Simaravibart / 7s6k

A4DAB240_7s6k_F_G | Source PDB: 7s6k | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5937
Max Score
1.1957
Min Score
-3.0068
Total Score
-133.59
Score CDR
-0.2328
Score non-CDR
-0.6916

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 -3.0068
Maximum Score 1.1957
Average Score -0.5937
Total Score -133.5904

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

Index Residue Chain A4D Score Classification
2 V F 1.1957 Aggregation-prone
3 Q F -0.2855 Soluble
4 L F 0.0000 Buried
5 V F 0.0487 Aggregation-prone
6 Q F -0.3626 Soluble
7 S F -0.7573 Soluble
8 G F -0.7405 Soluble
9 A F -0.4898 Soluble
11 E F -1.0192 Soluble
12 V F 0.7714 Aggregation-prone
13 K F -0.8874 Soluble
14 K F -1.8024 Soluble
15 P F -1.8660 Soluble
16 G F -1.6075 Soluble
17 S F -1.1607 Soluble
18 S F -1.3356 Soluble
19 V F 0.0000 Buried
20 K F -1.9654 Soluble
21 V F 0.0000 Buried
22 S F -0.6511 Soluble
23 C F 0.0000 Buried
24 K F -1.2880 Soluble
25 A F 0.0000 Buried
26 S F -0.6264 Soluble
27 G F -0.6957 Soluble
28 G F -0.8857 Soluble
29 T F 0.0000 Buried
30 F F -0.5021 Soluble
35 S F -0.4445 Soluble
36 S F -0.3040 Soluble
37 Y F 0.2375 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 -0.5414 Soluble
44 Q F 0.0000 Buried
45 A F -0.7068 Soluble
46 P F -0.9163 Soluble
47 G F -1.3879 Soluble
48 Q F -1.8110 Soluble
49 G F -1.1612 Soluble
50 L F 0.0000 Buried
51 E F -0.8730 Soluble
52 W F 0.0000 Buried
53 M F 0.0000 Buried
54 G F 0.0000 Buried
55 R F 0.0010 Aggregation-prone
56 I F 0.0000 Buried
57 I F -0.3156 Soluble
58 P F 0.0000 Buried
59 I F -0.2976 Soluble
62 L F -0.5090 Soluble
63 D F -2.0051 Soluble
64 R F -1.9683 Soluble
65 V F -0.3079 Soluble
66 M F 0.2000 Aggregation-prone
67 Y F -0.3824 Soluble
68 A F 0.0000 Buried
69 Q F -2.7019 Soluble
70 K F -2.7922 Soluble
71 F F 0.0000 Buried
72 Q F -2.3917 Soluble
74 G F -1.6977 Soluble
75 R F -1.6204 Soluble
76 V F 0.0000 Buried
77 T F -0.5634 Soluble
78 I F 0.0000 Buried
79 T F -0.5783 Soluble
80 A F -1.2996 Soluble
81 D F -2.0097 Soluble
82 K F -2.2798 Soluble
83 S F -1.3737 Soluble
84 T F -1.3089 Soluble
85 S F -1.4630 Soluble
86 T F 0.0000 Buried
87 A F 0.0000 Buried
88 Y F -0.4091 Soluble
89 M F 0.0000 Buried
90 E F -1.0651 Soluble
91 L F -1.0364 Soluble
92 S F -1.2112 Soluble
93 S F -1.3792 Soluble
94 L F 0.0000 Buried
95 R F -3.0068 Soluble
96 S F -1.9097 Soluble
97 E F -2.5890 Soluble
98 D F -1.8687 Soluble
99 T F -0.6375 Soluble
100 A F 0.0000 Buried
101 V F -0.0422 Soluble
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 0.0000 Buried
107 R F 0.0000 Buried
108 A F 0.1832 Aggregation-prone
109 I F 0.7802 Aggregation-prone
110 D F 0.0560 Aggregation-prone
111 S F -0.2973 Soluble
111A D F -1.3068 Soluble
111B T F -0.2778 Soluble
112C Y F 0.7346 Aggregation-prone
112B V F 1.0656 Aggregation-prone
112A E F -0.7910 Soluble
112 Q F -0.1799 Soluble
113 S F -0.0528 Soluble
114 H F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.1597 Soluble
117 Y F 0.4236 Aggregation-prone
118 W F 0.1292 Aggregation-prone
119 G F -0.3076 Soluble
120 Q F -0.6381 Soluble
121 G F -0.2801 Soluble
122 T F 0.0000 Buried
123 L F 0.4378 Aggregation-prone
124 V F 0.0000 Buried
125 T F -0.0837 Soluble
126 V F 0.0800 Aggregation-prone
1 E G -1.5858 Soluble
2 I G -0.0849 Soluble
3 V G 0.9700 Aggregation-prone
4 M G 0.0000 Buried
5 T G -0.2727 Soluble
6 Q G 0.0000 Buried
7 S G -0.5600 Soluble
8 P G -0.2999 Soluble
9 A G -0.3391 Soluble
10 T G -0.6084 Soluble
11 L G -0.4491 Soluble
12 S G -0.8188 Soluble
13 L G -1.1202 Soluble
14 S G -1.2534 Soluble
15 P G -1.5942 Soluble
16 G G -1.8184 Soluble
17 E G -2.4581 Soluble
18 R G -2.6753 Soluble
19 A G 0.0000 Buried
20 T G -0.6563 Soluble
21 L G 0.0000 Buried
22 S G -0.7042 Soluble
23 C G 0.0000 Buried
24 R G -1.8387 Soluble
25 A G -1.0010 Soluble
26 S G -0.9006 Soluble
27 Q G -1.6307 Soluble
28 S G -1.0038 Soluble
29 V G 0.0000 Buried
36 S G -0.5140 Soluble
37 S G -0.0658 Soluble
38 Y G 0.6685 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 -0.7021 Soluble
44 Q G 0.0000 Buried
45 K G -2.2295 Soluble
46 P G -1.6818 Soluble
47 G G -1.6682 Soluble
48 Q G -1.8443 Soluble
49 A G 0.0000 Buried
50 P G 0.0000 Buried
51 S G -0.5377 Soluble
52 L G -0.1757 Soluble
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.3693 Soluble
56 D G -0.7215 Soluble
57 A G 0.0000 Buried
65 S G -0.9934 Soluble
66 N G -1.6194 Soluble
67 R G -1.9197 Soluble
68 A G 0.0000 Buried
69 T G -0.5958 Soluble
70 G G -0.5802 Soluble
71 I G -0.4318 Soluble
72 P G -0.4595 Soluble
74 A G -0.5139 Soluble
75 R G -0.7672 Soluble
76 F G 0.0000 Buried
77 S G -0.8764 Soluble
78 G G -0.7902 Soluble
79 S G -0.8928 Soluble
80 G G -1.1544 Soluble
83 S G -1.0912 Soluble
84 G G -1.1311 Soluble
85 T G -1.7930 Soluble
86 D G -2.3713 Soluble
87 F G 0.0000 Buried
88 T G -0.7698 Soluble
89 L G 0.0000 Buried
90 T G -0.6195 Soluble
91 I G 0.0000 Buried
92 S G -1.3146 Soluble
93 S G -1.7432 Soluble
94 L G 0.0000 Buried
95 E G -1.9533 Soluble
96 P G -1.4006 Soluble
97 E G -2.1494 Soluble
98 D G 0.0000 Buried
99 F G -0.9812 Soluble
100 A G 0.0000 Buried
101 V G 0.0000 Buried
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 0.2242 Aggregation-prone
116 L G 0.4498 Aggregation-prone
117 T G 0.2341 Aggregation-prone
118 F G 0.3575 Aggregation-prone
119 G G 0.0000 Buried
120 G G -0.5949 Soluble
121 G G -0.6862 Soluble
122 T G 0.0000 Buried
123 K G -1.3665 Soluble
124 V G 0.0000 Buried
125 E G -1.1019 Soluble
126 I G -0.2095 Soluble
127 K G -1.3127 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
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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 -0.5884 1.7701 CSV PDB
4.5 -0.64 1.5588 CSV PDB
5.0 -0.7029 1.3582 CSV PDB
5.5 -0.7659 1.3582 CSV PDB
6.0 -0.8174 1.3582 CSV PDB
6.5 -0.8485 1.3582 CSV PDB
7.0 -0.8571 1.3582 CSV PDB
7.5 -0.849 1.3582 CSV PDB
8.0 -0.8309 1.3582 CSV PDB
8.5 -0.8052 1.5339 CSV PDB
9.0 -0.7721 1.724 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH