Simaravibart / 7s6j

A4DAB240_7s6j_F_G | Source PDB: 7s6j | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5411
Max Score
1.8359
Min Score
-2.9883
Total Score
-121.75
Score CDR
-0.1564
Score non-CDR
-0.6454

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGLEWMGRIIPILDRVMYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARRAIDSDTYVEQSHFDYWGQGTLVTVEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPSLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQPLTFGGGTKVEIK input.pdb
Selected Chain(s) F (Heavy), G (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 -2.9883
Maximum Score 1.8359
Average Score -0.5411
Total Score -121.7467

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

Index Residue Chain A4D Score Classification
2 V F 0.9592 Aggregation-prone
3 Q F 0.0050 Aggregation-prone
4 L F 0.0000 Buried
5 V F 1.0129 Aggregation-prone
6 Q F 0.0691 Aggregation-prone
7 S F -0.5222 Soluble
8 G F -0.6427 Soluble
9 A F -0.4281 Soluble
11 E F -0.8266 Soluble
12 V F 0.7342 Aggregation-prone
13 K F -0.9099 Soluble
14 K F -1.8970 Soluble
15 P F -1.8881 Soluble
16 G F -1.5793 Soluble
17 S F -1.3899 Soluble
18 S F -1.3394 Soluble
19 V F 0.0000 Buried
20 K F -1.5890 Soluble
21 V F -0.8576 Soluble
22 S F -0.4228 Soluble
23 C F 0.0000 Buried
24 K F -0.8580 Soluble
25 A F 0.0000 Buried
26 S F -0.3898 Soluble
27 G F -0.5267 Soluble
28 G F -0.4722 Soluble
29 T F 0.0000 Buried
30 F F -0.2935 Soluble
35 S F -0.0921 Soluble
36 S F -0.0057 Soluble
37 Y F 0.4349 Aggregation-prone
38 T F 0.0000 Buried
39 I F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.4674 Soluble
45 A F -0.7012 Soluble
46 P F -0.8288 Soluble
47 G F -1.0850 Soluble
48 Q F -1.3940 Soluble
49 G F -0.8472 Soluble
50 L F 0.0000 Buried
51 E F -0.7550 Soluble
52 W F 0.0000 Buried
53 M F 0.0000 Buried
54 G F 0.0000 Buried
55 R F 0.0000 Buried
56 I F 0.0000 Buried
57 I F 0.0000 Buried
58 P F 0.0000 Buried
59 I F 0.7978 Aggregation-prone
62 L F -0.2159 Soluble
63 D F -1.7674 Soluble
64 R F -1.6542 Soluble
65 V F -0.3993 Soluble
66 M F 0.1885 Aggregation-prone
67 Y F -0.4880 Soluble
68 A F 0.0000 Buried
69 Q F -2.7134 Soluble
70 K F -2.9652 Soluble
71 F F 0.0000 Buried
72 Q F -2.1020 Soluble
74 G F -1.5467 Soluble
75 R F -1.3744 Soluble
76 V F 0.0000 Buried
77 T F -0.5410 Soluble
78 I F 0.0000 Buried
79 T F -0.8094 Soluble
80 A F -1.3101 Soluble
81 D F -2.7146 Soluble
82 K F -2.3845 Soluble
83 S F -1.6581 Soluble
84 T F -1.3972 Soluble
85 S F 0.0000 Buried
86 T F 0.0000 Buried
87 A F 0.0000 Buried
88 Y F -0.5000 Soluble
89 M F 0.0000 Buried
90 E F -1.0519 Soluble
91 L F 0.0000 Buried
92 S F -1.1288 Soluble
93 S F -1.3862 Soluble
94 L F 0.0000 Buried
95 R F -2.9883 Soluble
96 S F -1.9873 Soluble
97 E F -2.5247 Soluble
98 D F -1.6947 Soluble
99 T F -0.5499 Soluble
100 A F 0.0000 Buried
101 V F 0.5284 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F -0.0604 Soluble
107 R F 0.0000 Buried
108 A F 0.0806 Aggregation-prone
109 I F 0.2734 Aggregation-prone
110 D F -0.1271 Soluble
111 S F -0.3102 Soluble
111A D F -1.2934 Soluble
111B T F 0.0454 Aggregation-prone
112C Y F 1.2892 Aggregation-prone
112B V F 1.8359 Aggregation-prone
112A E F 0.6588 Aggregation-prone
112 Q F 0.0000 Buried
113 S F 0.3235 Aggregation-prone
114 H F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.5597 Soluble
117 Y F 0.0994 Aggregation-prone
118 W F 0.0000 Buried
119 G F -0.1898 Soluble
120 Q F -0.7457 Soluble
121 G F -0.1998 Soluble
122 T F 0.0000 Buried
123 L F 0.5986 Aggregation-prone
124 V F 0.0000 Buried
125 T F -0.1162 Soluble
126 V F -0.1623 Soluble
1 E G -1.6745 Soluble
2 I G 0.0441 Aggregation-prone
3 V G 0.8846 Aggregation-prone
4 M G 0.0000 Buried
5 T G -0.5588 Soluble
6 Q G -0.9066 Soluble
7 S G -0.7045 Soluble
8 P G -0.3259 Soluble
9 A G -0.3325 Soluble
10 T G -0.6542 Soluble
11 L G -0.4078 Soluble
12 S G -0.7837 Soluble
13 L G 0.0000 Buried
14 S G -1.0181 Soluble
15 P G -1.4531 Soluble
16 G G -1.6609 Soluble
17 E G -2.1711 Soluble
18 R G -2.5920 Soluble
19 A G 0.0000 Buried
20 T G -0.6323 Soluble
21 L G 0.0000 Buried
22 S G -0.9932 Soluble
23 C G 0.0000 Buried
24 R G -2.5872 Soluble
25 A G -1.3176 Soluble
26 S G -0.7456 Soluble
27 Q G -1.2677 Soluble
28 S G -1.2630 Soluble
29 V G 0.0000 Buried
36 S G -0.7152 Soluble
37 S G -0.6469 Soluble
38 Y G 0.1630 Aggregation-prone
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G -0.3886 Soluble
44 Q G -0.7966 Soluble
45 K G -1.2314 Soluble
46 P G -0.9241 Soluble
47 G G -1.0076 Soluble
48 Q G -1.0049 Soluble
49 A G 0.0000 Buried
50 P G 0.0000 Buried
51 S G -0.3855 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.6244 Soluble
56 D G -0.9720 Soluble
57 A G 0.0000 Buried
65 S G -1.0413 Soluble
66 N G -1.4691 Soluble
67 R G -1.3553 Soluble
68 A G 0.0000 Buried
69 T G -0.5285 Soluble
70 G G -0.4563 Soluble
71 I G -0.1926 Soluble
72 P G -0.2910 Soluble
74 A G -0.3293 Soluble
75 R G -0.8303 Soluble
76 F G 0.0000 Buried
77 S G -0.6274 Soluble
78 G G -0.7114 Soluble
79 S G -0.9595 Soluble
80 G G -1.3685 Soluble
83 S G -1.3304 Soluble
84 G G -1.3299 Soluble
85 T G -2.0627 Soluble
86 D G -2.8851 Soluble
87 F G 0.0000 Buried
88 T G -0.9525 Soluble
89 L G 0.0000 Buried
90 T G -0.6086 Soluble
91 I G 0.0000 Buried
92 S G -1.2998 Soluble
93 S G -1.7121 Soluble
94 L G 0.0000 Buried
95 E G -2.1128 Soluble
96 P G -1.4266 Soluble
97 E G -2.2240 Soluble
98 D G 0.0000 Buried
99 F G -0.7251 Soluble
100 A G 0.0000 Buried
101 V G -0.6847 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 P G 0.0108 Aggregation-prone
116 L G 0.1644 Aggregation-prone
117 T G 0.0000 Buried
118 F G 0.1288 Aggregation-prone
119 G G -0.1309 Soluble
120 G G -0.5445 Soluble
121 G G -0.6850 Soluble
122 T G 0.0000 Buried
123 K G -1.2373 Soluble
124 V G 0.0000 Buried
125 E G -0.9511 Soluble
126 I G 0.5012 Aggregation-prone
127 K G -1.1403 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 -0.5126 2.1667 CSV PDB
4.5 -0.5608 2.0619 CSV PDB
5.0 -0.62 1.9316 CSV PDB
5.5 -0.6801 1.8175 CSV PDB
6.0 -0.7303 1.8105 CSV PDB
6.5 -0.7619 1.8035 CSV PDB
7.0 -0.7734 1.7966 CSV PDB
7.5 -0.77 1.79 CSV PDB
8.0 -0.7579 1.7839 CSV PDB
8.5 -0.7393 1.7967 CSV PDB
9.0 -0.7135 1.8714 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH