Simaravibart / 7s6j

A4DAB240_7s6j_H_L | Source PDB: 7s6j | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5413
Max Score
1.8346
Min Score
-2.9889
Total Score
-121.79
Score CDR
-0.1586
Score non-CDR
-0.645

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 -2.9889
Maximum Score 1.8346
Average Score -0.5413
Total Score -121.7852

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

Index Residue Chain A4D Score Classification
2 V H 0.9597 Aggregation-prone
3 Q H 0.0054 Aggregation-prone
4 L H 0.0000 Buried
5 V H 1.0129 Aggregation-prone
6 Q H 0.0690 Aggregation-prone
7 S H -0.5222 Soluble
8 G H -0.6427 Soluble
9 A H -0.4280 Soluble
11 E H -0.8272 Soluble
12 V H 0.7328 Aggregation-prone
13 K H -0.9123 Soluble
14 K H -1.8981 Soluble
15 P H -1.8885 Soluble
16 G H -1.5793 Soluble
17 S H -1.3899 Soluble
18 S H -1.3393 Soluble
19 V H 0.0000 Buried
20 K H -1.5888 Soluble
21 V H -0.8577 Soluble
22 S H -0.4228 Soluble
23 C H 0.0000 Buried
24 K H -0.8579 Soluble
25 A H 0.0000 Buried
26 S H -0.3898 Soluble
27 G H -0.5267 Soluble
28 G H -0.4722 Soluble
29 T H 0.0000 Buried
30 F H -0.2935 Soluble
35 S H -0.0921 Soluble
36 S H -0.0066 Soluble
37 Y H 0.4340 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 0.0000 Buried
44 Q H -0.4682 Soluble
45 A H -0.7018 Soluble
46 P H -0.8292 Soluble
47 G H -1.0851 Soluble
48 Q H -1.3939 Soluble
49 G H -0.8471 Soluble
50 L H 0.0000 Buried
51 E H -0.7551 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H 0.0000 Buried
56 I H 0.0000 Buried
57 I H 0.0000 Buried
58 P H 0.0000 Buried
59 I H 0.7903 Aggregation-prone
62 L H -0.2290 Soluble
63 D H -1.7873 Soluble
64 R H -1.6956 Soluble
65 V H -0.4149 Soluble
66 M H 0.1779 Aggregation-prone
67 Y H -0.4943 Soluble
68 A H 0.0000 Buried
69 Q H -2.7169 Soluble
70 K H -2.9677 Soluble
71 F H 0.0000 Buried
72 Q H -2.1090 Soluble
74 G H -1.5503 Soluble
75 R H -1.3760 Soluble
76 V H 0.0000 Buried
77 T H -0.5421 Soluble
78 I H 0.0000 Buried
79 T H -0.8132 Soluble
80 A H -1.3092 Soluble
81 D H -2.7145 Soluble
82 K H -2.3845 Soluble
83 S H -1.6581 Soluble
84 T H -1.3970 Soluble
85 S H 0.0000 Buried
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5001 Soluble
89 M H 0.0000 Buried
90 E H -1.0519 Soluble
91 L H 0.0000 Buried
92 S H -1.1286 Soluble
93 S H -1.3860 Soluble
94 L H 0.0000 Buried
95 R H -2.9889 Soluble
96 S H -1.9881 Soluble
97 E H -2.5253 Soluble
98 D H -1.6961 Soluble
99 T H -0.5506 Soluble
100 A H 0.0000 Buried
101 V H 0.5280 Aggregation-prone
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 -0.0607 Soluble
107 R H 0.0000 Buried
108 A H 0.0787 Aggregation-prone
109 I H 0.2709 Aggregation-prone
110 D H -0.1309 Soluble
111 S H -0.3117 Soluble
111A D H -1.2942 Soluble
111B T H 0.0447 Aggregation-prone
112C Y H 1.2881 Aggregation-prone
112B V H 1.8346 Aggregation-prone
112A E H 0.6561 Aggregation-prone
112 Q H 0.0000 Buried
113 S H 0.3233 Aggregation-prone
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5627 Soluble
117 Y H 0.1003 Aggregation-prone
118 W H 0.0000 Buried
119 G H -0.1890 Soluble
120 Q H -0.7455 Soluble
121 G H -0.1999 Soluble
122 T H 0.0000 Buried
123 L H 0.5986 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1172 Soluble
126 V H -0.1631 Soluble
1 E L -1.6753 Soluble
2 I L 0.0441 Aggregation-prone
3 V L 0.8846 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.5589 Soluble
6 Q L -0.9066 Soluble
7 S L -0.7034 Soluble
8 P L -0.3243 Soluble
9 A L -0.3297 Soluble
10 T L -0.6484 Soluble
11 L L -0.4030 Soluble
12 S L -0.7797 Soluble
13 L L 0.0000 Buried
14 S L -1.0150 Soluble
15 P L -1.4476 Soluble
16 G L -1.6571 Soluble
17 E L -2.1689 Soluble
18 R L -2.5904 Soluble
19 A L 0.0000 Buried
20 T L -0.6323 Soluble
21 L L 0.0000 Buried
22 S L -0.9933 Soluble
23 C L 0.0000 Buried
24 R L -2.5872 Soluble
25 A L -1.3176 Soluble
26 S L -0.7455 Soluble
27 Q L -1.2675 Soluble
28 S L -1.2622 Soluble
29 V L 0.0000 Buried
36 S L -0.7132 Soluble
37 S L -0.6448 Soluble
38 Y L 0.1663 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 -0.3870 Soluble
44 Q L -0.7945 Soluble
45 K L -1.2298 Soluble
46 P L -0.9238 Soluble
47 G L -1.0076 Soluble
48 Q L -1.0050 Soluble
49 A L 0.0000 Buried
50 P L 0.0000 Buried
51 S L -0.3856 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.6246 Soluble
56 D L -0.9709 Soluble
57 A L 0.0000 Buried
65 S L -1.0409 Soluble
66 N L -1.4691 Soluble
67 R L -1.3553 Soluble
68 A L 0.0000 Buried
69 T L -0.5289 Soluble
70 G L -0.4563 Soluble
71 I L -0.1925 Soluble
72 P L -0.2910 Soluble
74 A L -0.3294 Soluble
75 R L -0.8287 Soluble
76 F L 0.0000 Buried
77 S L -0.6275 Soluble
78 G L -0.7115 Soluble
79 S L -0.9595 Soluble
80 G L -1.3683 Soluble
83 S L -1.3295 Soluble
84 G L -1.3290 Soluble
85 T L -2.0624 Soluble
86 D L -2.8850 Soluble
87 F L 0.0000 Buried
88 T L -0.9524 Soluble
89 L L 0.0000 Buried
90 T L -0.6087 Soluble
91 I L 0.0000 Buried
92 S L -1.2986 Soluble
93 S L -1.7083 Soluble
94 L L 0.0000 Buried
95 E L -2.0992 Soluble
96 P L -1.4193 Soluble
97 E L -2.2195 Soluble
98 D L 0.0000 Buried
99 F L -0.7183 Soluble
100 A L 0.0000 Buried
101 V L -0.6770 Soluble
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 0.0116 Aggregation-prone
116 L L 0.1636 Aggregation-prone
117 T L 0.0000 Buried
118 F L 0.1288 Aggregation-prone
119 G L -0.1308 Soluble
120 G L -0.5433 Soluble
121 G L -0.6821 Soluble
122 T L 0.0000 Buried
123 K L -1.2250 Soluble
124 V L 0.0000 Buried
125 E L -0.9413 Soluble
126 I L 0.5046 Aggregation-prone
127 K L -1.1387 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.5144 2.17 CSV PDB
4.5 -0.5628 2.0657 CSV PDB
5.0 -0.6221 1.9355 CSV PDB
5.5 -0.6822 1.8173 CSV PDB
6.0 -0.7323 1.8103 CSV PDB
6.5 -0.764 1.8033 CSV PDB
7.0 -0.7754 1.7963 CSV PDB
7.5 -0.7721 1.7896 CSV PDB
8.0 -0.7599 1.7836 CSV PDB
8.5 -0.7412 1.7954 CSV PDB
9.0 -0.715 1.8702 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH