Teropavimab / 7pc2

A4DAB261_7pc2_I_J | Source PDB: 7pc2 | Chains: I, J | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7252
Max Score
1.4972
Min Score
-3.2067
Total Score
-158.81
Score CDR
-0.6506
Score non-CDR
-0.7413

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL 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 -3.2067
Maximum Score 1.4972
Average Score -0.7252
Total Score -158.8148

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

Index Residue Chain A4D Score Classification
1 Q I -1.1893 Soluble
2 V I -0.3741 Soluble
3 Q I -0.6541 Soluble
4 L I 0.0000 Buried
5 L I 0.4608 Aggregation-prone
6 Q I -0.1677 Soluble
7 S I -0.7141 Soluble
8 G I -0.8008 Soluble
9 A I -0.2321 Soluble
11 A I 0.4621 Aggregation-prone
12 V I 1.4972 Aggregation-prone
13 T I 0.1667 Aggregation-prone
14 K I -1.5591 Soluble
15 P I -1.3450 Soluble
16 G I -1.4717 Soluble
17 A I -1.1769 Soluble
18 S I -1.4355 Soluble
19 V I -0.8267 Soluble
20 R I -1.9560 Soluble
21 V I 0.0000 Buried
22 S I -0.6323 Soluble
23 C I 0.0000 Buried
24 E I -0.8534 Soluble
25 A I 0.0000 Buried
26 S I -1.1144 Soluble
27 G I -1.1891 Soluble
28 Y I -1.2476 Soluble
29 N I -2.0926 Soluble
30 I I 0.0000 Buried
35 R I -2.4767 Soluble
36 D I -2.4882 Soluble
37 Y I -0.8443 Soluble
38 F I 0.0826 Aggregation-prone
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 -0.6607 Soluble
44 Q I -0.9153 Soluble
45 A I -1.1959 Soluble
46 P I -0.8663 Soluble
47 G I -1.2428 Soluble
48 Q I -1.7263 Soluble
49 G I -0.8522 Soluble
50 L I -0.4335 Soluble
51 Q I -0.5729 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 G I 0.0000 Buried
55 W I -0.1438 Soluble
56 I I 0.0000 Buried
57 N I -1.2775 Soluble
58 P I 0.0000 Buried
59 K I -2.4592 Soluble
62 T I -1.5221 Soluble
63 G I -1.4831 Soluble
64 Q I -1.7538 Soluble
65 P I -1.0429 Soluble
66 N I -1.4680 Soluble
67 N I -1.5392 Soluble
68 P I -1.8895 Soluble
69 R I -3.0172 Soluble
70 Q I -2.5793 Soluble
71 F I 0.0000 Buried
72 Q I -2.6163 Soluble
74 G I -1.8135 Soluble
75 R I -1.5652 Soluble
76 V I 0.0000 Buried
77 S I -1.0777 Soluble
78 L I 0.0000 Buried
79 T I -0.7161 Soluble
80 R I -1.3723 Soluble
81 H I -1.1240 Soluble
82 A I -0.5092 Soluble
83 S I -0.1513 Soluble
84 W I 0.5584 Aggregation-prone
85 D I -0.8938 Soluble
85A F I 0.3541 Aggregation-prone
85B D I -1.5956 Soluble
85C T I -0.9966 Soluble
85D Y I 0.0000 Buried
86 S I -0.7237 Soluble
87 F I 0.0000 Buried
88 Y I -0.6878 Soluble
89 M I 0.0000 Buried
90 D I -1.3696 Soluble
91 L I 0.0000 Buried
92 K I -2.0685 Soluble
93 A I -1.2650 Soluble
94 L I 0.0000 Buried
95 R I -2.2463 Soluble
96 S I -1.7581 Soluble
97 D I -2.1635 Soluble
98 D I 0.0000 Buried
99 T I -0.6901 Soluble
100 A I 0.0000 Buried
101 V I -0.5608 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 -0.3365 Soluble
108 R I -0.8089 Soluble
109 S I -0.9465 Soluble
110 D I -1.5665 Soluble
112 Y I -0.2235 Soluble
113 W I -0.0938 Soluble
114 D I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.5327 Soluble
117 V I -0.2130 Soluble
118 W I -0.2675 Soluble
119 G I 0.0000 Buried
120 S I -0.6824 Soluble
121 G I -0.7752 Soluble
122 T I 0.0000 Buried
123 Q I -0.9999 Soluble
124 V I 0.0000 Buried
125 T I 0.0295 Aggregation-prone
126 V I 0.0471 Aggregation-prone
1 D J -1.9537 Soluble
2 I J -0.9496 Soluble
3 Q J -1.5024 Soluble
4 M J -0.6812 Soluble
5 T J -0.7093 Soluble
6 Q J -0.5975 Soluble
7 S J -0.5188 Soluble
8 P J -0.5471 Soluble
9 S J -0.7773 Soluble
10 S J -1.1188 Soluble
11 L J -0.5042 Soluble
12 S J -0.4819 Soluble
13 A J 0.0421 Aggregation-prone
14 S J 0.4908 Aggregation-prone
15 V J 0.5156 Aggregation-prone
16 G J -1.0840 Soluble
17 D J -1.6658 Soluble
18 T J -1.1918 Soluble
19 V J -0.5005 Soluble
20 T J -0.0360 Soluble
21 I J 0.0000 Buried
22 T J -0.8350 Soluble
23 C J 0.0000 Buried
24 Q J -1.9295 Soluble
25 A J 0.0000 Buried
27 N J -1.7784 Soluble
28 G J -0.8224 Soluble
38 Y J 0.7775 Aggregation-prone
39 L J 0.0000 Buried
40 N J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J -1.0944 Soluble
44 Q J 0.0000 Buried
45 R J -3.0715 Soluble
46 R J -3.2067 Soluble
47 G J -2.5165 Soluble
48 K J -3.1537 Soluble
49 A J -1.8413 Soluble
50 P J 0.0000 Buried
51 K J -2.0610 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.0466 Aggregation-prone
56 D J -0.4071 Soluble
57 G J 0.0000 Buried
65 S J -1.5305 Soluble
66 K J -1.2287 Soluble
67 L J -0.5610 Soluble
68 E J -1.2946 Soluble
69 R J -2.0867 Soluble
70 G J -1.2807 Soluble
71 V J -0.5889 Soluble
72 P J -0.5662 Soluble
74 S J -0.5028 Soluble
75 R J -1.0476 Soluble
76 F J 0.0000 Buried
77 S J -0.9170 Soluble
78 G J -1.6541 Soluble
79 R J -2.8017 Soluble
80 R J -2.7799 Soluble
83 W J -0.7456 Soluble
84 G J -1.0663 Soluble
85 Q J -2.1006 Soluble
86 E J -1.9921 Soluble
87 Y J 0.0000 Buried
88 N J 0.0000 Buried
89 L J 0.0000 Buried
90 T J -0.5216 Soluble
91 I J 0.0000 Buried
92 N J -1.7248 Soluble
93 N J -2.0131 Soluble
94 L J 0.0000 Buried
95 Q J -1.1601 Soluble
96 P J -0.6810 Soluble
97 E J -1.3985 Soluble
98 D J 0.0000 Buried
99 I J -0.6736 Soluble
100 A J -1.5705 Soluble
101 T J -1.4674 Soluble
102 Y J 0.0000 Buried
103 F J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 V J 0.0000 Buried
116 Y J 1.0806 Aggregation-prone
117 E J 0.4423 Aggregation-prone
118 F J 1.3791 Aggregation-prone
119 V J 0.9027 Aggregation-prone
120 V J 0.2174 Aggregation-prone
121 P J -0.8360 Soluble
122 G J -0.9000 Soluble
123 T J 0.0000 Buried
124 R J -2.2602 Soluble
125 L J 0.0000 Buried
126 D J -1.0609 Soluble
127 L J 1.0767 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
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 -0.5767 4.5431 CSV PDB
4.5 -0.6207 4.1741 CSV PDB
5.0 -0.6717 3.7735 CSV PDB
5.5 -0.7219 3.4847 CSV PDB
6.0 -0.764 3.2061 CSV PDB
6.5 -0.7944 3.0242 CSV PDB
7.0 -0.8145 2.9892 CSV PDB
7.5 -0.8286 2.9721 CSV PDB
8.0 -0.8383 2.9654 CSV PDB
8.5 -0.8419 2.963 CSV PDB
9.0 -0.8358 2.9618 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH