Atoltivimab / 7tn9

A4DAB028_7tn9_G_H | Source PDB: 7tn9 | Chains: G, H | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6035
Max Score
2.0664
Min Score
-3.2299
Total Score
-133.98
Score CDR
-0.4341
Score non-CDR
-0.6454

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFNNYGMHWVRQAPGMGLEWVAVIWHDGSDKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARNWNLFDYWGQGTLVTVSIQMTQSPSSLSASVGDRITITCRASQSISTYLHWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSFSTPPINFGQGTKLEIK input.pdb
Selected Chain(s) G (Heavy), H (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 -3.2299
Maximum Score 2.0664
Average Score -0.6035
Total Score -133.9758

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

Index Residue Chain A4D Score Classification
1 Q G -1.4640 Soluble
2 V G -0.8922 Soluble
3 Q G -1.3960 Soluble
4 L G 0.0000 Buried
5 V G -0.1170 Soluble
6 E G 0.0000 Buried
7 S G -0.4517 Soluble
8 G G -0.6405 Soluble
9 G G 0.0000 Buried
11 G G 0.6661 Aggregation-prone
12 V G 1.4857 Aggregation-prone
13 V G -0.2705 Soluble
14 Q G -1.5144 Soluble
15 P G -1.8162 Soluble
16 G G -1.9592 Soluble
17 R G -2.2945 Soluble
18 S G -1.9508 Soluble
19 L G -1.4999 Soluble
20 R G -2.2983 Soluble
21 L G 0.0000 Buried
22 S G -0.5978 Soluble
23 C G 0.0000 Buried
24 A G -0.3212 Soluble
25 A G -0.5692 Soluble
26 S G -0.7161 Soluble
27 G G -0.9248 Soluble
28 F G -0.6439 Soluble
29 T G -0.9205 Soluble
30 F G 0.0000 Buried
35 N G -2.8372 Soluble
36 N G -2.3082 Soluble
37 Y G -1.0334 Soluble
38 G G 0.0000 Buried
39 M G 0.0000 Buried
40 H 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 -0.0776 Soluble
45 A G -0.1467 Soluble
46 P G -0.0709 Soluble
47 G G -0.2186 Soluble
48 M G 0.4051 Aggregation-prone
49 G G -0.3117 Soluble
50 L G 0.0000 Buried
51 E G -0.9961 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 A G 0.0000 Buried
55 V G 0.0000 Buried
56 I G 0.0000 Buried
57 W G -0.9446 Soluble
58 H G -2.0590 Soluble
59 D G -2.9656 Soluble
62 G G -1.8566 Soluble
63 S G -1.3473 Soluble
64 D G -1.4406 Soluble
65 K G -0.8897 Soluble
66 Y G -0.3199 Soluble
67 Y G -0.8140 Soluble
68 A G 0.0000 Buried
69 D G -2.4475 Soluble
70 S G -1.6573 Soluble
71 V G 0.0000 Buried
72 K G -2.5472 Soluble
74 G G -1.8095 Soluble
75 R G -1.5588 Soluble
76 F G 0.0000 Buried
77 T G -1.0140 Soluble
78 I G 0.0000 Buried
79 S G -0.7127 Soluble
80 R G -1.5214 Soluble
81 D G -2.2518 Soluble
82 N G -3.2299 Soluble
83 S G -2.1172 Soluble
84 K G -2.5058 Soluble
85 N G -2.0395 Soluble
86 T G -1.1532 Soluble
87 L G 0.0000 Buried
88 Y G -0.7304 Soluble
89 L G 0.0000 Buried
90 Q G -1.7117 Soluble
91 M G 0.0000 Buried
92 N G -1.7849 Soluble
93 S G -1.5140 Soluble
94 L G 0.0000 Buried
95 R G -2.4337 Soluble
96 A G -1.7911 Soluble
97 E G -2.2317 Soluble
98 D G 0.0000 Buried
99 T G -0.3999 Soluble
100 A G 0.0000 Buried
101 V G 0.5818 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 N G -0.1128 Soluble
108 W G 0.0384 Aggregation-prone
109 N G 0.1821 Aggregation-prone
114 L G 0.3161 Aggregation-prone
115 F G 0.0000 Buried
116 D G 0.0000 Buried
117 Y G -0.1283 Soluble
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.4085 Soluble
121 G G -0.6119 Soluble
122 T G 0.3497 Aggregation-prone
123 L G 1.5008 Aggregation-prone
124 V G 0.0000 Buried
125 T G 0.3167 Aggregation-prone
126 V G 0.0000 Buried
127 S G -0.4582 Soluble
2 I H 0.4878 Aggregation-prone
3 Q H -1.3500 Soluble
4 M H 0.0000 Buried
5 T H -1.4362 Soluble
6 Q H 0.0000 Buried
7 S H -0.8810 Soluble
8 P H -0.6264 Soluble
9 S H -0.8702 Soluble
10 S H -1.1588 Soluble
11 L H -0.6807 Soluble
12 S H -0.8419 Soluble
13 A H 0.0000 Buried
14 S H -0.5456 Soluble
15 V H 0.1353 Aggregation-prone
16 G H -0.6053 Soluble
17 D H -1.4680 Soluble
18 R H -2.2086 Soluble
19 I H 0.0000 Buried
20 T H -0.5374 Soluble
21 I H 0.0000 Buried
22 T H -0.7548 Soluble
23 C H 0.0000 Buried
24 R H -2.2663 Soluble
25 A H 0.0000 Buried
26 S H -1.3523 Soluble
27 Q H -1.4230 Soluble
28 S H -0.8383 Soluble
29 I H 0.0000 Buried
36 S H -0.0463 Soluble
37 T H 0.2912 Aggregation-prone
38 Y H 1.3465 Aggregation-prone
39 L H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 Y H 0.0000 Buried
43 Q H 0.0000 Buried
44 Q H 0.0000 Buried
45 K H -1.9286 Soluble
46 P H -1.4703 Soluble
47 G H -1.7389 Soluble
48 K H -2.6502 Soluble
49 A H -1.8047 Soluble
50 P H 0.0000 Buried
51 K H -1.8549 Soluble
52 L H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H 0.8117 Aggregation-prone
56 A H 0.5790 Aggregation-prone
57 A H 0.0000 Buried
65 S H -0.0183 Soluble
66 T H 0.1512 Aggregation-prone
67 L H 0.3105 Aggregation-prone
68 Q H -0.2280 Soluble
69 S H -0.3998 Soluble
70 G H -0.5017 Soluble
71 V H -0.3902 Soluble
72 P H -0.3180 Soluble
74 S H -0.4560 Soluble
75 R H -0.6075 Soluble
76 F H 0.0000 Buried
77 S H -0.3408 Soluble
78 G H -0.3148 Soluble
79 S H -0.5960 Soluble
80 G H -0.6613 Soluble
83 S H -0.7098 Soluble
84 G H -1.0180 Soluble
85 T H -1.6147 Soluble
86 D H -2.1011 Soluble
87 F H 0.0000 Buried
88 T H -0.7178 Soluble
89 L H 0.0000 Buried
90 T H -0.5553 Soluble
91 I H 0.0000 Buried
92 S H -1.1845 Soluble
93 S H -1.1662 Soluble
94 L H 0.0000 Buried
95 Q H -1.1207 Soluble
96 P H -0.7890 Soluble
97 E H -1.6373 Soluble
98 D H 0.0000 Buried
99 F H -0.7614 Soluble
100 A H 0.0000 Buried
101 T H -1.2228 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 Q H 0.0000 Buried
106 Q H 0.0000 Buried
107 S H 0.0000 Buried
108 F H 2.0664 Aggregation-prone
109 S H 0.8286 Aggregation-prone
113 T H 0.0000 Buried
114 P H -0.0600 Soluble
115 P H -0.4244 Soluble
116 I H 0.0000 Buried
117 N H -1.5264 Soluble
118 F H 0.0000 Buried
119 G H -1.4177 Soluble
120 Q H -1.6838 Soluble
121 G H -1.2654 Soluble
122 T H 0.0000 Buried
123 K H -2.1481 Soluble
124 L H 0.0000 Buried
125 E H -1.1753 Soluble
126 I H 0.4382 Aggregation-prone
127 K H -1.0146 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 -0.6286 4.4095 CSV PDB
4.5 -0.6619 4.4095 CSV PDB
5.0 -0.6977 4.4095 CSV PDB
5.5 -0.73 4.4095 CSV PDB
6.0 -0.7519 4.4095 CSV PDB
6.5 -0.7579 4.4095 CSV PDB
7.0 -0.7496 4.4095 CSV PDB
7.5 -0.7326 4.4095 CSV PDB
8.0 -0.71 4.4093 CSV PDB
8.5 -0.682 4.4088 CSV PDB
9.0 -0.6489 4.4072 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH