Bimagrumab / 5nhr

A4DAB047_5nhr_A_B | Source PDB: 5nhr | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5334
Max Score
1.5543
Min Score
-3.4847
Total Score
-122.14
Score CDR
-0.0586
Score non-CDR
-0.656

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSSYINWVRQAPGQGLEWMGTINPVSGSTSYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGWFDYWGQGTLVTVSSSALTQPASVSGSPGQSITISCTGTSSDVGSYNYVNWYQQHPGKAPKLMIYGVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCGTFAGGSYYGVFGGGTKLTVLWSHP input.pdb
Selected Chain(s) A (Heavy), B (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 -3.4847
Maximum Score 1.5543
Average Score -0.5334
Total Score -122.143

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

Index Residue Chain A4D Score Classification
1 Q A -1.5118 Soluble
2 V A -0.9597 Soluble
3 Q A -1.2280 Soluble
4 L A 0.0000 Buried
5 V A 0.0507 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.5093 Soluble
8 G A -0.4614 Soluble
9 A A 0.2501 Aggregation-prone
11 E A 0.1201 Aggregation-prone
12 V A 1.0016 Aggregation-prone
13 K A -0.9240 Soluble
14 K A -2.3653 Soluble
15 P A -2.5560 Soluble
16 G A -2.3657 Soluble
17 A A -1.8001 Soluble
18 S A -1.8793 Soluble
19 V A 0.0000 Buried
20 K A -1.9369 Soluble
21 V A 0.0000 Buried
22 S A 0.0000 Buried
23 C A 0.0000 Buried
24 K A -0.7174 Soluble
25 A A 0.0000 Buried
26 S A -0.7194 Soluble
27 G A -1.1050 Soluble
28 Y A -0.4732 Soluble
29 T A -0.1710 Soluble
30 F A 0.0000 Buried
35 T A 0.2833 Aggregation-prone
36 S A 0.0251 Aggregation-prone
37 S A 0.0515 Aggregation-prone
38 Y A 0.1075 Aggregation-prone
39 I A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.3290 Soluble
44 Q A -0.5865 Soluble
45 A A -0.9763 Soluble
46 P A -1.0068 Soluble
47 G A -1.3091 Soluble
48 Q A -1.7645 Soluble
49 G A -1.1806 Soluble
50 L A 0.0000 Buried
51 E A -0.8005 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 T A 0.0000 Buried
56 I A 0.0000 Buried
57 N A -0.0790 Soluble
58 P A 0.0000 Buried
59 V A 1.3934 Aggregation-prone
62 S A 0.4317 Aggregation-prone
63 G A -0.0860 Soluble
64 S A -0.1999 Soluble
65 T A -0.2444 Soluble
66 S A -0.0452 Soluble
67 Y A -0.4132 Soluble
68 A A 0.0000 Buried
69 Q A -2.4650 Soluble
70 K A -2.7074 Soluble
71 F A 0.0000 Buried
72 Q A -2.3905 Soluble
74 G A -1.5846 Soluble
75 R A -1.6176 Soluble
76 V A 0.0000 Buried
77 T A -0.8166 Soluble
78 M A 0.0000 Buried
79 T A -0.7003 Soluble
80 R A -0.7897 Soluble
81 D A -1.1093 Soluble
82 T A 0.0064 Aggregation-prone
83 S A 0.2827 Aggregation-prone
84 I A 1.2480 Aggregation-prone
85 S A 0.0923 Aggregation-prone
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.8793 Soluble
89 M A 0.0000 Buried
90 E A -1.5894 Soluble
91 L A 0.0000 Buried
92 S A -1.9362 Soluble
93 R A -2.7908 Soluble
94 L A 0.0000 Buried
95 R A -3.4847 Soluble
96 S A -2.4258 Soluble
97 D A -2.4955 Soluble
98 D A 0.0000 Buried
99 T A -0.8269 Soluble
100 A A 0.0000 Buried
101 V A 0.3000 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.2416 Soluble
107 G A -0.0756 Soluble
108 G A 0.0000 Buried
114 W A 0.3545 Aggregation-prone
115 F A 0.0000 Buried
116 D A -0.3903 Soluble
117 Y A -0.1315 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.2696 Soluble
121 G A -0.5767 Soluble
122 T A 0.0000 Buried
123 L A 0.8318 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.1271 Soluble
126 V A 0.0000 Buried
127 S A -1.2980 Soluble
128 S A -1.0922 Soluble
2 S B -0.2422 Soluble
3 A B -0.1320 Soluble
4 L B 0.0000 Buried
5 T B -0.2722 Soluble
6 Q B 0.0000 Buried
7 P B -0.4576 Soluble
8 A B -0.5853 Soluble
9 S B -0.8278 Soluble
11 V B -0.2714 Soluble
12 S B -0.4035 Soluble
13 G B 0.0000 Buried
14 S B -0.4559 Soluble
15 P B -0.8068 Soluble
16 G B -1.3893 Soluble
17 Q B -1.6908 Soluble
18 S B -1.1445 Soluble
19 I B 0.0000 Buried
20 T B -0.1284 Soluble
21 I B 0.0000 Buried
22 S B -0.2424 Soluble
23 C B 0.0000 Buried
24 T B -0.4499 Soluble
25 G B -0.5057 Soluble
26 T B -0.6341 Soluble
27 S B -0.7108 Soluble
28 S B -0.5478 Soluble
29 D B -0.5375 Soluble
30 V B 0.0000 Buried
31 G B -0.9377 Soluble
35 S B -0.4843 Soluble
36 Y B -0.0369 Soluble
37 N B -0.8719 Soluble
38 Y B -0.0246 Soluble
39 V B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 H B -1.9966 Soluble
46 P B -1.4354 Soluble
47 G B -1.6766 Soluble
48 K B -2.5133 Soluble
49 A B -1.5730 Soluble
50 P B 0.0000 Buried
51 K B -1.5517 Soluble
52 L B 0.0000 Buried
53 M B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.7252 Soluble
56 G B -0.7363 Soluble
57 V B 0.0000 Buried
65 S B -1.4781 Soluble
66 K B -2.1293 Soluble
67 R B -1.8782 Soluble
68 P B -1.1175 Soluble
69 S B -0.8883 Soluble
70 G B -0.7752 Soluble
71 V B -0.8900 Soluble
72 S B -1.0709 Soluble
74 N B -1.7566 Soluble
75 R B -1.2513 Soluble
76 F B 0.0000 Buried
77 S B -1.1111 Soluble
78 G B -0.8477 Soluble
79 S B -0.9514 Soluble
80 K B -1.0797 Soluble
83 S B -0.8290 Soluble
84 G B -1.0134 Soluble
85 N B -0.9856 Soluble
86 T B -0.7263 Soluble
87 A B 0.0000 Buried
88 S B -0.3703 Soluble
89 L B 0.0000 Buried
90 T B -0.3350 Soluble
91 I B 0.0000 Buried
92 S B -1.1908 Soluble
93 G B -1.2284 Soluble
94 L B 0.0000 Buried
95 Q B -1.9503 Soluble
96 A B -1.4378 Soluble
97 E B -2.5629 Soluble
98 D B 0.0000 Buried
99 E B -2.5402 Soluble
100 A B 0.0000 Buried
101 D B -1.5210 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 G B 0.0000 Buried
106 T B 0.5689 Aggregation-prone
107 F B 0.7509 Aggregation-prone
108 A B 0.0000 Buried
109 G B 0.0000 Buried
110 G B -0.2009 Soluble
113 S B 0.0931 Aggregation-prone
114 Y B 0.9326 Aggregation-prone
115 Y B 1.5543 Aggregation-prone
116 G B 0.0000 Buried
117 V B 0.4636 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -0.9648 Soluble
121 G B -0.9904 Soluble
122 T B 0.0000 Buried
123 K B -2.1412 Soluble
124 L B 0.0000 Buried
125 T B -0.8759 Soluble
126 V B -0.6789 Soluble
127 L B 0.5980 Aggregation-prone
128 W B 1.1169 Aggregation-prone
129 S B -0.1589 Soluble
130 H B -0.8460 Soluble
131 P B -0.7626 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 -0.6389 2.8989 CSV PDB
4.5 -0.659 2.9033 CSV PDB
5.0 -0.6811 2.9162 CSV PDB
5.5 -0.699 2.9473 CSV PDB
6.0 -0.7062 3.0027 CSV PDB
6.5 -0.6977 3.0665 CSV PDB
7.0 -0.6749 3.1132 CSV PDB
7.5 -0.6436 3.1361 CSV PDB
8.0 -0.6081 3.1448 CSV PDB
8.5 -0.5696 3.1477 CSV PDB
9.0 -0.5286 3.1487 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH