Obinutuzumab / 6y97

A4DAB184_6y97_H_L | Source PDB: 6y97 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.62
Max Score
1.7657
Min Score
-2.8245
Total Score
-140.12
Score CDR
-0.2052
Score non-CDR
-0.7409

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYAFSYSWINWVRQAPGQGLEWMGRIFPGDGDTDYNGKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCARNVFDGYWLVYWGQGTLVTVDIVMTQTPLSLPVTPGEPASISCRSSKSLLHSNGITYLYWYLQKPGQSPQLLIYQMSNLVSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQNLELPYTFGGGTKVE 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 -2.8245
Maximum Score 1.7657
Average Score -0.62
Total Score -140.1234

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

Index Residue Chain A4D Score Classification
2 V H 1.0741 Aggregation-prone
3 Q H -0.1358 Soluble
4 L H 0.1540 Aggregation-prone
5 V H 0.4946 Aggregation-prone
6 Q H -0.1543 Soluble
7 S H -0.7060 Soluble
8 G H -0.7075 Soluble
9 A H -0.2414 Soluble
11 E H -0.8527 Soluble
12 V H 0.6911 Aggregation-prone
13 K H -0.8212 Soluble
14 K H -1.9269 Soluble
15 P H -2.0172 Soluble
16 G H -1.5329 Soluble
17 S H -1.2927 Soluble
18 S H -1.5244 Soluble
19 V H 0.0000 Buried
20 K H -2.3418 Soluble
21 V H 0.0000 Buried
22 S H -0.5495 Soluble
23 C H 0.0000 Buried
24 K H -0.7396 Soluble
25 A H -0.2259 Soluble
26 S H -0.0667 Soluble
27 G H 0.1836 Aggregation-prone
28 Y H 0.6182 Aggregation-prone
29 A H 0.7673 Aggregation-prone
30 F H 0.2329 Aggregation-prone
35 S H 0.2623 Aggregation-prone
36 Y H 1.7657 Aggregation-prone
37 S H 0.0000 Buried
38 W H 0.7648 Aggregation-prone
39 I H 0.0000 Buried
40 N 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 -0.3955 Soluble
45 A H -0.7722 Soluble
46 P H -0.8519 Soluble
47 G H -1.2209 Soluble
48 Q H -1.6604 Soluble
49 G H -1.1321 Soluble
50 L H 0.0000 Buried
51 E H -0.6377 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H -0.3371 Soluble
56 I H 0.0000 Buried
57 F H -0.7723 Soluble
58 P H -1.3354 Soluble
59 G H -1.4427 Soluble
62 D H -2.6080 Soluble
63 G H -2.2629 Soluble
64 D H -2.6315 Soluble
65 T H -1.2861 Soluble
66 D H -0.5637 Soluble
67 Y H -0.0382 Soluble
68 N H -0.8762 Soluble
69 G H -1.4824 Soluble
70 K H -2.3488 Soluble
71 F H -1.4565 Soluble
72 K H -2.2872 Soluble
74 G H -1.6445 Soluble
75 R H -1.4581 Soluble
76 V H -0.6879 Soluble
77 T H -0.4893 Soluble
78 I H -0.1956 Soluble
79 T H -0.5073 Soluble
80 A H -0.6889 Soluble
81 D H -1.5918 Soluble
82 K H -2.1622 Soluble
83 S H -1.2664 Soluble
84 T H -1.0647 Soluble
85 S H -1.1798 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6965 Soluble
89 M H 0.0000 Buried
90 E H -2.1006 Soluble
91 L H -1.2791 Soluble
92 S H -1.0526 Soluble
93 S H -1.1759 Soluble
94 L H 0.0000 Buried
95 R H -2.2491 Soluble
96 S H -1.9133 Soluble
97 E H -2.2606 Soluble
98 D H 0.0000 Buried
99 T H -0.7081 Soluble
100 A H 0.0000 Buried
101 V H 0.6815 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H -0.0289 Soluble
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.4062 Aggregation-prone
107 N H 0.8602 Aggregation-prone
108 V H 1.4326 Aggregation-prone
109 F H 1.5701 Aggregation-prone
110 D H -0.7084 Soluble
112 G H -0.1047 Soluble
113 Y H 0.7857 Aggregation-prone
114 W H 0.6735 Aggregation-prone
115 L H 0.0000 Buried
116 V H 0.5244 Aggregation-prone
117 Y H 0.5734 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1247 Soluble
121 G H -0.2331 Soluble
122 T H -0.0810 Soluble
123 L H 1.0153 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1515 Soluble
126 V H -1.0691 Soluble
1 D L -1.9215 Soluble
2 I L 0.0000 Buried
3 V L 0.8187 Aggregation-prone
4 M L 0.0821 Aggregation-prone
5 T L -0.1471 Soluble
6 Q L -0.3314 Soluble
7 T L 0.0924 Aggregation-prone
8 P L 0.3371 Aggregation-prone
9 L L 0.9342 Aggregation-prone
10 S L -0.2147 Soluble
11 L L -0.0097 Soluble
12 P L -0.4437 Soluble
13 V L -0.0692 Soluble
14 T L -0.7381 Soluble
15 P L -1.2150 Soluble
16 G L -1.6580 Soluble
17 E L -2.2036 Soluble
18 P L -1.3673 Soluble
19 A L -1.2626 Soluble
20 S L -0.9407 Soluble
21 I L 0.0000 Buried
22 S L -1.2016 Soluble
23 C L 0.0000 Buried
24 R L -2.7213 Soluble
25 S L -1.5914 Soluble
26 S L -1.4843 Soluble
27 K L -1.8784 Soluble
28 S L -1.3699 Soluble
29 L L 0.0000 Buried
30 L L 0.6684 Aggregation-prone
31 H L -0.5774 Soluble
32 S L -0.7926 Soluble
34 N L -1.3433 Soluble
35 G L -0.6122 Soluble
36 I L 0.4367 Aggregation-prone
37 T L 0.4027 Aggregation-prone
38 Y L 0.6407 Aggregation-prone
39 L L 0.0000 Buried
40 Y L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L -1.1840 Soluble
45 K L -1.5160 Soluble
46 P L -1.1011 Soluble
47 G L -1.2466 Soluble
48 Q L -1.7675 Soluble
49 S L -1.3482 Soluble
50 P L 0.0000 Buried
51 Q L -1.0890 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0975 Aggregation-prone
56 Q L -0.0343 Soluble
57 M L -0.3021 Soluble
65 S L -0.6773 Soluble
66 N L -1.1409 Soluble
67 L L -0.3614 Soluble
68 V L 0.0965 Aggregation-prone
69 S L -0.4421 Soluble
70 G L -0.5620 Soluble
71 V L -0.4231 Soluble
72 P L -1.2902 Soluble
74 D L -2.4390 Soluble
75 R L -2.4908 Soluble
76 F L -1.4149 Soluble
77 S L -1.3843 Soluble
78 G L -0.9910 Soluble
79 S L -1.0445 Soluble
80 G L -1.3165 Soluble
83 S L -0.8517 Soluble
84 G L -0.6226 Soluble
85 T L -1.7332 Soluble
86 D L -2.8245 Soluble
87 F L 0.0000 Buried
88 T L -1.4192 Soluble
89 L L 0.0000 Buried
90 K L -2.0852 Soluble
91 I L 0.0000 Buried
92 S L -2.0154 Soluble
93 R L -2.2891 Soluble
94 V L -1.7495 Soluble
95 E L -2.1137 Soluble
96 A L -1.5637 Soluble
97 E L -2.3397 Soluble
98 D L -1.5949 Soluble
99 V L -1.1601 Soluble
100 G L -1.0865 Soluble
101 V L 0.0000 Buried
102 Y L -0.2690 Soluble
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 A L 0.0000 Buried
106 Q L 0.0000 Buried
107 N L -0.1662 Soluble
108 L L -0.2351 Soluble
109 E L -1.4667 Soluble
114 L L -0.3520 Soluble
115 P L -0.7364 Soluble
116 Y L -0.2661 Soluble
117 T L -0.0746 Soluble
118 F L 0.1772 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.4487 Soluble
121 G L -0.5420 Soluble
122 T L 0.0000 Buried
123 K L -1.6876 Soluble
124 V L -1.0325 Soluble
125 E L -1.9415 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 -0.4332 4.9088 CSV PDB
4.5 -0.4886 4.7342 CSV PDB
5.0 -0.5573 4.5355 CSV PDB
5.5 -0.625 4.3276 CSV PDB
6.0 -0.6778 4.1168 CSV PDB
6.5 -0.7062 3.9053 CSV PDB
7.0 -0.709 3.6944 CSV PDB
7.5 -0.6939 3.4866 CSV PDB
8.0 -0.6689 3.2878 CSV PDB
8.5 -0.6371 3.1129 CSV PDB
9.0 -0.5983 2.9847 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH