Bamlanivimab / 7l3n

A4DAB032_7l3n_D_E | Source PDB: 7l3n | Chains: D, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5425
Max Score
1.896
Min Score
-3.1631
Total Score
-124.76
Score CDR
0.017
Score non-CDR
-0.7059

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFSNYAISWVRQAPGQGLEWMGRIIPILGIANYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARGYYEARHYYYYYAMDVWGQGTAVTVSDIQMTQSPSSLSASVGDRVTITCRASQSISSYLSWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTITSLQPEDFATYYCQQSYSTPRTFGQGTKVEI input.pdb
Selected Chain(s) D (Heavy), E (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 -3.1631
Maximum Score 1.896
Average Score -0.5425
Total Score -124.7639

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

Index Residue Chain A4D Score Classification
1 Q D -1.5154 Soluble
2 V D -1.0382 Soluble
3 Q D -1.2999 Soluble
4 L D 0.0000 Buried
5 V D 0.3504 Aggregation-prone
6 Q D 0.0000 Buried
7 S D -0.5669 Soluble
8 G D -0.6593 Soluble
9 A D -0.0879 Soluble
11 E D -0.3312 Soluble
12 V D 0.7023 Aggregation-prone
13 K D -1.1995 Soluble
14 K D -2.2810 Soluble
15 P D -2.2735 Soluble
16 G D -1.7448 Soluble
17 S D -1.3660 Soluble
18 S D -1.5850 Soluble
19 V D 0.0000 Buried
20 K D -2.0822 Soluble
21 V D 0.0000 Buried
22 S D -0.4107 Soluble
23 C D 0.0000 Buried
24 K D -0.6109 Soluble
25 A D 0.0000 Buried
26 S D -0.7850 Soluble
27 G D -1.1802 Soluble
28 G D -0.9814 Soluble
29 T D -0.8738 Soluble
30 F D 0.0000 Buried
35 S D -0.6305 Soluble
36 N D -0.6350 Soluble
37 Y D -0.1088 Soluble
38 A D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D -0.5386 Soluble
44 Q D -0.7302 Soluble
45 A D -1.0462 Soluble
46 P D -0.8614 Soluble
47 G D -1.2369 Soluble
48 Q D -1.9299 Soluble
49 G D -1.3878 Soluble
50 L D 0.0000 Buried
51 E D -0.8543 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 R D -0.3608 Soluble
56 I D 0.0000 Buried
57 I D 0.0000 Buried
58 P D 0.0000 Buried
59 I D 0.9672 Aggregation-prone
62 L D 1.8960 Aggregation-prone
63 G D 0.6867 Aggregation-prone
64 I D 1.2236 Aggregation-prone
65 A D 0.1533 Aggregation-prone
66 N D -0.9020 Soluble
67 Y D -1.1260 Soluble
68 A D 0.0000 Buried
69 Q D -2.4657 Soluble
70 K D -2.5907 Soluble
71 F D -1.7530 Soluble
72 Q D -2.3900 Soluble
74 G D -1.6440 Soluble
75 R D -1.4353 Soluble
76 V D 0.0000 Buried
77 T D -0.8784 Soluble
78 I D 0.0000 Buried
79 T D -0.3788 Soluble
80 A D -0.6038 Soluble
81 D D -1.8950 Soluble
82 K D -1.9381 Soluble
83 S D -1.2643 Soluble
84 T D -1.0896 Soluble
85 S D 0.0000 Buried
86 T D -0.8525 Soluble
87 A D 0.0000 Buried
88 Y D -0.3959 Soluble
89 M D 0.0000 Buried
90 E D -1.5831 Soluble
91 L D 0.0000 Buried
92 S D -1.3113 Soluble
93 S D -1.3497 Soluble
94 L D 0.0000 Buried
95 R D -3.1631 Soluble
96 S D -2.4865 Soluble
97 E D -2.5551 Soluble
98 D D 0.0000 Buried
99 T D -0.9029 Soluble
100 A D 0.0000 Buried
101 V D 0.0325 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.3990 Soluble
107 G D 0.0000 Buried
108 Y D 0.0000 Buried
109 Y D 0.2191 Aggregation-prone
110 E D -0.4724 Soluble
111 A D -0.2274 Soluble
111A R D -1.2942 Soluble
111B H D 0.0496 Aggregation-prone
112C Y D 1.4951 Aggregation-prone
112B Y D 1.7978 Aggregation-prone
112A Y D 1.1562 Aggregation-prone
112 Y D 1.4261 Aggregation-prone
113 Y D 1.0401 Aggregation-prone
114 A D 0.0000 Buried
115 M D 0.0000 Buried
116 D D -0.6811 Soluble
117 V D 0.0000 Buried
118 W D -0.7172 Soluble
119 G D 0.0000 Buried
120 Q D -1.5148 Soluble
121 G D -0.7859 Soluble
122 T D 0.0000 Buried
123 A D 0.0103 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.4546 Soluble
126 V D 0.0000 Buried
127 S D -1.3156 Soluble
1 D E -2.0644 Soluble
2 I E -1.4015 Soluble
3 Q E -1.9554 Soluble
4 M E -1.5007 Soluble
5 T E -1.1913 Soluble
6 Q E -0.9749 Soluble
7 S E -0.6587 Soluble
8 P E -0.5971 Soluble
9 S E -0.9704 Soluble
10 S E -1.2643 Soluble
11 L E -0.5741 Soluble
12 S E -0.4925 Soluble
13 A E 0.0000 Buried
14 S E 0.2642 Aggregation-prone
15 V E 0.8880 Aggregation-prone
16 G E -0.6225 Soluble
17 D E -1.5296 Soluble
18 R E -2.1714 Soluble
19 V E 0.0000 Buried
20 T E -0.6291 Soluble
21 I E 0.0000 Buried
22 T E -0.7406 Soluble
23 C E 0.0000 Buried
24 R E -2.4159 Soluble
25 A E 0.0000 Buried
26 S E -1.7277 Soluble
27 Q E -1.7525 Soluble
28 S E -1.0898 Soluble
29 I E 0.0000 Buried
36 S E -0.4521 Soluble
37 S E 0.0610 Aggregation-prone
38 Y E 0.7009 Aggregation-prone
39 L E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E -0.7892 Soluble
44 Q E 0.0000 Buried
45 K E -1.7722 Soluble
46 P E -1.3120 Soluble
47 G E -1.7079 Soluble
48 K E -2.6517 Soluble
49 A E -1.6458 Soluble
50 P E 0.0000 Buried
51 K E -1.5476 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E 0.5797 Aggregation-prone
56 A E 0.7320 Aggregation-prone
57 A E 0.0000 Buried
65 S E -0.1801 Soluble
66 S E 0.4469 Aggregation-prone
67 L E 0.6923 Aggregation-prone
68 Q E 0.0000 Buried
69 S E -0.3017 Soluble
70 G E -0.6498 Soluble
71 V E 0.0000 Buried
72 P E -0.3837 Soluble
74 S E -0.4045 Soluble
75 R E -0.6023 Soluble
76 F E 0.0000 Buried
77 S E -0.2217 Soluble
78 G E -0.2324 Soluble
79 S E -0.6125 Soluble
80 G E -1.0148 Soluble
83 S E -1.0226 Soluble
84 G E -1.2173 Soluble
85 T E -1.5132 Soluble
86 D E -1.6988 Soluble
87 F E 0.0000 Buried
88 T E -0.6737 Soluble
89 L E 0.0000 Buried
90 T E -0.5816 Soluble
91 I E 0.0000 Buried
92 T E -1.1889 Soluble
93 S E -0.9200 Soluble
94 L E 0.0000 Buried
95 Q E -0.8423 Soluble
96 P E -0.6987 Soluble
97 E E -1.8936 Soluble
98 D E 0.0000 Buried
99 F E -0.6787 Soluble
100 A E 0.0000 Buried
101 T E 0.0000 Buried
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 S E 0.0000 Buried
108 Y E 0.8006 Aggregation-prone
109 S E -0.0905 Soluble
114 T E -0.5725 Soluble
115 P E -0.8952 Soluble
116 R E -0.3548 Soluble
117 T E -0.6476 Soluble
118 F E -0.4411 Soluble
119 G E -0.8394 Soluble
120 Q E -1.7866 Soluble
121 G E -1.4217 Soluble
122 T E 0.0000 Buried
123 K E -2.3831 Soluble
124 V E 0.0000 Buried
125 E E -1.2796 Soluble
126 I E 1.3223 Aggregation-prone

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 -0.6663 2.6025 CSV PDB
4.5 -0.6933 2.6032 CSV PDB
5.0 -0.7244 2.6053 CSV PDB
5.5 -0.7524 2.6115 CSV PDB
6.0 -0.7697 2.6271 CSV PDB
6.5 -0.7701 2.6579 CSV PDB
7.0 -0.7533 2.7029 CSV PDB
7.5 -0.7249 2.7558 CSV PDB
8.0 -0.6901 2.8118 CSV PDB
8.5 -0.6511 2.8689 CSV PDB
9.0 -0.6093 2.9259 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH