Bimagrumab / 5nh3

A4DAB047_5nh3_I_M | Source PDB: 5nh3 | Chains: I, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.4895
Max Score
1.6893
Min Score
-3.4982
Total Score
-109.64
Score CDR
0.0095
Score non-CDR
-0.622

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYTFTSSYINWVRQAPGQGLEWMGTINPVSGSTSYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGWFDYWGQGTLVTVSSALTQPASVSGSPGQSITISCTGTSSDVGSYNYVNWYQQHPGKAPKLMIYGVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCGTFAGGSYYGVFGGGTKLTVLW input.pdb
Selected Chain(s) I (Heavy), M (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 -3.4982
Maximum Score 1.6893
Average Score -0.4895
Total Score -109.6439

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

Index Residue Chain A4D Score Classification
2 V I 0.7895 Aggregation-prone
3 Q I -0.5886 Soluble
4 L I 0.0000 Buried
5 V I 0.0357 Aggregation-prone
6 Q I 0.0000 Buried
7 S I -0.5635 Soluble
8 G I -0.5173 Soluble
9 A I 0.2048 Aggregation-prone
11 E I -0.1230 Soluble
12 V I 0.8778 Aggregation-prone
13 K I -1.1050 Soluble
14 K I -2.4041 Soluble
15 P I -2.7133 Soluble
16 G I -2.3340 Soluble
17 A I -1.7949 Soluble
18 S I -1.7836 Soluble
19 V I 0.0000 Buried
20 K I -1.9646 Soluble
21 V I 0.0000 Buried
22 S I -0.6611 Soluble
23 C I 0.0000 Buried
24 K I -0.7493 Soluble
25 A I 0.0000 Buried
26 S I -0.2296 Soluble
27 G I -0.1527 Soluble
28 Y I 0.0671 Aggregation-prone
29 T I -0.0319 Soluble
30 F I 0.0000 Buried
35 T I 0.3519 Aggregation-prone
36 S I 0.0190 Aggregation-prone
37 S I 0.0711 Aggregation-prone
38 Y I 0.1585 Aggregation-prone
39 I I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I -0.3550 Soluble
44 Q I -0.6069 Soluble
45 A I -0.9583 Soluble
46 P I -0.9533 Soluble
47 G I -1.2454 Soluble
48 Q I -1.7399 Soluble
49 G I -1.1851 Soluble
50 L I 0.0000 Buried
51 E I -0.5693 Soluble
52 W I 0.0000 Buried
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 T I 0.0000 Buried
56 I I 0.0000 Buried
57 N I -0.0338 Soluble
58 P I 0.0000 Buried
59 V I 1.4306 Aggregation-prone
62 S I 0.4223 Aggregation-prone
63 G I -0.0745 Soluble
64 S I -0.2011 Soluble
65 T I -0.2741 Soluble
66 S I -0.1513 Soluble
67 Y I -0.6341 Soluble
68 A I -1.0633 Soluble
69 Q I -2.4137 Soluble
70 K I -2.6562 Soluble
71 F I 0.0000 Buried
72 Q I -2.2952 Soluble
74 G I -1.7293 Soluble
75 R I -1.5913 Soluble
76 V I 0.0000 Buried
77 T I -0.7647 Soluble
78 M I 0.0000 Buried
79 T I -0.5874 Soluble
80 R I -0.6739 Soluble
81 D I -0.8472 Soluble
82 T I -0.0113 Soluble
83 S I 0.0647 Aggregation-prone
84 I I 0.6779 Aggregation-prone
85 S I -0.1069 Soluble
86 T I 0.0000 Buried
87 A I 0.0000 Buried
88 Y I -0.7910 Soluble
89 M I 0.0000 Buried
90 E I -1.4224 Soluble
91 L I 0.0000 Buried
92 S I -1.8576 Soluble
93 R I -2.8543 Soluble
94 L I 0.0000 Buried
95 R I -3.4982 Soluble
96 S I -2.4151 Soluble
97 D I -2.5285 Soluble
98 D I 0.0000 Buried
99 T I -0.7964 Soluble
100 A I 0.0000 Buried
101 V I 0.3551 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.0788 Soluble
107 G I -0.0230 Soluble
108 G I 0.0000 Buried
114 W I 0.3607 Aggregation-prone
115 F I 0.0000 Buried
116 D I -0.1754 Soluble
117 Y I 0.1424 Aggregation-prone
118 W I -0.1945 Soluble
119 G I 0.0000 Buried
120 Q I -1.3466 Soluble
121 G I -0.5643 Soluble
122 T I 0.0000 Buried
123 L I 0.9367 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.1795 Soluble
126 V I 0.0000 Buried
127 S I -1.1004 Soluble
2 S M -0.0977 Soluble
3 A M -0.1248 Soluble
4 L M 0.0000 Buried
5 T M -0.3278 Soluble
6 Q M -0.5824 Soluble
7 P M -0.5288 Soluble
8 A M -0.6731 Soluble
9 S M -0.8722 Soluble
11 V M -0.3738 Soluble
12 S M -0.2367 Soluble
13 G M -0.1321 Soluble
14 S M -0.1656 Soluble
15 P M -0.6188 Soluble
16 G M -1.3992 Soluble
17 Q M -1.7350 Soluble
18 S M -1.0983 Soluble
19 I M 0.0000 Buried
20 T M -0.1433 Soluble
21 I M 0.0000 Buried
22 S M -0.2598 Soluble
23 C M 0.0000 Buried
24 T M -0.5144 Soluble
25 G M -0.5818 Soluble
26 T M -0.7240 Soluble
27 S M -0.7570 Soluble
28 S M -0.5998 Soluble
29 D M -0.7031 Soluble
30 V M 0.0000 Buried
31 G M -1.0546 Soluble
35 S M -0.5145 Soluble
36 Y M 0.0106 Aggregation-prone
37 N M -0.8961 Soluble
38 Y M 0.0650 Aggregation-prone
39 V M 0.0000 Buried
40 N M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 H M -1.6045 Soluble
46 P M -1.3050 Soluble
47 G M -1.5869 Soluble
48 K M -2.4637 Soluble
49 A M -1.5259 Soluble
50 P M 0.0000 Buried
51 K M -1.3783 Soluble
52 L M 0.0000 Buried
53 M M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.7321 Soluble
56 G M -0.7555 Soluble
57 V M 0.0000 Buried
65 S M -1.4751 Soluble
66 K M -2.1134 Soluble
67 R M -1.7442 Soluble
68 P M -1.0714 Soluble
69 S M -0.8514 Soluble
70 G M -0.7429 Soluble
71 V M -0.7983 Soluble
72 S M -1.0191 Soluble
74 N M -1.7116 Soluble
75 R M -1.2640 Soluble
76 F M 0.0000 Buried
77 S M -1.0328 Soluble
78 G M -0.8151 Soluble
79 S M -0.9376 Soluble
80 K M -1.1129 Soluble
83 S M -0.8573 Soluble
84 G M -1.0702 Soluble
85 N M -1.0834 Soluble
86 T M -0.7649 Soluble
87 A M 0.0000 Buried
88 S M -0.3759 Soluble
89 L M 0.0000 Buried
90 T M -0.3191 Soluble
91 I M 0.0000 Buried
92 S M -1.1935 Soluble
93 G M -1.1884 Soluble
94 L M 0.0000 Buried
95 Q M -1.7833 Soluble
96 A M -1.2227 Soluble
97 E M -2.3343 Soluble
98 D M 0.0000 Buried
99 E M -1.9976 Soluble
100 A M 0.0000 Buried
101 D M -1.3973 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 G M 0.0000 Buried
106 T M 0.5640 Aggregation-prone
107 F M 0.7445 Aggregation-prone
108 A M 0.0000 Buried
109 G M 0.0000 Buried
110 G M -0.2254 Soluble
113 S M 0.0937 Aggregation-prone
114 Y M 0.9394 Aggregation-prone
115 Y M 1.5068 Aggregation-prone
116 G M 0.9353 Aggregation-prone
117 V M 0.5880 Aggregation-prone
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 G M -0.8017 Soluble
121 G M -1.0483 Soluble
122 T M 0.0000 Buried
123 K M -2.0752 Soluble
124 L M 0.0000 Buried
125 T M -0.4889 Soluble
126 V M 0.0000 Buried
127 L M 1.5025 Aggregation-prone
128 W M 1.6893 Aggregation-prone

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 -0.5838 4.2417 CSV PDB
4.5 -0.6025 4.2417 CSV PDB
5.0 -0.6233 4.2417 CSV PDB
5.5 -0.6411 4.2417 CSV PDB
6.0 -0.6496 4.2417 CSV PDB
6.5 -0.6431 4.2417 CSV PDB
7.0 -0.6216 4.2417 CSV PDB
7.5 -0.59 4.2417 CSV PDB
8.0 -0.5528 4.2417 CSV PDB
8.5 -0.5119 4.2417 CSV PDB
9.0 -0.4682 4.2417 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH