Pembrolizumab / 5b8c

A4DAB205_5b8c_B_A | Source PDB: 5b8c | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5695
Max Score
1.7416
Min Score
-3.4085
Total Score
-131.56
Score CDR
-0.513
Score non-CDR
-0.5855

Calculation Parameters

Chain Sequence(s) QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK input.pdb
Selected Chain(s) B (Heavy), A (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 -3.4085
Maximum Score 1.7416
Average Score -0.5695
Total Score -131.5594

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

Index Residue Chain A4D Score Classification
1 Q B -1.3315 Soluble
2 V B -0.6664 Soluble
3 Q B -1.0009 Soluble
4 L B 0.0000 Buried
5 V B 0.2126 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.2011 Soluble
8 G B 0.5619 Aggregation-prone
9 V B 1.7416 Aggregation-prone
11 E B 0.8700 Aggregation-prone
12 V B 1.3608 Aggregation-prone
13 K B -0.3609 Soluble
14 K B -1.7181 Soluble
15 P B -1.6185 Soluble
16 G B -1.3955 Soluble
17 A B -1.2772 Soluble
18 S B -1.9493 Soluble
19 V B 0.0000 Buried
20 K B -2.3315 Soluble
21 V B 0.0000 Buried
22 S B -0.5430 Soluble
23 C B 0.0000 Buried
24 K B -0.6678 Soluble
25 A B 0.0000 Buried
26 S B -0.6002 Soluble
27 G B -0.7079 Soluble
28 Y B -0.2931 Soluble
29 T B -0.1995 Soluble
30 F B 0.0000 Buried
35 T B -0.4224 Soluble
36 N B -0.7325 Soluble
37 Y B -0.1044 Soluble
38 Y B 0.0124 Aggregation-prone
39 M B 0.0000 Buried
40 Y B 0.0245 Aggregation-prone
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.5750 Soluble
45 A B -1.0299 Soluble
46 P B -1.0692 Soluble
47 G B -1.2484 Soluble
48 Q B -1.7892 Soluble
49 G B -1.2617 Soluble
50 L B 0.0000 Buried
51 E B -0.6709 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 G B 0.0000 Buried
56 I B 0.0000 Buried
57 N B -0.9112 Soluble
58 P B 0.0000 Buried
59 S B -1.1410 Soluble
62 N B -1.7316 Soluble
63 G B -1.3759 Soluble
64 G B -1.2483 Soluble
65 T B -1.0395 Soluble
66 N B -1.5481 Soluble
67 F B -1.6215 Soluble
68 N B -2.0744 Soluble
69 E B -3.4085 Soluble
70 K B -3.2286 Soluble
71 F B 0.0000 Buried
72 K B -3.3141 Soluble
74 N B -2.8338 Soluble
75 R B -2.4911 Soluble
76 V B 0.0000 Buried
77 T B -1.2260 Soluble
78 L B 0.0000 Buried
79 T B -0.4194 Soluble
80 T B -0.7971 Soluble
81 D B -1.1165 Soluble
82 S B -0.7796 Soluble
83 S B -0.5948 Soluble
84 T B -0.6302 Soluble
85 T B -0.6879 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5442 Soluble
89 M B 0.0000 Buried
90 E B -2.0718 Soluble
91 L B 0.0000 Buried
92 K B -2.5859 Soluble
93 S B -1.6440 Soluble
94 L B 0.0000 Buried
95 Q B -1.4862 Soluble
96 F B 0.0959 Aggregation-prone
97 D B -1.2497 Soluble
98 D B 0.0000 Buried
99 T B -0.1135 Soluble
100 A B 0.0000 Buried
101 V B 0.4344 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 R B -0.1864 Soluble
108 D B -0.3745 Soluble
109 Y B -0.1478 Soluble
110 R B -1.3107 Soluble
111 F B -0.1267 Soluble
112 D B 0.0000 Buried
113 M B 0.1895 Aggregation-prone
114 G B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.7693 Soluble
117 Y B -0.3929 Soluble
118 W B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.2347 Soluble
121 G B -0.4278 Soluble
122 T B 0.0000 Buried
123 T B 0.7350 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.3959 Aggregation-prone
126 V B 0.0000 Buried
127 S B -0.3283 Soluble
128 S B -0.6173 Soluble
1 E A -1.7774 Soluble
2 I A 0.0000 Buried
3 V A 0.7151 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.4128 Soluble
6 Q A -0.5281 Soluble
7 S A -0.6339 Soluble
8 P A -0.3136 Soluble
9 A A -0.3114 Soluble
10 T A -0.4307 Soluble
11 L A -0.1225 Soluble
12 S A -0.3283 Soluble
13 L A -0.6146 Soluble
14 S A -0.9436 Soluble
15 P A -1.4550 Soluble
16 G A -1.8604 Soluble
17 E A -2.5261 Soluble
18 R A -2.7584 Soluble
19 A A 0.0000 Buried
20 T A -0.6720 Soluble
21 L A 0.0000 Buried
22 S A -0.7885 Soluble
23 C A 0.0000 Buried
24 R A -1.7473 Soluble
25 A A 0.0000 Buried
26 S A -1.0995 Soluble
27 K A -2.1846 Soluble
28 G A -1.7194 Soluble
29 V A 0.0000 Buried
30 S A -0.6351 Soluble
31 T A -0.3493 Soluble
34 S A -0.2154 Soluble
35 G A -0.2002 Soluble
36 Y A 0.3731 Aggregation-prone
37 S A 0.0000 Buried
38 Y A -0.3757 Soluble
39 L A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.5324 Soluble
46 P A -1.0641 Soluble
47 G A -1.3126 Soluble
48 Q A -1.9933 Soluble
49 A A -1.4560 Soluble
50 P A 0.0000 Buried
51 R A -2.0570 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.5568 Aggregation-prone
56 L A 0.0000 Buried
57 A A 0.0000 Buried
65 S A 0.3105 Aggregation-prone
66 Y A 1.0561 Aggregation-prone
67 L A 0.6993 Aggregation-prone
68 E A -0.2603 Soluble
69 S A -0.3876 Soluble
70 G A -0.5756 Soluble
71 V A 0.0000 Buried
72 P A -0.2821 Soluble
74 A A -0.1879 Soluble
75 R A -0.6642 Soluble
76 F A 0.0000 Buried
77 S A -0.0750 Soluble
78 G A -0.0443 Soluble
79 S A -0.5731 Soluble
80 G A -1.0508 Soluble
83 S A -0.9183 Soluble
84 G A -1.1426 Soluble
85 T A -1.6993 Soluble
86 D A -1.9036 Soluble
87 F A 0.0000 Buried
88 T A -0.7333 Soluble
89 L A 0.0000 Buried
90 T A -0.6362 Soluble
91 I A 0.0000 Buried
92 S A -1.3901 Soluble
93 S A -1.7534 Soluble
94 L A 0.0000 Buried
95 E A -2.1664 Soluble
96 P A -1.3922 Soluble
97 E A -2.2021 Soluble
98 D A 0.0000 Buried
99 F A -0.4678 Soluble
100 A A 0.0000 Buried
101 V A -0.4398 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 H A 0.0000 Buried
107 S A -1.0608 Soluble
108 R A -2.2979 Soluble
109 D A -2.3316 Soluble
114 L A -0.9468 Soluble
115 P A -1.2198 Soluble
116 L A 0.0000 Buried
117 T A -0.2988 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 G A -0.6562 Soluble
121 G A -0.5439 Soluble
122 T A 0.0000 Buried
123 K A -0.7593 Soluble
124 V A 0.0000 Buried
125 E A -0.4705 Soluble
126 I A 0.6306 Aggregation-prone
127 K A -0.9878 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.562 2.97 CSV PDB
4.5 -0.5958 2.7935 CSV PDB
5.0 -0.6381 2.6026 CSV PDB
5.5 -0.6799 2.4179 CSV PDB
6.0 -0.7105 2.2519 CSV PDB
6.5 -0.7215 2.1046 CSV PDB
7.0 -0.7118 1.9691 CSV PDB
7.5 -0.6874 1.8418 CSV PDB
8.0 -0.655 1.7268 CSV PDB
8.5 -0.6176 1.9056 CSV PDB
9.0 -0.5764 2.1694 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH