Cilgavimab / 8ekd

A4DAB064_8ekd_E_F | Source PDB: 8ekd | Chains: E, F | Done
98.36
Yes
10 Å
Yes
Avg A4D Score
-0.6632
Max Score
1.6367
Min Score
-3.1656
Total Score
-157.18
Score CDR
-0.525
Score non-CDR
-0.7132

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVKPGGSLRLSCAASGFTFRDVWMSWVRQAPGKGLEWVGRIKSKIDGGTTDYAAPVKGRFTISRDDSKNTLYLQMNSLKTVYYCTTAGSYYYDTVGPELPEGKFDYWGQGTLVTVSIVMTQSPDSLAVSLGERATINCKSSQSVLYAANNKNYLAWYQQKPGQPPKLLMYWASERESGVPDRFSGSGSGAEFTLTISSLQAEDVAIYYCQQYYSTLTFGGGTKVEIK input.pdb
Selected Chain(s) E (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 -3.1656
Maximum Score 1.6367
Average Score -0.6632
Total Score -157.1771

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

Index Residue Chain A4D Score Classification
1 E E -2.4919 Soluble
2 V E -1.7681 Soluble
3 Q E -1.5464 Soluble
4 L E 0.0000 Buried
5 V E -0.0034 Soluble
6 E E 0.0000 Buried
7 S E -0.2512 Soluble
8 G E -0.7293 Soluble
9 G E 0.0818 Aggregation-prone
11 G E 0.7619 Aggregation-prone
12 L E 1.5134 Aggregation-prone
13 V E 0.3330 Aggregation-prone
14 K E -1.4899 Soluble
15 P E -1.3507 Soluble
16 G E -1.4163 Soluble
17 G E -1.0432 Soluble
18 S E -0.9768 Soluble
19 L E -0.6583 Soluble
20 R E -1.8616 Soluble
21 L E 0.0000 Buried
22 S E -0.5400 Soluble
23 C E 0.0000 Buried
24 A E -0.4403 Soluble
25 A E 0.0000 Buried
26 S E -1.0931 Soluble
27 G E -1.3671 Soluble
28 F E -0.7729 Soluble
29 T E -0.3477 Soluble
30 F E -1.1042 Soluble
35 R E -1.9598 Soluble
36 D E -0.9436 Soluble
37 V E 0.0000 Buried
38 W E 0.0000 Buried
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 -0.8023 Soluble
44 Q E -0.9622 Soluble
45 A E -0.8752 Soluble
46 P E -0.7931 Soluble
47 G E -1.4348 Soluble
48 K E -2.3111 Soluble
49 G E -1.8003 Soluble
50 L E 0.0000 Buried
51 E E -1.3560 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 G E 0.0000 Buried
55 R E 0.0000 Buried
56 I E 0.0000 Buried
57 K E -0.9890 Soluble
58 S E 0.0000 Buried
59 K E -1.6687 Soluble
60 I E 0.2660 Aggregation-prone
61 D E -0.8056 Soluble
62 G E -0.9718 Soluble
63 G E -1.1277 Soluble
64 T E -0.6690 Soluble
65 T E -0.3389 Soluble
66 D E -0.5342 Soluble
67 Y E -0.5719 Soluble
68 A E -0.6325 Soluble
69 A E -0.7148 Soluble
70 P E -0.8681 Soluble
71 V E -1.2686 Soluble
72 K E -2.0736 Soluble
74 G E -1.6861 Soluble
75 R E -1.8804 Soluble
76 F E -1.0871 Soluble
77 T E -0.7835 Soluble
78 I E 0.0000 Buried
79 S E -0.5066 Soluble
80 R E -1.8089 Soluble
81 D E -2.4446 Soluble
82 D E -3.1656 Soluble
83 S E -2.2311 Soluble
84 K E -2.7521 Soluble
85 N E -2.2713 Soluble
86 T E -1.3375 Soluble
87 L E 0.0000 Buried
88 Y E -0.5099 Soluble
89 L E 0.0000 Buried
90 Q E -1.2341 Soluble
91 M E 0.0000 Buried
92 N E -1.4764 Soluble
93 S E -1.2566 Soluble
94 L E -1.3667 Soluble
95 K E -2.1068 Soluble
96 T E -1.0633 Soluble
101 V E 0.3518 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 T E 0.0000 Buried
106 T E 0.0000 Buried
107 A E 0.0000 Buried
108 G E 0.0000 Buried
109 S E 0.0000 Buried
110 Y E 0.4708 Aggregation-prone
111 Y E 0.0000 Buried
111A Y E 0.3621 Aggregation-prone
111B D E 0.0000 Buried
111C T E 0.1002 Aggregation-prone
111D V E -0.1129 Soluble
112E G E -0.5491 Soluble
112D P E -1.0267 Soluble
112C E E -2.0470 Soluble
112B L E -1.1941 Soluble
112A P E -1.7172 Soluble
112 E E -2.5844 Soluble
113 G E -1.5744 Soluble
114 K E -1.3702 Soluble
115 F E 0.0000 Buried
116 D E 0.0000 Buried
117 Y E 0.0000 Buried
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -0.9504 Soluble
121 G E -0.1820 Soluble
122 T E 0.0000 Buried
123 L E 1.6367 Aggregation-prone
124 V E 1.3268 Aggregation-prone
125 T E 1.0015 Aggregation-prone
126 V E 0.2002 Aggregation-prone
127 S E -0.3761 Soluble
2 I F 1.0638 Aggregation-prone
3 V F 1.5369 Aggregation-prone
4 M F 0.0000 Buried
5 T F -0.5245 Soluble
6 Q F -1.2044 Soluble
7 S F -1.0560 Soluble
8 P F -1.3025 Soluble
9 D F -2.2813 Soluble
10 S F -1.6100 Soluble
11 L F -0.9455 Soluble
12 A F -0.8595 Soluble
13 V F 0.0000 Buried
14 S F -0.8594 Soluble
15 L F 0.1936 Aggregation-prone
16 G F -0.9047 Soluble
17 E F -2.3981 Soluble
18 R F -2.6794 Soluble
19 A F 0.0000 Buried
20 T F -0.7980 Soluble
21 I F 0.0000 Buried
22 N F -0.8974 Soluble
23 C F 0.0000 Buried
24 K F -1.8449 Soluble
25 S F -0.8518 Soluble
26 S F -0.5529 Soluble
27 Q F -1.0143 Soluble
28 S F -0.8057 Soluble
29 V F 0.0000 Buried
30 L F -0.1653 Soluble
31 Y F -0.0163 Soluble
32 A F -0.4234 Soluble
33 A F -0.7721 Soluble
34 N F -1.7795 Soluble
35 N F -1.9056 Soluble
36 K F -1.4018 Soluble
37 N F 0.0000 Buried
38 Y F 0.0000 Buried
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F 0.0000 Buried
45 K F -1.3347 Soluble
46 P F -0.8282 Soluble
47 G F -1.1732 Soluble
48 Q F -1.4590 Soluble
49 P F -1.2091 Soluble
50 P F 0.0000 Buried
51 K F -1.4073 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 M F 0.0000 Buried
55 Y F -0.4735 Soluble
56 W F -0.4950 Soluble
57 A F 0.0000 Buried
65 S F -1.2468 Soluble
66 E F -1.9162 Soluble
67 R F -1.9414 Soluble
68 E F 0.0000 Buried
69 S F -1.3444 Soluble
70 G F -1.1770 Soluble
71 V F -0.8232 Soluble
72 P F -1.3650 Soluble
74 D F -2.2245 Soluble
75 R F -1.5748 Soluble
76 F F 0.0000 Buried
77 S F -1.0618 Soluble
78 G F -0.7141 Soluble
79 S F -0.7776 Soluble
80 G F -0.8931 Soluble
83 S F -0.8622 Soluble
84 G F -0.9200 Soluble
85 A F -1.3886 Soluble
86 E F -1.9549 Soluble
87 F F 0.0000 Buried
88 T F -0.7690 Soluble
89 L F 0.0000 Buried
90 T F -0.6477 Soluble
91 I F 0.0000 Buried
92 S F -1.7254 Soluble
93 S F -1.4368 Soluble
94 L F 0.0000 Buried
95 Q F -0.8941 Soluble
96 A F -0.8952 Soluble
97 E F -1.9969 Soluble
98 D F 0.0000 Buried
99 V F -0.8786 Soluble
100 A F 0.0000 Buried
101 I F -0.6829 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 Y F 0.0000 Buried
108 Y F 0.5923 Aggregation-prone
114 S F 0.0214 Aggregation-prone
115 T F 0.0750 Aggregation-prone
116 L F 0.0000 Buried
117 T F 0.3024 Aggregation-prone
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 G F -1.3592 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.7588 Soluble
124 V F 0.0000 Buried
125 E F -1.6490 Soluble
126 I F -0.5202 Soluble
127 K F -1.3567 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 -0.5846 2.3607 CSV PDB
4.5 -0.631 2.3607 CSV PDB
5.0 -0.6862 2.3607 CSV PDB
5.5 -0.7379 2.3607 CSV PDB
6.0 -0.7737 2.3607 CSV PDB
6.5 -0.7856 2.3607 CSV PDB
7.0 -0.7735 2.3607 CSV PDB
7.5 -0.745 2.3607 CSV PDB
8.0 -0.7075 2.3607 CSV PDB
8.5 -0.6641 2.3607 CSV PDB
9.0 -0.6148 2.3607 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH