Simaravibart / 7s6l

A4DAB240_7s6l_H_L | Source PDB: 7s6l | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6374
Max Score
1.0747
Min Score
-2.8887
Total Score
-142.13
Score CDR
-0.4208
Score non-CDR
-0.6968

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGLEWMGRIIPILDRVMYAQKFQGRVTITADKSTSTAYMELSSLRSEDTAVYYCARRAIDSDTYVEQSHFDYWGQGTLVTVEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPSLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQPLTFGGGTKVE 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 -2.8887
Maximum Score 1.0747
Average Score -0.6374
Total Score -142.1301

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

Index Residue Chain A4D Score Classification
2 V H 0.9900 Aggregation-prone
3 Q H -0.2283 Soluble
4 L H 0.0000 Buried
5 V H 0.5605 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6070 Soluble
8 G H -0.6109 Soluble
9 A H -0.1847 Soluble
11 E H -0.6312 Soluble
12 V H 0.7303 Aggregation-prone
13 K H -0.9272 Soluble
14 K H -1.9250 Soluble
15 P H -1.8250 Soluble
16 G H -1.4781 Soluble
17 S H -1.2316 Soluble
18 S H -1.3674 Soluble
19 V H 0.0000 Buried
20 K H -1.9700 Soluble
21 V H 0.0000 Buried
22 S H -0.5699 Soluble
23 C H 0.0000 Buried
24 K H -1.4491 Soluble
25 A H 0.0000 Buried
26 S H -0.4063 Soluble
27 G H -1.0945 Soluble
28 G H -0.6864 Soluble
29 T H 0.0000 Buried
30 F H -0.5842 Soluble
35 S H -0.6306 Soluble
36 S H -0.4276 Soluble
37 Y H -0.0301 Soluble
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 -0.5770 Soluble
45 A H -1.0085 Soluble
46 P H -0.9844 Soluble
47 G H -1.2058 Soluble
48 Q H -1.7414 Soluble
49 G H -1.0635 Soluble
50 L H 0.0000 Buried
51 E H -0.7070 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H -0.0838 Soluble
56 I H 0.0000 Buried
57 I H 0.0000 Buried
58 P H 0.0000 Buried
59 I H -0.4914 Soluble
62 L H -0.8075 Soluble
63 D H -2.2954 Soluble
64 R H -2.2405 Soluble
65 V H -0.5637 Soluble
66 M H 0.0691 Aggregation-prone
67 Y H -0.3008 Soluble
68 A H 0.0000 Buried
69 Q H -2.5295 Soluble
70 K H -2.4651 Soluble
71 F H 0.0000 Buried
72 Q H -2.2748 Soluble
74 G H -1.7228 Soluble
75 R H -1.7027 Soluble
76 V H 0.0000 Buried
77 T H -0.6247 Soluble
78 I H 0.0000 Buried
79 T H -0.7759 Soluble
80 A H -1.2153 Soluble
81 D H -1.9596 Soluble
82 K H -2.3375 Soluble
83 S H -1.4135 Soluble
84 T H -1.3812 Soluble
85 S H -1.6801 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5129 Soluble
89 M H 0.0000 Buried
90 E H -1.2087 Soluble
91 L H 0.0000 Buried
92 S H -1.0031 Soluble
93 S H -1.2827 Soluble
94 L H 0.0000 Buried
95 R H -2.7439 Soluble
96 S H -2.1224 Soluble
97 E H -2.4389 Soluble
98 D H 0.0000 Buried
99 T H -0.6060 Soluble
100 A H 0.0000 Buried
101 V H 0.2864 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 0.0000 Buried
107 R H 0.0000 Buried
108 A H -0.3189 Soluble
109 I H 0.0000 Buried
110 D H -1.1960 Soluble
111 S H -1.1339 Soluble
111A D H -1.8613 Soluble
111B T H -0.5657 Soluble
112C Y H 0.3360 Aggregation-prone
112B V H 1.0747 Aggregation-prone
112A E H 0.2081 Aggregation-prone
112 Q H -0.3664 Soluble
113 S H 0.0000 Buried
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.6341 Soluble
117 Y H -0.1914 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1203 Soluble
121 G H -0.4733 Soluble
122 T H 0.0000 Buried
123 L H 0.3744 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1756 Soluble
126 V H -0.9483 Soluble
1 E L -1.7429 Soluble
2 I L -0.2555 Soluble
3 V L 0.8632 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.4919 Soluble
6 Q L -0.8764 Soluble
7 S L -0.7867 Soluble
8 P L -0.3961 Soluble
9 A L -0.3995 Soluble
10 T L -0.7565 Soluble
11 L L -0.5890 Soluble
12 S L -0.7756 Soluble
13 L L -1.1044 Soluble
14 S L -1.4114 Soluble
15 P L -2.0043 Soluble
16 G L -2.0215 Soluble
17 E L -2.8271 Soluble
18 R L -2.8887 Soluble
19 A L 0.0000 Buried
20 T L -0.5405 Soluble
21 L L 0.0000 Buried
22 S L -0.9113 Soluble
23 C L 0.0000 Buried
24 R L -2.3433 Soluble
25 A L 0.0000 Buried
26 S L -0.9399 Soluble
27 Q L -1.6175 Soluble
28 S L -1.1706 Soluble
29 V L -0.3605 Soluble
36 S L -0.5227 Soluble
37 S L -0.3554 Soluble
38 Y L 0.2096 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 -0.3739 Soluble
44 Q L 0.0000 Buried
45 K L -1.3729 Soluble
46 P L -1.1182 Soluble
47 G L -1.5111 Soluble
48 Q L -2.0172 Soluble
49 A L -1.1806 Soluble
50 P L 0.0000 Buried
51 S L -0.4426 Soluble
52 L L -0.2107 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8473 Soluble
56 D L -1.0692 Soluble
57 A L 0.0000 Buried
65 S L -1.3083 Soluble
66 N L -1.9561 Soluble
67 R L -1.6442 Soluble
68 A L 0.0000 Buried
69 T L -0.6611 Soluble
70 G L -0.4577 Soluble
71 I L -0.2030 Soluble
72 P L -0.3053 Soluble
74 A L -0.3223 Soluble
75 R L -0.7898 Soluble
76 F L 0.0000 Buried
77 S L -0.7636 Soluble
78 G L -0.7852 Soluble
79 S L -0.8985 Soluble
80 G L -1.0335 Soluble
83 S L -1.0016 Soluble
84 G L -1.0726 Soluble
85 T L -1.6621 Soluble
86 D L -2.1573 Soluble
87 F L 0.0000 Buried
88 T L -0.7867 Soluble
89 L L 0.0000 Buried
90 T L -0.6085 Soluble
91 I L 0.0000 Buried
92 S L -1.3918 Soluble
93 S L -1.9793 Soluble
94 L L 0.0000 Buried
95 E L -2.2911 Soluble
96 P L -1.8531 Soluble
97 E L -2.2312 Soluble
98 D L 0.0000 Buried
99 F L -1.2111 Soluble
100 A L 0.0000 Buried
101 V L -0.5464 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 0.2193 Aggregation-prone
116 L L 0.1513 Aggregation-prone
117 T L 0.1287 Aggregation-prone
118 F L 0.2625 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6264 Soluble
121 G L -0.7121 Soluble
122 T L 0.0000 Buried
123 K L -1.2713 Soluble
124 V L 0.0000 Buried
125 E L -1.9078 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
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 -0.647 1.5571 CSV PDB
4.5 -0.6949 1.512 CSV PDB
5.0 -0.7531 1.4671 CSV PDB
5.5 -0.8115 1.4189 CSV PDB
6.0 -0.8599 1.3747 CSV PDB
6.5 -0.8905 1.3421 CSV PDB
7.0 -0.9017 1.3241 CSV PDB
7.5 -0.8986 1.3201 CSV PDB
8.0 -0.8869 1.4098 CSV PDB
8.5 -0.8685 1.4979 CSV PDB
9.0 -0.8441 1.5808 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH