Teropavimab / 5v8l

A4DAB261_5v8l_I_M | Source PDB: 5v8l | Chains: I, M | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7355
Max Score
1.85
Min Score
-3.1834
Total Score
-161.06
Score CDR
-0.7205
Score non-CDR
-0.7387

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) I (Heavy), M (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 -3.1834
Maximum Score 1.85
Average Score -0.7355
Total Score -161.0645

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

Index Residue Chain A4D Score Classification
1 Q I -0.9983 Soluble
2 V I 0.0236 Aggregation-prone
3 Q I -0.3174 Soluble
4 L I 0.0000 Buried
5 L I 0.5396 Aggregation-prone
6 Q I -0.1729 Soluble
7 S I -0.6430 Soluble
8 G I -0.6542 Soluble
9 A I -0.2316 Soluble
11 A I 0.4057 Aggregation-prone
12 V I 1.4330 Aggregation-prone
13 T I 0.0889 Aggregation-prone
14 K I -1.6567 Soluble
15 P I -1.7199 Soluble
16 G I -1.7487 Soluble
17 A I -1.3147 Soluble
18 S I -1.6964 Soluble
19 V I -0.9584 Soluble
20 R I -1.9998 Soluble
21 V I 0.0000 Buried
22 S I -0.6407 Soluble
23 C I 0.0000 Buried
24 E I -0.8773 Soluble
25 A I -0.7219 Soluble
26 S I -0.8754 Soluble
27 G I -1.2354 Soluble
28 Y I -1.0255 Soluble
29 N I -2.0568 Soluble
30 I I 0.0000 Buried
35 R I -2.3852 Soluble
36 D I -2.6117 Soluble
37 Y I -1.2049 Soluble
38 F I -0.2008 Soluble
39 I I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 W I 0.0000 Buried
43 R I -0.5123 Soluble
44 Q I -0.7478 Soluble
45 A I -1.0887 Soluble
46 P I -0.9089 Soluble
47 G I -1.2112 Soluble
48 Q I -1.7334 Soluble
49 G I -1.0223 Soluble
50 L I -0.2624 Soluble
51 Q I -0.2965 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 G I 0.0000 Buried
55 W I -0.2820 Soluble
56 I I 0.0000 Buried
57 N I -1.5281 Soluble
58 P I 0.0000 Buried
59 K I -2.4728 Soluble
62 T I -1.5817 Soluble
63 G I -1.6728 Soluble
64 Q I -1.9215 Soluble
65 P I -1.1832 Soluble
66 N I -1.5988 Soluble
67 N I -1.7336 Soluble
68 P I -1.9645 Soluble
69 R I -3.0813 Soluble
70 Q I -2.5531 Soluble
71 F I 0.0000 Buried
72 Q I -2.5594 Soluble
74 G I -1.7230 Soluble
75 R I 0.0000 Buried
76 V I -1.1480 Soluble
77 S I -1.0930 Soluble
78 L I 0.0000 Buried
79 T I -0.7742 Soluble
80 R I -1.5445 Soluble
81 H I -1.0242 Soluble
82 A I -0.5052 Soluble
83 S I 0.0042 Aggregation-prone
84 W I 0.5283 Aggregation-prone
85 D I -0.8412 Soluble
85A F I 0.4421 Aggregation-prone
85B D I -1.4366 Soluble
85C T I -0.8931 Soluble
85D Y I 0.0000 Buried
86 S I -0.8150 Soluble
87 F I 0.0000 Buried
88 Y I -0.7277 Soluble
89 M I 0.0000 Buried
90 D I -1.2487 Soluble
91 L I 0.0000 Buried
92 K I -2.3146 Soluble
93 A I -1.5209 Soluble
94 L I 0.0000 Buried
95 R I -2.7778 Soluble
96 S I -2.0884 Soluble
97 D I -2.3268 Soluble
98 D I 0.0000 Buried
99 T I -0.7296 Soluble
100 A I 0.0000 Buried
101 V I -0.4260 Soluble
102 Y I 0.0000 Buried
103 F I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 Q I 0.0000 Buried
108 R I -0.9617 Soluble
109 S I -1.1560 Soluble
110 D I -1.5359 Soluble
112 Y I -0.3026 Soluble
113 W I -0.2468 Soluble
114 D I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.7960 Soluble
117 V I -0.3163 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 S I -0.7026 Soluble
121 G I -0.6693 Soluble
122 T I 0.0000 Buried
123 Q I -0.8073 Soluble
124 V I 0.0000 Buried
125 T I -0.0094 Soluble
126 V I -0.3713 Soluble
1 D M -1.9355 Soluble
2 I M -0.7272 Soluble
3 Q M -1.5474 Soluble
4 M M -0.8330 Soluble
5 T M -0.6656 Soluble
6 Q M -0.4852 Soluble
7 S M -0.4714 Soluble
8 P M -0.4802 Soluble
9 S M -0.6980 Soluble
10 S M -0.8835 Soluble
11 L M -0.2283 Soluble
12 S M 0.0900 Aggregation-prone
13 A M 0.2774 Aggregation-prone
14 S M 0.2456 Aggregation-prone
15 V M 0.7528 Aggregation-prone
16 G M -0.7888 Soluble
17 D M -1.1743 Soluble
18 T M -1.1212 Soluble
19 V M -0.3624 Soluble
20 T M -0.2411 Soluble
21 I M 0.0000 Buried
22 T M -1.0454 Soluble
23 C M 0.0000 Buried
24 Q M -2.0090 Soluble
25 A M 0.0000 Buried
27 N M -1.7544 Soluble
28 G M -0.8496 Soluble
38 Y M 0.1023 Aggregation-prone
39 L M 0.0000 Buried
40 N M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 R M -2.5669 Soluble
46 R M -2.9586 Soluble
47 G M -2.4108 Soluble
48 K M -2.9731 Soluble
49 A M -1.7385 Soluble
50 P M 0.0000 Buried
51 K M -1.9613 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.3480 Soluble
56 D M -0.6911 Soluble
57 G M 0.0000 Buried
65 S M -1.9210 Soluble
66 K M -2.1314 Soluble
67 L M -1.0819 Soluble
68 E M -1.5990 Soluble
69 R M -2.2473 Soluble
70 G M -1.3067 Soluble
71 V M -1.0755 Soluble
72 P M -0.7105 Soluble
74 S M -0.5368 Soluble
75 R M -1.0818 Soluble
76 F M 0.0000 Buried
77 S M -1.0555 Soluble
78 G M -1.8975 Soluble
79 R M -3.1834 Soluble
80 R M -3.0251 Soluble
83 W M -1.1037 Soluble
84 G M -1.4513 Soluble
85 Q M -2.3118 Soluble
86 E M -2.5978 Soluble
87 Y M 0.0000 Buried
88 N M -1.7108 Soluble
89 L M 0.0000 Buried
90 T M -0.7610 Soluble
91 I M 0.0000 Buried
92 N M -1.7742 Soluble
93 N M -1.8650 Soluble
94 L M 0.0000 Buried
95 Q M -1.1145 Soluble
96 P M -0.7157 Soluble
97 E M -1.8929 Soluble
98 D M 0.0000 Buried
99 I M -0.7225 Soluble
100 A M 0.0000 Buried
101 T M -1.0929 Soluble
102 Y M 0.0000 Buried
103 F M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 V M 0.0000 Buried
116 Y M 0.8569 Aggregation-prone
117 E M 0.7026 Aggregation-prone
118 F M 1.8500 Aggregation-prone
119 V M 1.0706 Aggregation-prone
120 V M 0.4384 Aggregation-prone
121 P M -0.4744 Soluble
122 G M -0.7862 Soluble
123 T M 0.0000 Buried
124 R M -1.3484 Soluble
125 L M 0.0000 Buried
126 D M -0.1262 Soluble
127 L M 1.4336 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 -0.5738 5.0315 CSV PDB
4.5 -0.6144 4.7683 CSV PDB
5.0 -0.6636 4.5247 CSV PDB
5.5 -0.7137 4.4442 CSV PDB
6.0 -0.7559 4.3618 CSV PDB
6.5 -0.7838 4.2905 CSV PDB
7.0 -0.7978 4.2419 CSV PDB
7.5 -0.8038 4.2175 CSV PDB
8.0 -0.8053 4.208 CSV PDB
8.5 -0.8019 4.2046 CSV PDB
9.0 -0.7913 4.2031 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH