Teropavimab / 8gje

A4DAB261_8gje_G_J | Source PDB: 8gje | Chains: G, J | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7962
Max Score
1.3374
Min Score
-3.1063
Total Score
-174.36
Score CDR
-0.7461
Score non-CDR
-0.807

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) G (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 -3.1063
Maximum Score 1.3374
Average Score -0.7962
Total Score -174.3621

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

Index Residue Chain A4D Score Classification
1 Q G -1.3786 Soluble
2 V G -0.8450 Soluble
3 Q G -0.9145 Soluble
4 L G 0.0000 Buried
5 L G 0.1088 Aggregation-prone
6 Q G -0.2632 Soluble
7 S G -0.8295 Soluble
8 G G -0.7532 Soluble
9 A G -0.2873 Soluble
11 A G 0.2741 Aggregation-prone
12 V G 1.3374 Aggregation-prone
13 T G -0.2096 Soluble
14 K G -1.8031 Soluble
15 P G -2.2296 Soluble
16 G G -1.7274 Soluble
17 A G -1.5508 Soluble
18 S G -1.8370 Soluble
19 V G 0.0000 Buried
20 R G -2.1564 Soluble
21 V G 0.0000 Buried
22 S G -0.7398 Soluble
23 C G 0.0000 Buried
24 E G -0.9559 Soluble
25 A G 0.0000 Buried
26 S G -1.0487 Soluble
27 G G -1.4290 Soluble
28 Y G -1.2014 Soluble
29 N G -1.4867 Soluble
30 I G 0.0000 Buried
35 R G -2.2379 Soluble
36 D G -2.4557 Soluble
37 Y G -0.9600 Soluble
38 F G -0.0909 Soluble
39 I G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 W G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.7932 Soluble
45 A G -1.1133 Soluble
46 P G -0.8665 Soluble
47 G G -1.2354 Soluble
48 Q G -1.6793 Soluble
49 G G -0.8714 Soluble
50 L G 0.0000 Buried
51 Q G -0.5464 Soluble
52 W G -0.1044 Soluble
53 V G 0.0000 Buried
54 G G 0.0000 Buried
55 W G -0.2912 Soluble
56 I G 0.0000 Buried
57 N G -1.3294 Soluble
58 P G 0.0000 Buried
59 K G -2.5701 Soluble
62 T G -1.5111 Soluble
63 G G -1.5350 Soluble
64 Q G -1.7116 Soluble
65 P G -1.1123 Soluble
66 N G -1.4162 Soluble
67 N G -1.5096 Soluble
68 P G 0.0000 Buried
69 R G -3.0226 Soluble
70 Q G -2.5748 Soluble
71 F G 0.0000 Buried
72 Q G -2.6213 Soluble
74 G G -1.8661 Soluble
75 R G -1.8570 Soluble
76 V G 0.0000 Buried
77 S G -1.0993 Soluble
78 L G 0.0000 Buried
79 T G -0.6807 Soluble
80 R G -1.4045 Soluble
81 H G -1.1904 Soluble
82 A G -0.8014 Soluble
83 S G -0.1955 Soluble
84 W G 0.2370 Aggregation-prone
85 D G -1.0998 Soluble
85A F G -0.2498 Soluble
85B D G -1.6869 Soluble
85C T G -1.1883 Soluble
85D Y G 0.0000 Buried
86 S G -0.7728 Soluble
87 F G 0.0000 Buried
88 Y G -0.7217 Soluble
89 M G 0.0000 Buried
90 D G -1.4298 Soluble
91 L G 0.0000 Buried
92 K G -2.2886 Soluble
93 A G -1.4983 Soluble
94 L G 0.0000 Buried
95 R G -3.1063 Soluble
96 S G -2.2345 Soluble
97 D G -2.4702 Soluble
98 D G 0.0000 Buried
99 T G -0.8609 Soluble
100 A G 0.0000 Buried
101 V G -0.5676 Soluble
102 Y G 0.0000 Buried
103 F G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G 0.0000 Buried
107 Q G -0.5309 Soluble
108 R G -0.9779 Soluble
109 S G -1.0558 Soluble
110 D G -1.6308 Soluble
112 Y G -0.3317 Soluble
113 W G -0.3063 Soluble
114 D G 0.0000 Buried
115 F G 0.0000 Buried
116 D G -0.6433 Soluble
117 V G -0.1577 Soluble
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 S G -0.8791 Soluble
121 G G -0.9013 Soluble
122 T G 0.0000 Buried
123 Q G -0.9840 Soluble
124 V G 0.0000 Buried
125 T G -0.2270 Soluble
126 V G -0.6822 Soluble
1 D J -1.7822 Soluble
2 I J -0.4950 Soluble
3 Q J -1.3889 Soluble
4 M J -0.9317 Soluble
5 T J -0.6935 Soluble
6 Q J -0.6105 Soluble
7 S J -0.5435 Soluble
8 P J -0.6219 Soluble
9 S J -0.8365 Soluble
10 S J -1.2649 Soluble
11 L J -0.9475 Soluble
12 S J -0.8803 Soluble
13 A J -0.1886 Soluble
14 S J 0.0424 Aggregation-prone
15 V J 0.9713 Aggregation-prone
16 G J -0.7449 Soluble
17 D J -1.1201 Soluble
18 T J -0.9770 Soluble
19 V J -0.5210 Soluble
20 T J -0.1486 Soluble
21 I J 0.0000 Buried
22 T J -0.6439 Soluble
23 C J 0.0000 Buried
24 Q J -2.1242 Soluble
25 A J 0.0000 Buried
27 N J -1.9428 Soluble
28 G J -0.4619 Soluble
38 Y J 0.8054 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 0.0000 Buried
44 Q J -1.6579 Soluble
45 R J -2.3999 Soluble
46 R J -2.9148 Soluble
47 G J -2.5825 Soluble
48 K J -2.6100 Soluble
49 A J -1.6833 Soluble
50 P J 0.0000 Buried
51 K J -1.2985 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J -0.4217 Soluble
56 D J -0.7882 Soluble
57 G J -1.1395 Soluble
65 S J -1.8228 Soluble
66 K J -2.0355 Soluble
67 L J -1.0205 Soluble
68 E J -1.4989 Soluble
69 R J -2.2813 Soluble
70 G J -1.4074 Soluble
71 V J 0.0000 Buried
72 P J -0.6504 Soluble
74 S J -0.6686 Soluble
75 R J -1.1249 Soluble
76 F J 0.0000 Buried
77 S J -0.9595 Soluble
78 G J 0.0000 Buried
79 R J -2.9435 Soluble
80 R J -2.9516 Soluble
83 W J -0.9991 Soluble
84 G J -1.3824 Soluble
85 Q J -2.3576 Soluble
86 E J -2.6944 Soluble
87 Y J -2.0571 Soluble
88 N J -1.2872 Soluble
89 L J 0.0000 Buried
90 T J -0.7694 Soluble
91 I J 0.0000 Buried
92 N J -1.8228 Soluble
93 N J -1.9046 Soluble
94 L J 0.0000 Buried
95 Q J -1.0302 Soluble
96 P J -0.8077 Soluble
97 E J -1.7572 Soluble
98 D J 0.0000 Buried
99 I J -0.7126 Soluble
100 A J 0.0000 Buried
101 T J -1.4076 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
107 Y J 0.6594 Aggregation-prone
116 E J -0.0935 Soluble
117 F J 0.9508 Aggregation-prone
118 V J 0.0000 Buried
119 V J 0.1378 Aggregation-prone
120 P J -0.7093 Soluble
121 G J -0.9130 Soluble
122 T J 0.0000 Buried
123 R J -2.2874 Soluble
124 L J 0.0000 Buried
125 D J -1.7728 Soluble
126 L J -0.0053 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 -0.6604 4.1395 CSV PDB
4.5 -0.7067 3.906 CSV PDB
5.0 -0.7616 3.6293 CSV PDB
5.5 -0.8156 3.3391 CSV PDB
6.0 -0.8605 3.0514 CSV PDB
6.5 -0.8923 2.7656 CSV PDB
7.0 -0.9131 2.5477 CSV PDB
7.5 -0.9272 2.5265 CSV PDB
8.0 -0.937 2.5188 CSV PDB
8.5 -0.9415 2.5161 CSV PDB
9.0 -0.9371 2.5149 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH