Omalizumab / 7shy

A4DAB191_7shy_K_L | Source PDB: 7shy | Chains: K, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6336
Max Score
1.6315
Min Score
-3.0692
Total Score
-146.37
Score CDR
-0.4971
Score non-CDR
-0.6733

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIK input.pdb
Selected Chain(s) K (Heavy), L (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 -3.0692
Maximum Score 1.6315
Average Score -0.6336
Total Score -146.3697

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

Index Residue Chain A4D Score Classification
1 E K -2.2050 Soluble
2 V K -1.3754 Soluble
3 Q K -1.6139 Soluble
4 L K 0.0000 Buried
5 V K 0.2633 Aggregation-prone
6 E K 0.0000 Buried
7 S K -0.2824 Soluble
8 G K -0.9254 Soluble
9 G K -0.0029 Soluble
11 G K 0.8505 Aggregation-prone
12 L K 1.4842 Aggregation-prone
13 V K 0.0383 Aggregation-prone
14 Q K -1.2563 Soluble
15 P K -1.4331 Soluble
16 G K -1.5006 Soluble
17 G K -1.2431 Soluble
18 S K -1.6461 Soluble
19 L K -1.3646 Soluble
20 R K -2.4183 Soluble
21 L K 0.0000 Buried
22 S K -0.7517 Soluble
23 C K 0.0000 Buried
24 A K -0.3679 Soluble
25 V K 0.0000 Buried
26 S K -1.1196 Soluble
27 G K -1.2602 Soluble
28 Y K -0.4418 Soluble
29 S K -0.5901 Soluble
30 I K 0.0000 Buried
31 T K -0.8200 Soluble
35 S K -0.4021 Soluble
36 G K -0.0713 Soluble
37 Y K 0.1885 Aggregation-prone
38 S K 0.0000 Buried
39 W K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 I K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.6784 Soluble
45 A K -1.1831 Soluble
46 P K -0.8827 Soluble
47 G K -1.5628 Soluble
48 K K -2.3510 Soluble
49 G K -1.5663 Soluble
50 L K 0.0000 Buried
51 E K -0.9129 Soluble
52 W K 0.0000 Buried
53 V K 0.0000 Buried
54 A K 0.0000 Buried
55 S K 0.0000 Buried
56 I K 0.0000 Buried
57 T K -0.5222 Soluble
58 Y K -0.5626 Soluble
59 D K -1.6235 Soluble
63 G K -1.2023 Soluble
64 S K -0.8161 Soluble
65 T K -0.6197 Soluble
66 N K -1.1325 Soluble
67 Y K -1.0159 Soluble
68 N K 0.0000 Buried
69 P K -1.5259 Soluble
70 S K -0.9389 Soluble
71 V K 0.0000 Buried
72 K K -2.2340 Soluble
74 G K -1.6766 Soluble
75 R K -1.6766 Soluble
76 I K 0.0000 Buried
77 T K -1.2210 Soluble
78 I K 0.0000 Buried
79 S K -0.7741 Soluble
80 R K -1.7674 Soluble
81 D K -2.3755 Soluble
82 D K -2.9091 Soluble
83 S K -2.2430 Soluble
84 K K -2.7353 Soluble
85 N K -2.1154 Soluble
86 T K 0.0000 Buried
87 F K 0.0000 Buried
88 Y K 0.0000 Buried
89 L K 0.0000 Buried
90 Q K -1.7977 Soluble
91 M K 0.0000 Buried
92 N K -2.0633 Soluble
93 S K -1.5135 Soluble
94 L K 0.0000 Buried
95 R K -2.3477 Soluble
96 A K -1.6979 Soluble
97 E K -2.1950 Soluble
98 D K 0.0000 Buried
99 T K -0.3972 Soluble
100 A K 0.0000 Buried
101 V K 0.5852 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 R K 0.0000 Buried
107 G K 0.0000 Buried
108 S K -0.2371 Soluble
109 H K -0.3186 Soluble
110 Y K 0.5674 Aggregation-prone
111 F K 1.3450 Aggregation-prone
112A G K 0.2720 Aggregation-prone
112 H K -0.1617 Soluble
113 W K 0.0676 Aggregation-prone
114 H K 0.0000 Buried
115 F K 0.0000 Buried
116 A K -0.1680 Soluble
117 V K 0.0183 Aggregation-prone
118 W K -0.4410 Soluble
119 G K 0.0000 Buried
120 Q K -1.5875 Soluble
121 G K 0.0000 Buried
122 T K 0.4551 Aggregation-prone
123 L K 1.6315 Aggregation-prone
124 V K 0.0000 Buried
125 T K 0.3903 Aggregation-prone
126 V K 0.0000 Buried
127 S K -0.5436 Soluble
1 D L -2.9041 Soluble
2 I L 0.0000 Buried
3 Q L -2.1850 Soluble
4 L L 0.0000 Buried
5 T L -1.0789 Soluble
6 Q L 0.0000 Buried
7 S L -0.7721 Soluble
8 P L -0.5564 Soluble
9 S L -0.8849 Soluble
10 S L -1.1150 Soluble
11 L L -0.7025 Soluble
12 S L -0.8061 Soluble
13 A L -0.6359 Soluble
14 S L -0.3535 Soluble
15 V L 0.3764 Aggregation-prone
16 G L -0.8124 Soluble
17 D L -1.7067 Soluble
18 R L -2.3422 Soluble
19 V L 0.0000 Buried
20 T L -0.6583 Soluble
21 I L 0.0000 Buried
22 T L -0.7454 Soluble
23 C L 0.0000 Buried
24 R L -2.2282 Soluble
25 A L -1.7841 Soluble
26 S L -1.8580 Soluble
27 Q L -2.1485 Soluble
28 S L -1.3782 Soluble
29 V L 0.0000 Buried
30 D L -0.9922 Soluble
31 Y L -0.3355 Soluble
34 D L -1.4675 Soluble
35 G L -1.2915 Soluble
36 D L -0.7791 Soluble
37 S L 0.0000 Buried
38 Y L 0.0000 Buried
39 M L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.7916 Soluble
46 P L -1.2649 Soluble
47 G L -1.7213 Soluble
48 K L -2.6116 Soluble
49 A L -1.6457 Soluble
50 P L 0.0000 Buried
51 K L -1.3518 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5169 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1636 Aggregation-prone
66 Y L 0.8000 Aggregation-prone
67 L L 0.6219 Aggregation-prone
68 E L -0.1507 Soluble
69 S L -0.3237 Soluble
70 G L -0.5113 Soluble
71 V L -0.3055 Soluble
72 P L -0.2985 Soluble
74 S L -0.3517 Soluble
75 R L -0.7202 Soluble
76 F L 0.0000 Buried
77 S L -0.0981 Soluble
78 G L -0.0428 Soluble
79 S L -0.5237 Soluble
80 G L -0.8383 Soluble
83 S L -1.0485 Soluble
84 G L -1.1350 Soluble
85 T L -1.6600 Soluble
86 D L -1.9922 Soluble
87 F L 0.0000 Buried
88 T L -0.6758 Soluble
89 L L 0.0000 Buried
90 T L -0.5914 Soluble
91 I L 0.0000 Buried
92 S L -1.2778 Soluble
93 S L -1.1573 Soluble
94 L L 0.0000 Buried
95 Q L -0.7971 Soluble
96 P L -0.5318 Soluble
97 E L -1.4572 Soluble
98 D L 0.0000 Buried
99 F L -0.8509 Soluble
100 A L 0.0000 Buried
101 T L -1.2082 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.0000 Buried
108 H L -1.4599 Soluble
109 E L -3.0010 Soluble
114 D L -3.0692 Soluble
115 P L 0.0000 Buried
116 Y L -1.4545 Soluble
117 T L -1.2767 Soluble
118 F L -0.3821 Soluble
119 G L 0.0000 Buried
120 Q L -1.4300 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.8603 Soluble
124 V L 0.0000 Buried
125 E L -1.3638 Soluble
126 I L 0.1302 Aggregation-prone
127 K L -0.9952 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 -0.597 3.6416 CSV PDB
4.5 -0.6446 3.6002 CSV PDB
5.0 -0.7003 3.5572 CSV PDB
5.5 -0.7551 3.5249 CSV PDB
6.0 -0.7994 3.5151 CSV PDB
6.5 -0.8264 3.5234 CSV PDB
7.0 -0.8368 3.5251 CSV PDB
7.5 -0.8363 3.5038 CSV PDB
8.0 -0.8291 3.4655 CSV PDB
8.5 -0.8155 3.4241 CSV PDB
9.0 -0.7942 3.3908 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH