Simaravibart / 7s6j

A4DAB240_7s6j_C_D | Source PDB: 7s6j | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5435
Max Score
1.8319
Min Score
-2.989
Total Score
-122.28
Score CDR
-0.1563
Score non-CDR
-0.6485

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGLEWMGRIIPILDRVMYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARRAIDSDTYVEQSHFDYWGQGTLVTVEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPSLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQPLTFGGGTKVEIK input.pdb
Selected Chain(s) C (Heavy), D (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 -2.989
Maximum Score 1.8319
Average Score -0.5435
Total Score -122.284

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

Index Residue Chain A4D Score Classification
2 V C 0.9597 Aggregation-prone
3 Q C 0.0054 Aggregation-prone
4 L C 0.0000 Buried
5 V C 1.0129 Aggregation-prone
6 Q C 0.0691 Aggregation-prone
7 S C -0.5222 Soluble
8 G C -0.6427 Soluble
9 A C -0.4281 Soluble
11 E C -0.8271 Soluble
12 V C 0.7326 Aggregation-prone
13 K C -0.9128 Soluble
14 K C -1.8988 Soluble
15 P C -1.8899 Soluble
16 G C -1.5801 Soluble
17 S C -1.3906 Soluble
18 S C -1.3402 Soluble
19 V C 0.0000 Buried
20 K C -1.5898 Soluble
21 V C -0.8582 Soluble
22 S C -0.4231 Soluble
23 C C 0.0000 Buried
24 K C -0.8579 Soluble
25 A C 0.0000 Buried
26 S C -0.3898 Soluble
27 G C -0.5267 Soluble
28 G C -0.4722 Soluble
29 T C 0.0000 Buried
30 F C -0.2935 Soluble
35 S C -0.0920 Soluble
36 S C -0.0092 Soluble
37 Y C 0.4297 Aggregation-prone
38 T C 0.0000 Buried
39 I C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.4675 Soluble
45 A C -0.7012 Soluble
46 P C -0.8289 Soluble
47 G C -1.0850 Soluble
48 Q C -1.3940 Soluble
49 G C -0.8473 Soluble
50 L C 0.0000 Buried
51 E C -0.7549 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 R C 0.0000 Buried
56 I C 0.0000 Buried
57 I C 0.0000 Buried
58 P C 0.0000 Buried
59 I C 0.7945 Aggregation-prone
62 L C -0.2222 Soluble
63 D C -1.7752 Soluble
64 R C -1.6710 Soluble
65 V C -0.4100 Soluble
66 M C 0.1789 Aggregation-prone
67 Y C -0.4908 Soluble
68 A C 0.0000 Buried
69 Q C -2.7140 Soluble
70 K C -2.9652 Soluble
71 F C 0.0000 Buried
72 Q C -2.1029 Soluble
74 G C -1.5468 Soluble
75 R C -1.3748 Soluble
76 V C 0.0000 Buried
77 T C -0.5424 Soluble
78 I C 0.0000 Buried
79 T C -0.8114 Soluble
80 A C -1.3102 Soluble
81 D C -2.7146 Soluble
82 K C -2.3845 Soluble
83 S C -1.6578 Soluble
84 T C -1.3970 Soluble
85 S C 0.0000 Buried
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.5006 Soluble
89 M C 0.0000 Buried
90 E C -1.0541 Soluble
91 L C 0.0000 Buried
92 S C -1.1294 Soluble
93 S C -1.3866 Soluble
94 L C 0.0000 Buried
95 R C -2.9890 Soluble
96 S C -1.9881 Soluble
97 E C -2.5249 Soluble
98 D C -1.6950 Soluble
99 T C -0.5499 Soluble
100 A C 0.0000 Buried
101 V C 0.5284 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.0621 Soluble
107 R C 0.0000 Buried
108 A C 0.0702 Aggregation-prone
109 I C 0.2512 Aggregation-prone
110 D C -0.1405 Soluble
111 S C -0.3156 Soluble
111A D C -1.2939 Soluble
111B T C 0.0450 Aggregation-prone
112C Y C 1.2882 Aggregation-prone
112B V C 1.8319 Aggregation-prone
112A E C 0.6517 Aggregation-prone
112 Q C 0.0000 Buried
113 S C 0.3265 Aggregation-prone
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.5602 Soluble
117 Y C 0.1026 Aggregation-prone
118 W C 0.0000 Buried
119 G C -0.1890 Soluble
120 Q C -0.7453 Soluble
121 G C -0.1997 Soluble
122 T C 0.0000 Buried
123 L C 0.5986 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.1173 Soluble
126 V C -0.1638 Soluble
1 E D -1.6746 Soluble
2 I D 0.0440 Aggregation-prone
3 V D 0.8846 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.5588 Soluble
6 Q D -0.9062 Soluble
7 S D -0.7085 Soluble
8 P D -0.3311 Soluble
9 A D -0.3407 Soluble
10 T D -0.6938 Soluble
11 L D -0.4508 Soluble
12 S D -0.8344 Soluble
13 L D 0.0000 Buried
14 S D -1.0366 Soluble
15 P D -1.4633 Soluble
16 G D -1.6570 Soluble
17 E D -2.1689 Soluble
18 R D -2.5902 Soluble
19 A D 0.0000 Buried
20 T D -0.6322 Soluble
21 L D 0.0000 Buried
22 S D -0.9933 Soluble
23 C D 0.0000 Buried
24 R D -2.5873 Soluble
25 A D -1.3177 Soluble
26 S D -0.7456 Soluble
27 Q D -1.2675 Soluble
28 S D -1.2619 Soluble
29 V D 0.0000 Buried
36 S D -0.7064 Soluble
37 S D -0.6290 Soluble
38 Y D 0.1840 Aggregation-prone
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -0.3923 Soluble
44 Q D -0.8015 Soluble
45 K D -1.2353 Soluble
46 P D -0.9241 Soluble
47 G D -1.0076 Soluble
48 Q D -1.0049 Soluble
49 A D 0.0000 Buried
50 P D 0.0000 Buried
51 S D -0.3846 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.5970 Soluble
56 D D -0.9225 Soluble
57 A D 0.0000 Buried
65 S D -1.0271 Soluble
66 N D -1.4542 Soluble
67 R D -1.3513 Soluble
68 A D 0.0000 Buried
69 T D -0.5292 Soluble
70 G D -0.4579 Soluble
71 I D -0.1954 Soluble
72 P D -0.2925 Soluble
74 A D -0.3305 Soluble
75 R D -0.8292 Soluble
76 F D 0.0000 Buried
77 S D -0.6282 Soluble
78 G D -0.7055 Soluble
79 S D -0.9544 Soluble
80 G D -1.3682 Soluble
83 S D -1.3244 Soluble
84 G D -1.3286 Soluble
85 T D -2.0622 Soluble
86 D D -2.8849 Soluble
87 F D 0.0000 Buried
88 T D -0.9525 Soluble
89 L D 0.0000 Buried
90 T D -0.6085 Soluble
91 I D 0.0000 Buried
92 S D -1.2980 Soluble
93 S D -1.7081 Soluble
94 L D 0.0000 Buried
95 E D -2.0991 Soluble
96 P D -1.4344 Soluble
97 E D -2.2196 Soluble
98 D D 0.0000 Buried
99 F D -0.7682 Soluble
100 A D 0.0000 Buried
101 V D -0.7192 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 P D 0.0158 Aggregation-prone
116 L D 0.1637 Aggregation-prone
117 T D 0.0000 Buried
118 F D 0.1287 Aggregation-prone
119 G D -0.1309 Soluble
120 G D -0.5485 Soluble
121 G D -0.6936 Soluble
122 T D 0.0000 Buried
123 K D -1.3065 Soluble
124 V D 0.0000 Buried
125 E D -1.0901 Soluble
126 I D 0.4372 Aggregation-prone
127 K D -1.1731 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.5149 2.1703 CSV PDB
4.5 -0.5632 2.0681 CSV PDB
5.0 -0.6226 1.9395 CSV PDB
5.5 -0.6829 1.817 CSV PDB
6.0 -0.7333 1.81 CSV PDB
6.5 -0.7651 1.803 CSV PDB
7.0 -0.7765 1.7961 CSV PDB
7.5 -0.773 1.7895 CSV PDB
8.0 -0.7607 1.7835 CSV PDB
8.5 -0.7419 1.7967 CSV PDB
9.0 -0.716 1.8714 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH