluble
83 S D -0.3114 Soluble
84 G D 0.2648 Aggregation-prone
85 T D -0.7718 Soluble
86 D D -1.2179 Soluble
87 F D 0.0000 Buried
88 S D -0.6936 Soluble
89 L D 0.0000 Buried
90 T D -0.8949 Soluble
91 I D 0.0000 Buried
92 S D -1.7885 Soluble
93 S D -1.7762 Soluble
94 L D 0.0000 Buried
95 E D -2.0862 Soluble
96 P D -1.8109 Soluble
97 E D -2.4085 Soluble
98 D D -2.0447 Soluble
99 F D -1.2499 Soluble
100 A D 0.0000 Buried
101 V D -0.5776 Soluble
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 -1.0088 Soluble
108 K D -1.8731 Soluble
109 E D -1.7247 Soluble
114 V D 0.2058 Aggregation-prone
115 P D -0.0075 Soluble
116 R D -0.3247 Soluble
117 I D -0.0816 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.8166 Soluble
121 G D -1.1113 Soluble
122 T D 0.0000 Buried
123 K D -0.7814 Soluble
124 V D 0.0000 Buried
125 E D -1.0797 Soluble
126 I D 0.0000 Buried
127 L D 0.3095 Aggregation-prone
128 K D -0.9432 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 -0.6019 3.1365 CSV PDB
4.5 -0.6396 3.1365 CSV PDB
5.0 -0.6842 3.1365 CSV PDB
5.5 -0.726 3.1365 CSV PDB
6.0 -0.7555 3.1365 CSV PDB
6.5 -0.765 3.1365 CSV PDB
7.0 -0.7539 3.1365 CSV PDB
7.5 -0.7291 3.1364 CSV PDB
8.0 -0.697 3.1363 CSV PDB
8.5 -0.6607 3.1359 CSV PDB
9.0 -0.6211 3.1347 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH