Navivumab / 4r8w

A4DAB176_4r8w_H_L | Source PDB: 4r8w | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6606
Max Score
1.8619
Min Score
-4.2248
Total Score
-156.56
Score CDR
-0.0876
Score non-CDR
-0.8297

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKTSGYSFSTYGVSWVRQAPGQGPEWVGWISAYTGITDYAQKFQGRVTLTTDATTATAFLDLRSLRPDDTATYFCARDKVQGRVEVGSGGRHDYWGQGTLVIVSSAEVVLTQSPGTLALPPGERATLSCRASHRVGSTYIAWYQQKSGQAPRRLIYGASNRATDIPDRFSGSGSGTDFTLTIRRLEPEDSAVYYCQQFSVSPWTFGQGTRVEIKRT 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 -4.2248
Maximum Score 1.8619
Average Score -0.6606
Total Score -156.5564

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

Index Residue Chain A4D Score Classification
1 Q H -1.5642 Soluble
2 V H -1.0718 Soluble
3 Q H -1.3645 Soluble
4 L H 0.0000 Buried
5 V H 0.0447 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6349 Soluble
8 G H -0.5690 Soluble
9 A H 0.0754 Aggregation-prone
11 E H -0.1470 Soluble
12 V H 0.9994 Aggregation-prone
13 K H -0.9083 Soluble
14 K H -2.0418 Soluble
15 P H -2.0644 Soluble
16 G H -1.8577 Soluble
17 A H -1.6483 Soluble
18 S H -1.8563 Soluble
19 V H 0.0000 Buried
20 K H -2.1360 Soluble
21 V H 0.0000 Buried
22 S H -0.6074 Soluble
23 C H 0.0000 Buried
24 K H -1.3082 Soluble
25 T H -0.9104 Soluble
26 S H -1.0720 Soluble
27 G H -1.1482 Soluble
28 Y H -0.4318 Soluble
29 S H -0.0985 Soluble
30 F H 0.2545 Aggregation-prone
35 S H 0.4960 Aggregation-prone
36 T H -0.1509 Soluble
37 Y H -0.0800 Soluble
38 G H 0.0000 Buried
39 V 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 0.0000 Buried
45 A H -0.9957 Soluble
46 P H -0.8682 Soluble
47 G H -1.2312 Soluble
48 Q H -1.8488 Soluble
49 G H -1.2846 Soluble
50 P H -0.9138 Soluble
51 E H -0.9560 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0837 Aggregation-prone
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 A H 0.8151 Aggregation-prone
59 Y H 1.4269 Aggregation-prone
62 T H 0.9228 Aggregation-prone
63 G H 0.8466 Aggregation-prone
64 I H 1.8619 Aggregation-prone
65 T H 0.5954 Aggregation-prone
66 D H -0.4545 Soluble
67 Y H -1.0997 Soluble
68 A H 0.0000 Buried
69 Q H -2.5500 Soluble
70 K H -2.7012 Soluble
71 F H 0.0000 Buried
72 Q H -2.4510 Soluble
74 G H -1.7869 Soluble
75 R H -1.6945 Soluble
76 V H 0.0000 Buried
77 T H -0.8926 Soluble
78 L H 0.0000 Buried
79 T H 0.1183 Aggregation-prone
80 T H -0.1548 Soluble
81 D H -0.5313 Soluble
82 A H -0.1954 Soluble
83 T H -0.1970 Soluble
84 T H -0.4421 Soluble
85 A H -0.5239 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 F H -0.3449 Soluble
89 L H 0.0000 Buried
90 D H -1.3918 Soluble
91 L H 0.0000 Buried
92 R H -2.4559 Soluble
93 S H -1.7248 Soluble
94 L H 0.0000 Buried
95 R H -2.7625 Soluble
96 P H -2.1223 Soluble
97 D H -2.3412 Soluble
98 D H 0.0000 Buried
99 T H -0.5022 Soluble
100 A H 0.0000 Buried
101 T H 0.1160 Aggregation-prone
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 D H 0.0000 Buried
108 K H -1.0716 Soluble
109 V H -0.4963 Soluble
110 Q H -0.5866 Soluble
111 G H -0.9226 Soluble
111A R H -1.6266 Soluble
111B V H 0.3021 Aggregation-prone
111C E H -0.8168 Soluble
112C V H 1.0244 Aggregation-prone
112B G H -0.1239 Soluble
112A S H 0.0000 Buried
112 G H -0.6753 Soluble
113 G H -0.4676 Soluble
114 R H 0.0000 Buried
115 H H 0.0000 Buried
116 D H -0.2167 Soluble
117 Y H 0.0301 Aggregation-prone
118 W H -0.0992 Soluble
119 G H 0.0000 Buried
120 Q H -1.3389 Soluble
121 G H -0.5973 Soluble
122 T H 0.0000 Buried
123 L H 0.7527 Aggregation-prone
124 V H 0.0000 Buried
125 I H 0.4840 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.9940 Soluble
128 S H -0.8096 Soluble
129 A H -0.4016 Soluble
1 E L -1.2613 Soluble
2 V L 0.0000 Buried
3 V L 0.7458 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5344 Soluble
6 Q L 0.0000 Buried
7 S L -0.9127 Soluble
8 P L -0.5311 Soluble
9 G L -0.8653 Soluble
10 T L -0.5554 Soluble
11 L L -0.1377 Soluble
12 A L -0.3518 Soluble
13 L L -1.0548 Soluble
14 P L -2.0246 Soluble
15 P L -2.3815 Soluble
16 G L -2.5172 Soluble
17 E L -3.4971 Soluble
18 R L -3.7897 Soluble
19 A L 0.0000 Buried
20 T L -0.7353 Soluble
21 L L 0.0000 Buried
22 S L -1.0829 Soluble
23 C L 0.0000 Buried
24 R L -2.5859 Soluble
25 A L 0.0000 Buried
26 S L -1.1966 Soluble
27 H L -2.1810 Soluble
28 R L -2.8621 Soluble
29 V L 0.0000 Buried
30 G L -0.7002 Soluble
36 S L -0.6240 Soluble
37 T L 0.1873 Aggregation-prone
38 Y L 0.9209 Aggregation-prone
39 I 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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.4548 Soluble
46 S L -1.0513 Soluble
47 G L -1.4836 Soluble
48 Q L -2.0514 Soluble
49 A L -1.3249 Soluble
50 P L 0.0000 Buried
51 R L -1.0278 Soluble
52 R L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2501 Soluble
56 G L -0.2849 Soluble
57 A L 0.0000 Buried
65 S L -0.8651 Soluble
66 N L -1.2254 Soluble
67 R L -1.6186 Soluble
68 A L -1.2422 Soluble
69 T L -1.1625 Soluble
70 D L -2.0658 Soluble
71 I L -1.4721 Soluble
72 P L -1.4920 Soluble
74 D L -2.6304 Soluble
75 R L -2.4556 Soluble
76 F L 0.0000 Buried
77 S L -1.1500 Soluble
78 G L 0.0000 Buried
79 S L -0.8745 Soluble
80 G L -1.3005 Soluble
83 S L -1.5507 Soluble
84 G L -1.9258 Soluble
85 T L -2.5118 Soluble
86 D L -3.0351 Soluble
87 F L 0.0000 Buried
88 T L -0.9605 Soluble
89 L L 0.0000 Buried
90 T L -1.1425 Soluble
91 I L 0.0000 Buried
92 R L -3.7134 Soluble
93 R L -4.2248 Soluble
94 L L 0.0000 Buried
95 E L -2.5308 Soluble
96 P L -1.8881 Soluble
97 E L -2.3862 Soluble
98 D L 0.0000 Buried
99 S L -1.1263 Soluble
100 A L 0.0000 Buried
101 V L -0.2916 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 F L 0.0000 Buried
108 S L 0.7915 Aggregation-prone
109 V L 1.4625 Aggregation-prone
114 S L 0.1185 Aggregation-prone
115 P L -0.4356 Soluble
116 W L 0.0000 Buried
117 T L 0.0800 Aggregation-prone
118 F L 0.0204 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.3156 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 R L -0.8042 Soluble
124 V L 0.0000 Buried
125 E L -1.0690 Soluble
126 I L -1.5664 Soluble
127 K L -2.5220 Soluble
128 R L -2.6037 Soluble
129 T L -1.3281 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 -0.6776 3.2798 CSV PDB
4.5 -0.7157 3.2663 CSV PDB
5.0 -0.7625 3.2433 CSV PDB
5.5 -0.8086 3.2135 CSV PDB
6.0 -0.8449 3.1805 CSV PDB
6.5 -0.8655 3.1464 CSV PDB
7.0 -0.8707 3.1119 CSV PDB
7.5 -0.865 3.0773 CSV PDB
8.0 -0.8532 3.0428 CSV PDB
8.5 -0.8366 3.0089 CSV PDB
9.0 -0.8147 2.9764 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH