Simaravibart / 7s6k

A4DAB240_7s6k_C_D | Source PDB: 7s6k | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.592
Max Score
1.196
Min Score
-3.0042
Total Score
-133.19
Score CDR
-0.2339
Score non-CDR
-0.6891

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 -3.0042
Maximum Score 1.196
Average Score -0.592
Total Score -133.1927

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

Index Residue Chain A4D Score Classification
2 V C 1.1960 Aggregation-prone
3 Q C -0.2840 Soluble
4 L C 0.0000 Buried
5 V C 0.0511 Aggregation-prone
6 Q C -0.3610 Soluble
7 S C -0.7552 Soluble
8 G C -0.7384 Soluble
9 A C -0.4853 Soluble
11 E C -1.0111 Soluble
12 V C 0.7741 Aggregation-prone
13 K C -0.8895 Soluble
14 K C -1.8028 Soluble
15 P C -1.8631 Soluble
16 G C -1.6065 Soluble
17 S C -1.1610 Soluble
18 S C -1.3365 Soluble
19 V C 0.0000 Buried
20 K C -1.9644 Soluble
21 V C 0.0000 Buried
22 S C -0.6495 Soluble
23 C C 0.0000 Buried
24 K C -1.2813 Soluble
25 A C 0.0000 Buried
26 S C -0.6253 Soluble
27 G C -0.6958 Soluble
28 G C -0.8856 Soluble
29 T C 0.0000 Buried
30 F C -0.5035 Soluble
35 S C -0.4438 Soluble
36 S C -0.2999 Soluble
37 Y C 0.2424 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 -0.5414 Soluble
44 Q C 0.0000 Buried
45 A C -0.7067 Soluble
46 P C -0.9163 Soluble
47 G C -1.3879 Soluble
48 Q C -1.8110 Soluble
49 G C -1.1612 Soluble
50 L C 0.0000 Buried
51 E C -0.8730 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 R C 0.0017 Aggregation-prone
56 I C 0.0000 Buried
57 I C -0.3141 Soluble
58 P C 0.0000 Buried
59 I C -0.2958 Soluble
62 L C -0.5054 Soluble
63 D C -2.0034 Soluble
64 R C -1.9666 Soluble
65 V C -0.3062 Soluble
66 M C 0.2024 Aggregation-prone
67 Y C -0.3816 Soluble
68 A C 0.0000 Buried
69 Q C -2.7019 Soluble
70 K C -2.7925 Soluble
71 F C 0.0000 Buried
72 Q C -2.3923 Soluble
74 G C -1.6990 Soluble
75 R C -1.6233 Soluble
76 V C 0.0000 Buried
77 T C -0.5639 Soluble
78 I C 0.0000 Buried
79 T C -0.5783 Soluble
80 A C -1.2994 Soluble
81 D C -2.0094 Soluble
82 K C -2.2804 Soluble
83 S C -1.3740 Soluble
84 T C -1.3079 Soluble
85 S C -1.4621 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.4081 Soluble
89 M C 0.0000 Buried
90 E C -1.0658 Soluble
91 L C -1.0376 Soluble
92 S C -1.2125 Soluble
93 S C -1.3795 Soluble
94 L C 0.0000 Buried
95 R C -3.0042 Soluble
96 S C -1.9054 Soluble
97 E C -2.5864 Soluble
98 D C -1.8670 Soluble
99 T C -0.6363 Soluble
100 A C 0.0000 Buried
101 V C -0.0421 Soluble
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 0.0000 Buried
107 R C 0.0000 Buried
108 A C 0.1910 Aggregation-prone
109 I C 0.7958 Aggregation-prone
110 D C 0.0643 Aggregation-prone
111 S C -0.2935 Soluble
111A D C -1.3059 Soluble
111B T C -0.2777 Soluble
112C Y C 0.7367 Aggregation-prone
112B V C 1.0683 Aggregation-prone
112A E C -0.7878 Soluble
112 Q C -0.1797 Soluble
113 S C -0.0658 Soluble
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.1600 Soluble
117 Y C 0.4252 Aggregation-prone
118 W C 0.1298 Aggregation-prone
119 G C -0.3071 Soluble
120 Q C -0.6376 Soluble
121 G C -0.2801 Soluble
122 T C 0.0000 Buried
123 L C 0.4400 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.0813 Soluble
126 V C 0.0813 Aggregation-prone
1 E D -1.5857 Soluble
2 I D -0.0849 Soluble
3 V D 0.9700 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.2727 Soluble
6 Q D 0.0000 Buried
7 S D -0.5632 Soluble
8 P D -0.3041 Soluble
9 A D -0.3461 Soluble
10 T D -0.6121 Soluble
11 L D -0.4464 Soluble
12 S D -0.8049 Soluble
13 L D -1.1013 Soluble
14 S D -1.2348 Soluble
15 P D -1.5777 Soluble
16 G D -1.8008 Soluble
17 E D -2.4230 Soluble
18 R D -2.6585 Soluble
19 A D 0.0000 Buried
20 T D -0.6530 Soluble
21 L D 0.0000 Buried
22 S D -0.7044 Soluble
23 C D 0.0000 Buried
24 R D -1.8388 Soluble
25 A D -1.0010 Soluble
26 S D -0.9007 Soluble
27 Q D -1.6307 Soluble
28 S D -1.0007 Soluble
29 V D 0.0000 Buried
36 S D -0.5179 Soluble
37 S D -0.0862 Soluble
38 Y D 0.6613 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 -0.7049 Soluble
44 Q D 0.0000 Buried
45 K D -2.2321 Soluble
46 P D -1.6818 Soluble
47 G D -1.6682 Soluble
48 Q D -1.8444 Soluble
49 A D 0.0000 Buried
50 P D 0.0000 Buried
51 S D -0.5379 Soluble
52 L D -0.1646 Soluble
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.4083 Soluble
56 D D -0.7993 Soluble
57 A D 0.0000 Buried
65 S D -1.0056 Soluble
66 N D -1.6135 Soluble
67 R D -1.8207 Soluble
68 A D 0.0000 Buried
69 T D -0.5704 Soluble
70 G D -0.5609 Soluble
71 I D -0.3996 Soluble
72 P D -0.4391 Soluble
74 A D -0.4911 Soluble
75 R D -0.7546 Soluble
76 F D 0.0000 Buried
77 S D -0.8503 Soluble
78 G D -0.7877 Soluble
79 S D -0.9067 Soluble
80 G D -1.1548 Soluble
83 S D -1.0970 Soluble
84 G D -1.1281 Soluble
85 T D -1.7935 Soluble
86 D D -2.3714 Soluble
87 F D 0.0000 Buried
88 T D -0.7702 Soluble
89 L D 0.0000 Buried
90 T D -0.6206 Soluble
91 I D 0.0000 Buried
92 S D -1.3096 Soluble
93 S D -1.7319 Soluble
94 L D 0.0000 Buried
95 E D -1.9471 Soluble
96 P D -1.3953 Soluble
97 E D -2.1489 Soluble
98 D D 0.0000 Buried
99 F D -0.9743 Soluble
100 A D 0.0000 Buried
101 V D 0.0000 Buried
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 0.2311 Aggregation-prone
116 L D 0.4528 Aggregation-prone
117 T D 0.2341 Aggregation-prone
118 F D 0.3575 Aggregation-prone
119 G D 0.0000 Buried
120 G D -0.5980 Soluble
121 G D -0.6929 Soluble
122 T D 0.0000 Buried
123 K D -1.3851 Soluble
124 V D 0.0000 Buried
125 E D -1.0753 Soluble
126 I D -0.1917 Soluble
127 K D -1.3027 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 -0.5847 1.7996 CSV PDB
4.5 -0.6364 1.6122 CSV PDB
5.0 -0.6992 1.4075 CSV PDB
5.5 -0.7623 1.3582 CSV PDB
6.0 -0.8141 1.3582 CSV PDB
6.5 -0.8457 1.3582 CSV PDB
7.0 -0.855 1.3582 CSV PDB
7.5 -0.8475 1.3582 CSV PDB
8.0 -0.8298 1.3582 CSV PDB
8.5 -0.8042 1.5378 CSV PDB
9.0 -0.7709 1.7276 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH