Simaravibart / 7s6k

A4DAB240_7s6k_H_L | Source PDB: 7s6k | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5937
Max Score
1.1965
Min Score
-3.0198
Total Score
-133.58
Score CDR
-0.2344
Score non-CDR
-0.6912

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGLEWMGRIIPILDRVMYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARRAIDSDTYVEQSHFDYWGQGTLVTVEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPSLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQPLTFGGGTKVEIK input.pdb
Selected Chain(s) H (Heavy), L (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 -3.0198
Maximum Score 1.1965
Average Score -0.5937
Total Score -133.5842

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

Index Residue Chain A4D Score Classification
2 V H 1.1965 Aggregation-prone
3 Q H -0.2817 Soluble
4 L H 0.0000 Buried
5 V H 0.0599 Aggregation-prone
6 Q H -0.3570 Soluble
7 S H -0.7537 Soluble
8 G H -0.7372 Soluble
9 A H -0.4853 Soluble
11 E H -1.0134 Soluble
12 V H 0.7647 Aggregation-prone
13 K H -0.8993 Soluble
14 K H -1.8189 Soluble
15 P H -1.8908 Soluble
16 G H -1.6169 Soluble
17 S H -1.1691 Soluble
18 S H -1.3384 Soluble
19 V H 0.0000 Buried
20 K H -1.9644 Soluble
21 V H 0.0000 Buried
22 S H -0.6492 Soluble
23 C H 0.0000 Buried
24 K H -1.2839 Soluble
25 A H 0.0000 Buried
26 S H -0.6253 Soluble
27 G H -0.6958 Soluble
28 G H -0.8860 Soluble
29 T H 0.0000 Buried
30 F H -0.5033 Soluble
35 S H -0.4446 Soluble
36 S H -0.3022 Soluble
37 Y H 0.2403 Aggregation-prone
38 T H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.5415 Soluble
44 Q H 0.0000 Buried
45 A H -0.7069 Soluble
46 P H -0.9163 Soluble
47 G H -1.3878 Soluble
48 Q H -1.8110 Soluble
49 G H -1.1614 Soluble
50 L H 0.0000 Buried
51 E H -0.8733 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H 0.0009 Aggregation-prone
56 I H 0.0000 Buried
57 I H -0.3149 Soluble
58 P H 0.0000 Buried
59 I H -0.2962 Soluble
62 L H -0.5055 Soluble
63 D H -2.0032 Soluble
64 R H -1.9669 Soluble
65 V H -0.3073 Soluble
66 M H 0.2000 Aggregation-prone
67 Y H -0.3823 Soluble
68 A H 0.0000 Buried
69 Q H -2.7018 Soluble
70 K H -2.7920 Soluble
71 F H 0.0000 Buried
72 Q H -2.3915 Soluble
74 G H -1.6976 Soluble
75 R H -1.6203 Soluble
76 V H 0.0000 Buried
77 T H -0.5635 Soluble
78 I H 0.0000 Buried
79 T H -0.5785 Soluble
80 A H -1.3000 Soluble
81 D H -2.0100 Soluble
82 K H -2.2801 Soluble
83 S H -1.3740 Soluble
84 T H -1.3091 Soluble
85 S H -1.4634 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4091 Soluble
89 M H 0.0000 Buried
90 E H -1.0652 Soluble
91 L H -1.0365 Soluble
92 S H -1.2134 Soluble
93 S H -1.3834 Soluble
94 L H 0.0000 Buried
95 R H -3.0198 Soluble
96 S H -1.9255 Soluble
97 E H -2.5959 Soluble
98 D H -1.8750 Soluble
99 T H -0.6431 Soluble
100 A H 0.0000 Buried
101 V H -0.0422 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 R H 0.0000 Buried
108 A H 0.1916 Aggregation-prone
109 I H 0.7961 Aggregation-prone
110 D H 0.0638 Aggregation-prone
111 S H -0.2940 Soluble
111A D H -1.3064 Soluble
111B T H -0.2779 Soluble
112C Y H 0.7366 Aggregation-prone
112B V H 1.0685 Aggregation-prone
112A E H -0.7873 Soluble
112 Q H -0.1798 Soluble
113 S H -0.0672 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.1562 Soluble
117 Y H 0.4270 Aggregation-prone
118 W H 0.1321 Aggregation-prone
119 G H -0.3043 Soluble
120 Q H -0.6376 Soluble
121 G H -0.2789 Soluble
122 T H 0.0000 Buried
123 L H 0.4399 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0963 Soluble
126 V H 0.0514 Aggregation-prone
1 E L -1.5857 Soluble
2 I L -0.0850 Soluble
3 V L 0.9698 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.2730 Soluble
6 Q L 0.0000 Buried
7 S L -0.5601 Soluble
8 P L -0.2992 Soluble
9 A L -0.3380 Soluble
10 T L -0.6066 Soluble
11 L L -0.4462 Soluble
12 S L -0.8160 Soluble
13 L L -1.1200 Soluble
14 S L -1.2543 Soluble
15 P L -1.5949 Soluble
16 G L -1.8242 Soluble
17 E L -2.4662 Soluble
18 R L -2.6799 Soluble
19 A L 0.0000 Buried
20 T L -0.6568 Soluble
21 L L 0.0000 Buried
22 S L -0.7046 Soluble
23 C L 0.0000 Buried
24 R L -1.8389 Soluble
25 A L -1.0011 Soluble
26 S L -0.9006 Soluble
27 Q L -1.6307 Soluble
28 S L -1.0015 Soluble
29 V L 0.0000 Buried
36 S L -0.5198 Soluble
37 S L -0.0894 Soluble
38 Y L 0.6556 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.7029 Soluble
44 Q L 0.0000 Buried
45 K L -2.2359 Soluble
46 P L -1.6855 Soluble
47 G L -1.6702 Soluble
48 Q L -1.8466 Soluble
49 A L 0.0000 Buried
50 P L 0.0000 Buried
51 S L -0.5382 Soluble
52 L L -0.1636 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.4093 Soluble
56 D L -0.8013 Soluble
57 A L 0.0000 Buried
65 S L -1.0062 Soluble
66 N L -1.6135 Soluble
67 R L -1.8200 Soluble
68 A L 0.0000 Buried
69 T L -0.5701 Soluble
70 G L -0.5604 Soluble
71 I L -0.3982 Soluble
72 P L -0.4361 Soluble
74 A L -0.4889 Soluble
75 R L -0.7533 Soluble
76 F L 0.0000 Buried
77 S L -0.8494 Soluble
78 G L -0.7877 Soluble
79 S L -0.9067 Soluble
80 G L -1.1549 Soluble
83 S L -1.0978 Soluble
84 G L -1.1289 Soluble
85 T L -1.7934 Soluble
86 D L -2.3713 Soluble
87 F L 0.0000 Buried
88 T L -0.7702 Soluble
89 L L 0.0000 Buried
90 T L -0.6200 Soluble
91 I L 0.0000 Buried
92 S L -1.3178 Soluble
93 S L -1.7487 Soluble
94 L L 0.0000 Buried
95 E L -1.9664 Soluble
96 P L -1.3998 Soluble
97 E L -2.1509 Soluble
98 D L 0.0000 Buried
99 F L -0.9777 Soluble
100 A L 0.0000 Buried
101 V L 0.0000 Buried
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 P L 0.2295 Aggregation-prone
116 L L 0.4518 Aggregation-prone
117 T L 0.2336 Aggregation-prone
118 F L 0.3564 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.5948 Soluble
121 G L -0.6854 Soluble
122 T L 0.0000 Buried
123 K L -1.3623 Soluble
124 V L 0.0000 Buried
125 E L -1.0950 Soluble
126 I L -0.2013 Soluble
127 K L -1.3092 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 -0.5839 1.7776 CSV PDB
4.5 -0.636 1.5691 CSV PDB
5.0 -0.6994 1.3768 CSV PDB
5.5 -0.763 1.3582 CSV PDB
6.0 -0.8151 1.3582 CSV PDB
6.5 -0.8466 1.3582 CSV PDB
7.0 -0.8556 1.3582 CSV PDB
7.5 -0.8479 1.3582 CSV PDB
8.0 -0.8301 1.3582 CSV PDB
8.5 -0.8046 1.5333 CSV PDB
9.0 -0.7717 1.7245 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH