Atoltivimab / 7tn9

A4DAB028_7tn9_I_J | Source PDB: 7tn9 | Chains: I, J | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5238
Max Score
1.6693
Min Score
-2.8166
Total Score
-105.8
Score CDR
-0.4105
Score non-CDR
-0.5553

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFNNYGMHWVRQAPGMGLEWVAVIWHDGSDKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARNWNLFDYWGQGTLVTPSSTCRASQSISTYLHWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSFSTPPINFGQGTKLEI input.pdb
Selected Chain(s) I (Heavy), J (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 -2.8166
Maximum Score 1.6693
Average Score -0.5238
Total Score -105.8017

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

Index Residue Chain A4D Score Classification
1 Q I -1.2508 Soluble
2 V I -0.5804 Soluble
3 Q I -0.5857 Soluble
4 L I 0.0000 Buried
5 V I 1.3082 Aggregation-prone
6 E I 0.0000 Buried
7 S I -0.3225 Soluble
8 G I -0.8638 Soluble
9 G I -0.1914 Soluble
11 G I 0.9536 Aggregation-prone
12 V I 1.6693 Aggregation-prone
13 V I 0.0531 Aggregation-prone
14 Q I -1.3721 Soluble
15 P I -1.6325 Soluble
16 G I -1.9589 Soluble
17 R I -2.1013 Soluble
18 S I 0.0000 Buried
19 L I -1.2375 Soluble
20 R I -2.1467 Soluble
21 L I 0.0000 Buried
22 S I -0.4065 Soluble
23 C I 0.0000 Buried
24 A I 0.1677 Aggregation-prone
25 A I 0.0000 Buried
26 S I -0.4656 Soluble
27 G I -0.9026 Soluble
28 F I -0.6575 Soluble
29 T I -0.8090 Soluble
30 F I 0.0000 Buried
35 N I -2.6668 Soluble
36 N I -2.2252 Soluble
37 Y I -1.0108 Soluble
38 G I 0.0000 Buried
39 M I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.0693 Soluble
45 A I 0.0000 Buried
46 P I -0.3419 Soluble
47 G I -0.2338 Soluble
48 M I -0.0372 Soluble
49 G I -0.3605 Soluble
50 L I 0.0000 Buried
51 E I -0.9322 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 V I 0.0000 Buried
56 I I 0.0000 Buried
57 W I -0.5369 Soluble
58 H I -1.7962 Soluble
59 D I -2.7366 Soluble
62 G I -1.7305 Soluble
63 S I -0.9944 Soluble
64 D I -0.8063 Soluble
65 K I -0.5437 Soluble
66 Y I -0.2728 Soluble
67 Y I -0.8754 Soluble
68 A I 0.0000 Buried
69 D I -2.3147 Soluble
70 S I -1.5627 Soluble
71 V I 0.0000 Buried
72 K I -2.4095 Soluble
74 G I -1.7073 Soluble
75 R I -1.3905 Soluble
76 F I 0.0000 Buried
77 T I -0.9502 Soluble
78 I I 0.0000 Buried
79 S I -0.7970 Soluble
80 R I -1.6514 Soluble
81 D I -2.6909 Soluble
82 N I -2.8166 Soluble
83 S I -2.0243 Soluble
84 K I -2.5643 Soluble
85 N I -2.1378 Soluble
86 T I 0.0000 Buried
87 L I 0.0000 Buried
88 Y I -0.7088 Soluble
89 L I 0.0000 Buried
90 Q I -1.3650 Soluble
91 M I 0.0000 Buried
92 N I -1.4201 Soluble
93 S I -1.5535 Soluble
94 L I 0.0000 Buried
95 R I -2.5142 Soluble
96 A I -1.6955 Soluble
97 E I -2.1072 Soluble
98 D I 0.0000 Buried
99 T I -0.3896 Soluble
100 A I 0.0000 Buried
101 V I 0.5596 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 N I 0.0186 Aggregation-prone
108 W I 0.0886 Aggregation-prone
109 N I 0.0866 Aggregation-prone
114 L I 0.3612 Aggregation-prone
115 F I 0.0000 Buried
116 D I 0.0000 Buried
117 Y I 0.1130 Aggregation-prone
118 W I -0.4441 Soluble
119 G I 0.0000 Buried
120 Q I -0.8662 Soluble
121 G I -0.4537 Soluble
122 T I 0.0000 Buried
123 L I 1.4032 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.1471 Aggregation-prone
19 P J -0.8398 Soluble
20 S J -0.7380 Soluble
21 S J -0.8156 Soluble
22 T J -0.6447 Soluble
23 C J -1.0897 Soluble
24 R J -2.3557 Soluble
25 A J -1.6933 Soluble
26 S J -1.3532 Soluble
27 Q J -1.5818 Soluble
28 S J -0.9924 Soluble
29 I J 0.0000 Buried
36 S J -0.0093 Soluble
37 T J 0.1785 Aggregation-prone
38 Y J 0.9563 Aggregation-prone
39 L J 0.0000 Buried
40 H J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J 0.0000 Buried
45 K J -1.8589 Soluble
46 P J -1.3272 Soluble
47 G J -1.7336 Soluble
48 K J -2.6413 Soluble
49 A J -1.6726 Soluble
50 P J 0.0000 Buried
51 K J -1.8953 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.7418 Aggregation-prone
56 A J 0.4405 Aggregation-prone
57 A J 0.0000 Buried
65 S J -0.0244 Soluble
66 T J 0.1039 Aggregation-prone
67 L J 0.0858 Aggregation-prone
68 Q J -0.3210 Soluble
69 S J -0.4314 Soluble
70 G J -0.8293 Soluble
71 V J 0.0000 Buried
72 P J -0.6416 Soluble
74 S J -0.6225 Soluble
75 R J -0.6585 Soluble
76 F J 0.0000 Buried
77 S J -0.3986 Soluble
78 G J -0.2492 Soluble
79 S J -0.3401 Soluble
80 G J -0.4395 Soluble
83 S J -0.5817 Soluble
84 G J -0.9825 Soluble
85 T J -1.4358 Soluble
86 D J -1.7989 Soluble
87 F J 0.0000 Buried
88 T J -0.5252 Soluble
89 L J -0.0398 Soluble
90 T J -0.0542 Soluble
91 I J 0.0000 Buried
92 S J -0.2069 Soluble
93 S J 0.1228 Aggregation-prone
94 L J 0.7777 Aggregation-prone
95 Q J 0.0097 Aggregation-prone
96 P J -0.1646 Soluble
97 E J -0.8362 Soluble
98 D J 0.0000 Buried
99 F J -0.2587 Soluble
100 A J 0.0000 Buried
101 T J -0.9933 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J -0.5361 Soluble
105 Q J 0.0000 Buried
106 Q J 0.2054 Aggregation-prone
107 S J 0.7431 Aggregation-prone
108 F J 1.4613 Aggregation-prone
109 S J 0.5662 Aggregation-prone
113 T J 0.0678 Aggregation-prone
114 P J -0.1438 Soluble
115 P J -0.7960 Soluble
116 I J -0.7884 Soluble
117 N J -1.5956 Soluble
118 F J 0.0000 Buried
119 G J -1.0738 Soluble
120 Q J -1.5472 Soluble
121 G J -1.0206 Soluble
122 T J 0.0000 Buried
123 K J -1.2660 Soluble
124 L J -0.5491 Soluble
125 E J -0.8096 Soluble
126 I J 1.2006 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
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 -0.3868 3.1283 CSV PDB
4.5 -0.4187 3.1283 CSV PDB
5.0 -0.4529 3.1283 CSV PDB
5.5 -0.4839 3.1283 CSV PDB
6.0 -0.5055 3.1283 CSV PDB
6.5 -0.5141 3.1283 CSV PDB
7.0 -0.511 3.1282 CSV PDB
7.5 -0.5004 3.1282 CSV PDB
8.0 -0.4849 3.1279 CSV PDB
8.5 -0.4644 3.1272 CSV PDB
9.0 -0.4386 3.125 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH