Runimotamab / 4x4x

A4DAB231_4x4x_C_D | Source PDB: 4x4x | Chains: C, D | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.6715
Max Score
2.1383
Min Score
-3.003
Total Score
-141.02
Score CDR
-0.7576
Score non-CDR
-0.6507

Calculation Parameters

Chain Sequence(s) VQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWAMDVWGQGTLVTVSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKKAPKLLIYSADFLRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEI input.pdb
Selected Chain(s) C (Heavy), D (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 -3.003
Maximum Score 2.1383
Average Score -0.6715
Total Score -141.0238

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

Index Residue Chain A4D Score Classification
2 V C 1.0635 Aggregation-prone
3 Q C -0.4077 Soluble
4 L C 0.0000 Buried
5 V C 0.4955 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.4029 Soluble
8 G C -0.7250 Soluble
9 G C -0.0616 Soluble
11 G C 0.6642 Aggregation-prone
12 L C 1.4267 Aggregation-prone
13 V C -0.0365 Soluble
14 Q C -1.2980 Soluble
15 P C -1.6606 Soluble
16 G C -1.4832 Soluble
17 G C -1.0363 Soluble
18 S C -1.3691 Soluble
19 L C -1.0475 Soluble
20 R C -2.1254 Soluble
21 L C 0.0000 Buried
22 S C -0.4060 Soluble
23 C C 0.0000 Buried
24 A C -0.2491 Soluble
25 A C 0.0000 Buried
26 S C -0.1215 Soluble
27 G C -0.0746 Soluble
28 F C -0.8169 Soluble
29 N C -2.2121 Soluble
30 I C 0.0000 Buried
35 K C -3.0030 Soluble
36 D C -2.6891 Soluble
37 T C -1.2405 Soluble
38 Y C -0.0935 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6694 Soluble
45 A C -1.0344 Soluble
46 P C -1.1944 Soluble
47 G C -1.6052 Soluble
48 K C -2.4029 Soluble
49 G C 0.0000 Buried
50 L C 0.0000 Buried
51 E C -0.7701 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 R C 0.0000 Buried
56 I C 0.0000 Buried
57 Y C -0.6553 Soluble
58 P C 0.0000 Buried
59 T C -1.5911 Soluble
62 N C -1.5508 Soluble
63 G C -1.1738 Soluble
64 Y C -0.3697 Soluble
65 T C -0.5902 Soluble
66 R C -1.5600 Soluble
67 Y C -1.4995 Soluble
68 A C -1.8077 Soluble
69 D C -2.5834 Soluble
70 S C -1.5085 Soluble
71 V C 0.0000 Buried
72 K C -2.7517 Soluble
74 G C -1.7248 Soluble
75 R C -1.4075 Soluble
76 F C 0.0000 Buried
77 T C -0.9682 Soluble
78 I C 0.0000 Buried
79 S C -0.1546 Soluble
80 A C -0.8847 Soluble
81 D C -1.3655 Soluble
82 T C -1.7783 Soluble
83 S C -1.5967 Soluble
84 K C -2.1876 Soluble
85 N C -1.7883 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.3560 Soluble
89 L C 0.0000 Buried
90 Q C -1.2820 Soluble
91 M C 0.0000 Buried
92 N C -1.5952 Soluble
93 S C -1.3300 Soluble
94 L C 0.0000 Buried
95 R C -2.4160 Soluble
96 A C -1.8062 Soluble
97 E C -2.3021 Soluble
98 D C 0.0000 Buried
99 T C -0.4438 Soluble
100 A C 0.0000 Buried
101 V C 0.7857 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 S C 0.0000 Buried
106 R C -0.5020 Soluble
107 W C -0.2920 Soluble
108 A C -0.1002 Soluble
115 M C 0.0000 Buried
116 D C -1.9250 Soluble
117 V C -1.0943 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.4605 Soluble
121 G C -0.4083 Soluble
122 T C 0.4707 Aggregation-prone
123 L C 1.6895 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.3277 Aggregation-prone
126 V C 0.0000 Buried
127 S C -0.7029 Soluble
1 D D -2.1751 Soluble
2 I D -1.7750 Soluble
3 Q D -2.1226 Soluble
4 M D 0.0000 Buried
5 T D -1.3982 Soluble
6 Q D 0.0000 Buried
7 S D -0.7719 Soluble
8 P D -0.6175 Soluble
9 S D -0.8137 Soluble
10 S D -0.9223 Soluble
11 L D -0.5343 Soluble
12 S D -0.2906 Soluble
13 A D -0.2737 Soluble
14 S D -0.2031 Soluble
15 V D 0.5391 Aggregation-prone
16 G D -0.7678 Soluble
17 D D -1.8387 Soluble
18 R D -2.5842 Soluble
19 V D 0.0000 Buried
20 T D -0.6101 Soluble
21 I D 0.0000 Buried
22 T D -0.8647 Soluble
23 C D 0.0000 Buried
24 R D -2.5895 Soluble
25 A D -2.1302 Soluble
26 S D -2.1405 Soluble
27 Q D -2.8344 Soluble
28 D D -2.8338 Soluble
29 V D 0.0000 Buried
36 N D -2.0016 Soluble
37 T D -1.2828 Soluble
38 A D -0.4155 Soluble
39 V D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -2.6403 Soluble
48 K D -2.8276 Soluble
49 A D -1.9538 Soluble
50 P D 0.0000 Buried
51 K D -2.3212 Soluble
52 L D -0.6654 Soluble
53 L D 0.2785 Aggregation-prone
54 I D 0.0000 Buried
55 Y D 0.9876 Aggregation-prone
56 S D 0.0857 Aggregation-prone
65 A D 0.0000 Buried
72 D D -0.8391 Soluble
73 F D 1.6302 Aggregation-prone
74 L D 2.1383 Aggregation-prone
75 R D -1.7327 Soluble
76 F D -0.6960 Soluble
77 S D -0.4098 Soluble
78 G D -0.7477 Soluble
79 S D -1.5867 Soluble
80 R D -2.6568 Soluble
83 S D -1.6503 Soluble
84 G D -1.1926 Soluble
85 T D -1.8044 Soluble
86 D D -1.7273 Soluble
87 F D 0.0000 Buried
88 T D -1.1686 Soluble
89 L D 0.0000 Buried
90 T D -0.7335 Soluble
91 I D 0.0000 Buried
92 S D -1.7770 Soluble
93 S D -1.5373 Soluble
94 L D 0.0000 Buried
95 Q D -1.0293 Soluble
96 P D -0.6411 Soluble
97 E D -1.6695 Soluble
98 D D 0.0000 Buried
99 F D -0.1564 Soluble
100 A D 0.0000 Buried
101 T D 0.0000 Buried
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.2386 Aggregation-prone
108 Y D 0.2129 Aggregation-prone
109 T D 0.1669 Aggregation-prone
114 T D -0.3434 Soluble
115 P D -0.5173 Soluble
116 P D 0.0000 Buried
117 T D -0.7240 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.9472 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.4829 Soluble
124 V D 0.0000 Buried
125 E D -0.8369 Soluble
126 I D 0.3337 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.6795 4.3769 CSV PDB
4.5 -0.7245 4.2356 CSV PDB
5.0 -0.7773 4.0524 CSV PDB
5.5 -0.8289 3.8497 CSV PDB
6.0 -0.8701 3.6399 CSV PDB
6.5 -0.8952 3.4279 CSV PDB
7.0 -0.9058 3.2155 CSV PDB
7.5 -0.9065 3.1018 CSV PDB
8.0 -0.9004 3.003 CSV PDB
8.5 -0.8871 2.9097 CSV PDB
9.0 -0.8648 2.8298 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH