Rontalizumab / 4z5r

A4DAB228_4z5r_Z_Y | Source PDB: 4z5r | Chains: Z, Y | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.571
Max Score
1.2958
Min Score
-3.0328
Total Score
-129.62
Score CDR
-0.1485
Score non-CDR
-0.6843

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEI input.pdb
Selected Chain(s) Z (Heavy), Y (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 -3.0328
Maximum Score 1.2958
Average Score -0.571
Total Score -129.621

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

Index Residue Chain A4D Score Classification
1 E Z -2.1185 Soluble
2 V Z -1.2868 Soluble
3 Q Z -1.3582 Soluble
4 L Z 0.0000 Buried
5 V Z 0.4719 Aggregation-prone
6 E Z 0.0000 Buried
7 S Z -0.4072 Soluble
8 G Z -0.7212 Soluble
9 G Z -0.0494 Soluble
11 G Z 0.7330 Aggregation-prone
12 L Z 1.2958 Aggregation-prone
13 V Z -0.1078 Soluble
14 Q Z -1.3590 Soluble
15 P Z -1.6711 Soluble
16 G Z -1.4802 Soluble
17 G Z -1.0003 Soluble
18 S Z -1.3524 Soluble
19 L Z -1.1621 Soluble
20 R Z -2.2871 Soluble
21 L Z 0.0000 Buried
22 S Z -0.5025 Soluble
23 C Z 0.0000 Buried
24 A Z -0.2961 Soluble
25 T Z 0.0000 Buried
26 S Z -1.0183 Soluble
27 G Z -1.3129 Soluble
28 Y Z -0.9027 Soluble
29 T Z -0.6638 Soluble
30 F Z 0.0000 Buried
35 T Z -1.4905 Soluble
36 E Z -1.7661 Soluble
37 Y Z -0.3876 Soluble
38 I Z 0.3644 Aggregation-prone
39 I Z 0.0000 Buried
40 H Z 0.0000 Buried
41 W Z 0.0000 Buried
42 V Z 0.0000 Buried
43 R Z 0.0000 Buried
44 Q Z -0.5739 Soluble
45 A Z -1.0403 Soluble
46 P Z -0.8640 Soluble
47 G Z -1.4690 Soluble
48 K Z -2.3193 Soluble
49 G Z -1.5486 Soluble
50 L Z 0.0000 Buried
51 E Z -0.7122 Soluble
52 W Z 0.0000 Buried
53 V Z 0.0000 Buried
54 A Z 0.0000 Buried
55 S Z 0.0000 Buried
56 I Z 0.0000 Buried
57 N Z -0.3507 Soluble
58 P Z 0.0000 Buried
59 D Z -1.9298 Soluble
62 Y Z 0.0199 Aggregation-prone
63 D Z -0.8142 Soluble
64 I Z 0.8018 Aggregation-prone
65 T Z 0.3389 Aggregation-prone
66 N Z -0.2372 Soluble
67 Y Z -1.1358 Soluble
68 N Z -1.6188 Soluble
69 Q Z -2.9149 Soluble
70 R Z -3.0328 Soluble
71 F Z 0.0000 Buried
72 K Z -2.9868 Soluble
74 G Z -1.9719 Soluble
75 R Z -1.5438 Soluble
76 F Z 0.0000 Buried
77 T Z -1.0352 Soluble
78 I Z 0.0000 Buried
79 S Z -0.4127 Soluble
80 L Z -1.0061 Soluble
81 D Z -1.9303 Soluble
82 K Z -2.7516 Soluble
83 S Z -2.0556 Soluble
84 K Z -2.6719 Soluble
85 R Z -2.0605 Soluble
86 T Z 0.0000 Buried
87 A Z 0.0000 Buried
88 Y Z -0.6117 Soluble
89 L Z 0.0000 Buried
90 Q Z -1.6301 Soluble
91 M Z 0.0000 Buried
92 N Z -1.4441 Soluble
93 S Z -1.2699 Soluble
94 L Z 0.0000 Buried
95 R Z -2.4861 Soluble
96 A Z -1.8590 Soluble
97 E Z -2.2817 Soluble
98 D Z 0.0000 Buried
99 T Z -0.4411 Soluble
100 A Z 0.0000 Buried
101 V Z 0.5944 Aggregation-prone
102 Y Z 0.0000 Buried
103 Y Z 0.0000 Buried
104 C Z 0.0000 Buried
105 A Z 0.0000 Buried
106 S Z 0.0000 Buried
107 W Z 0.0000 Buried
108 I Z 1.1799 Aggregation-prone
109 S Z 0.5747 Aggregation-prone
113 D Z 0.1158 Aggregation-prone
114 F Z 0.1817 Aggregation-prone
115 F Z 0.0000 Buried
116 D Z -0.2064 Soluble
117 Y Z 0.1292 Aggregation-prone
118 W Z -0.4574 Soluble
119 G Z 0.0000 Buried
120 Q Z -1.3792 Soluble
121 G Z -0.4403 Soluble
122 T Z 0.3136 Aggregation-prone
123 L Z 1.2232 Aggregation-prone
124 V Z 0.0000 Buried
125 T Z 0.2569 Aggregation-prone
126 V Z 0.0000 Buried
127 S Z -0.5868 Soluble
128 S Z -0.5624 Soluble
1 D Y -2.2367 Soluble
2 I Y 0.0000 Buried
3 Q Y -2.2028 Soluble
4 M Y 0.0000 Buried
5 T Y -1.2866 Soluble
6 Q Y 0.0000 Buried
7 S Y -0.7387 Soluble
8 P Y -0.4824 Soluble
9 S Y -0.8260 Soluble
10 S Y -0.9816 Soluble
11 L Y -0.5332 Soluble
12 S Y -0.4752 Soluble
13 A Y -0.2942 Soluble
14 S Y -0.0471 Soluble
15 V Y 0.4994 Aggregation-prone
16 G Y -0.7882 Soluble
17 D Y -1.5378 Soluble
18 R Y -2.3031 Soluble
19 V Y 0.0000 Buried
20 T Y -0.6089 Soluble
21 I Y 0.0000 Buried
22 T Y -0.8005 Soluble
23 C Y 0.0000 Buried
24 R Y -2.2981 Soluble
25 A Y 0.0000 Buried
26 S Y -1.8033 Soluble
27 Q Y -1.8261 Soluble
28 S Y -0.9281 Soluble
29 V Y 0.0000 Buried
30 S Y 0.1421 Aggregation-prone
31 T Y 0.2508 Aggregation-prone
34 S Y -0.0308 Soluble
35 S Y 0.2691 Aggregation-prone
36 Y Y 1.1861 Aggregation-prone
37 S Y 0.0000 Buried
38 Y Y 0.6591 Aggregation-prone
39 M Y 0.0000 Buried
40 H Y 0.0000 Buried
41 W Y 0.0000 Buried
42 Y Y 0.0000 Buried
43 Q Y 0.0000 Buried
44 Q Y 0.0000 Buried
45 K Y -1.8192 Soluble
46 P Y -1.2528 Soluble
47 G Y -1.7419 Soluble
48 K Y -2.6513 Soluble
49 A Y -1.6368 Soluble
50 P Y 0.0000 Buried
51 K Y -1.7949 Soluble
52 V Y -0.5772 Soluble
53 L Y 0.0000 Buried
54 I Y 0.0000 Buried
55 S Y 0.0000 Buried
56 Y Y 0.2972 Aggregation-prone
57 A Y 0.0000 Buried
65 S Y -0.4313 Soluble
66 N Y -0.7030 Soluble
67 L Y -0.1531 Soluble
68 E Y -0.6091 Soluble
69 S Y -0.4995 Soluble
70 G Y -0.5335 Soluble
71 V Y -0.3695 Soluble
72 P Y -0.3556 Soluble
74 S Y -0.4325 Soluble
75 R Y -0.7905 Soluble
76 F Y 0.0000 Buried
77 S Y -0.4512 Soluble
78 G Y -0.4030 Soluble
79 S Y -0.7773 Soluble
80 G Y -1.0677 Soluble
83 S Y -0.6775 Soluble
84 G Y -0.8837 Soluble
85 T Y -1.6450 Soluble
86 D Y -2.3595 Soluble
87 F Y 0.0000 Buried
88 T Y -0.7759 Soluble
89 L Y 0.0000 Buried
90 T Y -0.6019 Soluble
91 I Y 0.0000 Buried
92 S Y -1.3694 Soluble
93 S Y -1.1102 Soluble
94 L Y 0.0000 Buried
95 Q Y -0.5227 Soluble
96 P Y -0.7310 Soluble
97 E Y -1.6200 Soluble
98 D Y 0.0000 Buried
99 F Y -0.6346 Soluble
100 A Y 0.0000 Buried
101 T Y -0.9050 Soluble
102 Y Y 0.0000 Buried
103 Y Y 0.0000 Buried
104 C Y 0.0000 Buried
105 Q Y 0.0000 Buried
106 H Y 0.0000 Buried
107 S Y 0.2157 Aggregation-prone
108 W Y 0.1823 Aggregation-prone
109 G Y -0.0289 Soluble
114 I Y 0.1560 Aggregation-prone
115 P Y 0.0000 Buried
116 R Y -0.3939 Soluble
117 T Y -0.7268 Soluble
118 F Y 0.0000 Buried
119 G Y 0.0000 Buried
120 Q Y -1.7050 Soluble
121 G Y 0.0000 Buried
122 T Y 0.0000 Buried
123 K Y -1.6413 Soluble
124 V Y 0.0000 Buried
125 E Y -0.9767 Soluble
126 I Y 0.6613 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
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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 -0.5783 2.7487 CSV PDB
4.5 -0.6205 2.5219 CSV PDB
5.0 -0.6708 2.2642 CSV PDB
5.5 -0.7208 1.9928 CSV PDB
6.0 -0.7614 1.9388 CSV PDB
6.5 -0.7853 1.9388 CSV PDB
7.0 -0.7917 1.9388 CSV PDB
7.5 -0.7858 1.9388 CSV PDB
8.0 -0.7726 1.9388 CSV PDB
8.5 -0.7534 1.9388 CSV PDB
9.0 -0.7276 1.9388 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH