Pembrolizumab / 5b8c

A4DAB205_5b8c_H_G | Source PDB: 5b8c | Chains: H, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5456
Max Score
1.758
Min Score
-3.2746
Total Score
-126.03
Score CDR
-0.4195
Score non-CDR
-0.5813

Calculation Parameters

Chain Sequence(s) QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSEIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK input.pdb
Selected Chain(s) H (Heavy), G (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 -3.2746
Maximum Score 1.758
Average Score -0.5456
Total Score -126.026

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

Index Residue Chain A4D Score Classification
1 Q H -1.4053 Soluble
2 V H -0.7295 Soluble
3 Q H -1.3300 Soluble
4 L H 0.0000 Buried
5 V H -0.2645 Soluble
6 Q H 0.0000 Buried
7 S H -0.2913 Soluble
8 G H 0.3247 Aggregation-prone
9 V H 1.7580 Aggregation-prone
11 E H 0.8443 Aggregation-prone
12 V H 1.3207 Aggregation-prone
13 K H -0.6222 Soluble
14 K H -1.7351 Soluble
15 P H -1.5224 Soluble
16 G H -1.3080 Soluble
17 A H -1.1958 Soluble
18 S H -1.6599 Soluble
19 V H 0.0000 Buried
20 K H -2.1277 Soluble
21 V H 0.0000 Buried
22 S H -0.5753 Soluble
23 C H 0.0000 Buried
24 K H -0.7309 Soluble
25 A H 0.0000 Buried
26 S H -0.7410 Soluble
27 G H -0.7547 Soluble
28 Y H -0.2294 Soluble
29 T H -0.0378 Soluble
30 F H 0.0000 Buried
35 T H -0.2901 Soluble
36 N H -0.4161 Soluble
37 Y H -0.0420 Soluble
38 Y H -0.0487 Soluble
39 M H 0.0000 Buried
40 Y H 0.0474 Aggregation-prone
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.5599 Soluble
45 A H -0.9586 Soluble
46 P H -0.8341 Soluble
47 G H -1.2199 Soluble
48 Q H -1.7309 Soluble
49 G H -1.0983 Soluble
50 L H 0.0000 Buried
51 E H -0.6579 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 N H -0.8698 Soluble
58 P H 0.0000 Buried
59 S H -1.0035 Soluble
62 N H -1.7146 Soluble
63 G H -1.3431 Soluble
64 G H -1.2213 Soluble
65 T H -0.9867 Soluble
66 N H -1.4325 Soluble
67 F H -1.3833 Soluble
68 N H -1.8365 Soluble
69 E H -3.2746 Soluble
70 K H -3.1709 Soluble
71 F H 0.0000 Buried
72 K H -3.2462 Soluble
74 N H -2.6299 Soluble
75 R H -2.0136 Soluble
76 V H 0.0000 Buried
77 T H -0.9567 Soluble
78 L H 0.0000 Buried
79 T H -0.3767 Soluble
80 T H -0.7133 Soluble
81 D H -0.9141 Soluble
82 S H -0.7265 Soluble
83 S H -0.5329 Soluble
84 T H -0.5506 Soluble
85 T H -0.5911 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5475 Soluble
89 M H 0.0000 Buried
90 E H -1.5998 Soluble
91 L H 0.0000 Buried
92 K H -1.9683 Soluble
93 S H -1.5277 Soluble
94 L H 0.0000 Buried
95 Q H -1.3269 Soluble
96 F H 0.1389 Aggregation-prone
97 D H -1.2109 Soluble
98 D H 0.0000 Buried
99 T H -0.1158 Soluble
100 A H 0.0000 Buried
101 V H 0.3996 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 R H -0.0738 Soluble
108 D H -0.3300 Soluble
109 Y H -0.1514 Soluble
110 R H -1.2080 Soluble
111 F H 0.0730 Aggregation-prone
112 D H 0.0000 Buried
113 M H 0.4189 Aggregation-prone
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.4947 Soluble
117 Y H -0.0865 Soluble
118 W H -0.3362 Soluble
119 G H 0.0000 Buried
120 Q H -1.2480 Soluble
121 G H -0.3968 Soluble
122 T H 0.0000 Buried
123 T H 0.6838 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.4038 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.3339 Soluble
128 S H -0.5074 Soluble
1 E G -1.7176 Soluble
2 I G 0.0000 Buried
3 V G 0.6229 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.6206 Soluble
6 Q G 0.0000 Buried
7 S G -0.7201 Soluble
8 P G -0.5136 Soluble
9 A G -0.3987 Soluble
10 T G -0.5741 Soluble
11 L G -0.3268 Soluble
12 S G -0.4892 Soluble
13 L G -0.5699 Soluble
14 S G -0.8369 Soluble
15 P G -1.3278 Soluble
16 G G -1.7462 Soluble
17 E G -2.2365 Soluble
18 R G -2.6051 Soluble
19 A G 0.0000 Buried
20 T G -0.5252 Soluble
21 L G 0.0000 Buried
22 S G -0.9312 Soluble
23 C G 0.0000 Buried
24 R G -2.3632 Soluble
25 A G 0.0000 Buried
26 S G -1.2686 Soluble
27 K G -2.2716 Soluble
28 G G -1.6388 Soluble
29 V G 0.0000 Buried
30 S G -0.5227 Soluble
31 T G -0.2887 Soluble
34 S G -0.2986 Soluble
35 G G -0.3223 Soluble
36 Y G 0.1716 Aggregation-prone
37 S G -0.0951 Soluble
38 Y G -0.1039 Soluble
39 L G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G -1.1946 Soluble
45 K G -1.5172 Soluble
46 P G -0.9629 Soluble
47 G G -1.2613 Soluble
48 Q G -2.0433 Soluble
49 A G -1.4554 Soluble
50 P G 0.0000 Buried
51 R G -2.0262 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.5812 Aggregation-prone
56 L G 0.0000 Buried
57 A G 0.0000 Buried
65 S G 0.1685 Aggregation-prone
66 Y G 0.8828 Aggregation-prone
67 L G 0.6275 Aggregation-prone
68 E G -0.2633 Soluble
69 S G -0.3980 Soluble
70 G G -0.5799 Soluble
71 V G 0.0000 Buried
72 P G -0.3152 Soluble
74 A G -0.2066 Soluble
75 R G -0.6703 Soluble
76 F G 0.0000 Buried
77 S G -0.1677 Soluble
78 G G -0.1118 Soluble
79 S G -0.6394 Soluble
80 G G -1.1888 Soluble
83 S G -1.0642 Soluble
84 G G -1.2698 Soluble
85 T G -1.9852 Soluble
86 D G -2.4546 Soluble
87 F G 0.0000 Buried
88 T G -0.8333 Soluble
89 L G 0.0000 Buried
90 T G -0.6057 Soluble
91 I G 0.0000 Buried
92 S G -1.3080 Soluble
93 S G -1.7160 Soluble
94 L G 0.0000 Buried
95 E G -2.0926 Soluble
96 P G -1.1961 Soluble
97 E G -1.8048 Soluble
98 D G 0.0000 Buried
99 F G -0.5216 Soluble
100 A G 0.0000 Buried
101 V G -0.3591 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 H G 0.0000 Buried
107 S G -0.5781 Soluble
108 R G -1.3229 Soluble
109 D G -1.7274 Soluble
114 L G -0.5991 Soluble
115 P G -1.0090 Soluble
116 L G 0.0000 Buried
117 T G -0.1449 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 G G -0.6795 Soluble
121 G G 0.0000 Buried
122 T G 0.0000 Buried
123 K G -0.8347 Soluble
124 V G 0.0000 Buried
125 E G -0.6003 Soluble
126 I G 0.5943 Aggregation-prone
127 K G -0.9968 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 -0.5246 3.0985 CSV PDB
4.5 -0.5578 2.9268 CSV PDB
5.0 -0.5972 2.7387 CSV PDB
5.5 -0.6341 2.5569 CSV PDB
6.0 -0.6584 2.3943 CSV PDB
6.5 -0.664 2.2502 CSV PDB
7.0 -0.6516 2.1173 CSV PDB
7.5 -0.6268 1.9917 CSV PDB
8.0 -0.5944 1.8767 CSV PDB
8.5 -0.5567 1.786 CSV PDB
9.0 -0.5148 2.0038 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH