Omalizumab / 5hys

A4DAB191_5hys_C_D | Source PDB: 5hys | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7049
Max Score
1.4502
Min Score
-3.4153
Total Score
-309.45
Score CDR
-0.4385
Score non-CDR
-0.7407

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4153
Maximum Score 1.4502
Average Score -0.7049
Total Score -309.4499

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

Index Residue Chain A4D Score Classification
1 E C -2.1210 Soluble
2 V C -1.3963 Soluble
3 Q C -1.3298 Soluble
4 L C 0.0000 Buried
5 V C 1.1676 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3257 Soluble
8 G C -0.9516 Soluble
9 G C -0.6305 Soluble
11 G C 0.0000 Buried
12 L C 0.0498 Aggregation-prone
13 V C -0.5422 Soluble
14 Q C -1.5015 Soluble
15 P C -1.4005 Soluble
16 G C -1.3736 Soluble
17 G C -1.1412 Soluble
18 S C -1.4512 Soluble
19 L C 0.0000 Buried
20 R C -2.2314 Soluble
21 L C 0.0000 Buried
22 S C -0.4796 Soluble
23 C C 0.0000 Buried
24 A C -0.0367 Soluble
25 V C 0.0000 Buried
26 S C -0.9304 Soluble
27 G C -1.2062 Soluble
28 Y C -0.4892 Soluble
29 S C -0.5041 Soluble
30 I C 0.0000 Buried
31 T C -0.6531 Soluble
35 S C -0.1641 Soluble
36 G C -0.0277 Soluble
37 Y C 0.1925 Aggregation-prone
38 S C 0.0000 Buried
39 W C 0.0000 Buried
40 N C 0.0000 Buried
41 W C 0.0000 Buried
42 I C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6980 Soluble
45 A C -1.1721 Soluble
46 P C -1.1711 Soluble
47 G C -1.5832 Soluble
48 K C -2.4163 Soluble
49 G C -1.6739 Soluble
50 L C 0.0000 Buried
51 E C -0.8657 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 S C -0.2929 Soluble
56 I C 0.0000 Buried
57 T C -0.3029 Soluble
58 Y C -0.1334 Soluble
59 D C -1.4880 Soluble
63 G C -1.0419 Soluble
64 S C -0.7963 Soluble
65 T C -0.6002 Soluble
66 N C -1.0860 Soluble
67 Y C -1.0196 Soluble
68 N C 0.0000 Buried
69 P C -1.4829 Soluble
70 S C -0.9101 Soluble
71 V C 0.0000 Buried
72 K C -2.2019 Soluble
74 G C -1.5773 Soluble
75 R C -1.4052 Soluble
76 I C 0.0000 Buried
77 T C -0.9426 Soluble
78 I C 0.0000 Buried
79 S C -0.7774 Soluble
80 R C -1.5730 Soluble
81 D C -2.1473 Soluble
82 D C -2.6982 Soluble
83 S C -2.0851 Soluble
84 K C -2.6587 Soluble
85 N C -2.0005 Soluble
86 T C -1.2596 Soluble
87 F C 0.0000 Buried
88 Y C -0.7441 Soluble
89 L C 0.0000 Buried
90 Q C -1.2977 Soluble
91 M C 0.0000 Buried
92 N C -1.5774 Soluble
93 S C -1.2882 Soluble
94 L C 0.0000 Buried
95 R C -2.2414 Soluble
96 A C -1.6073 Soluble
97 E C -2.2156 Soluble
98 D C 0.0000 Buried
99 T C -0.6414 Soluble
100 A C 0.0000 Buried
101 V C 0.2801 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.1538 Soluble
107 G C 0.0000 Buried
108 S C -0.2658 Soluble
109 H C -0.4334 Soluble
110 Y C 0.5402 Aggregation-prone
111 F C 1.4502 Aggregation-prone
112A G C 0.4267 Aggregation-prone
112 H C -0.0743 Soluble
113 W C 0.0362 Aggregation-prone
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 A C -0.3134 Soluble
117 V C -0.1574 Soluble
118 W C -0.4443 Soluble
119 G C 0.0000 Buried
120 Q C -1.2951 Soluble
121 G C 0.0000 Buried
122 T C 0.0629 Aggregation-prone
123 L C 0.1132 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.2657 Soluble
126 V C -0.7371 Soluble
127 S C -0.6049 Soluble
128 S C -0.5584 Soluble
129 A C -0.3965 Soluble
130 S C -0.5674 Soluble
131 T C -0.9315 Soluble
132 K C -1.3718 Soluble
133 G C -1.5167 Soluble
134 P C 0.0000 Buried
135 S C -0.3272 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.0939 Soluble
139 L C 0.0000 Buried
140 A C -1.2121 Soluble
141 P C 0.0000 Buried
142 S C -1.2255 Soluble
143 S C -1.1029 Soluble
144 K C -1.3758 Soluble
145 S C 0.0000 Buried
146 T C -0.7934 Soluble
147 S C -0.7556 Soluble
148 G C -0.8417 Soluble
149 G C -0.8791 Soluble
150 T C -0.5948 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.4907 Soluble
160 Y C 0.0000 Buried
161 F C -0.2458 Soluble
162 P C 0.0000 Buried
163 E C -0.3450 Soluble
164 P C -0.5475 Soluble
165 V C -0.5962 Soluble
166 T C -0.5654 Soluble
167 V C -0.1909 Soluble
168 S C -0.3712 Soluble
169 W C 0.0000 Buried
170 N C -0.6519 Soluble
171 S C -0.6402 Soluble
172 G C -0.5146 Soluble
173 A C -0.2464 Soluble
174 L C -0.0161 Soluble
175 T C -0.1936 Soluble
176 S C -0.2172 Soluble
177 G C -0.2786 Soluble
178 V C 0.1327 Aggregation-prone
179 H C -0.2549 Soluble
180 T C 0.0231 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.2084 Soluble
183 A C 0.3170 Aggregation-prone
184 V C 0.6359 Aggregation-prone
185 L C 1.0350 Aggregation-prone
186 Q C 0.1861 Aggregation-prone
187 S C -0.1120 Soluble
188 S C -0.2737 Soluble
189 G C -0.0081 Soluble
190 L C 0.1242 Aggregation-prone
191 Y C 0.4601 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1463 Soluble
199 V C 0.0000 Buried
200 P C -0.5407 Soluble
201 S C -0.6723 Soluble
202 S C -0.5887 Soluble
203 S C -0.5715 Soluble
204 L C -0.7790 Soluble
205 G C -0.9656 Soluble
206 T C -0.6750 Soluble
207 Q C -1.1398 Soluble
208 T C -1.0516 Soluble
209 Y C 0.0000 Buried
210 I C -1.1205 Soluble
211 C C 0.0000 Buried
212 N C -1.4500 Soluble
213 V C 0.0000 Buried
214 N C -1.9691 Soluble
215 H C 0.0000 Buried
216 K C -2.7733 Soluble
217 P C -1.5701 Soluble
218 S C -1.8488 Soluble
219 N C -2.7034 Soluble
220 T C -2.1538 Soluble
221 K C -2.7660 Soluble
222 V C -1.7275 Soluble
223 D C -2.6138 Soluble
224 K C -2.2890 Soluble
225 K C -2.4543 Soluble
226 V C 0.0000 Buried
227 E C -2.7752 Soluble
228 P C -2.0704 Soluble
229 K C -2.2091 Soluble
1 D D -2.8240 Soluble
2 I D 0.0000 Buried
3 Q D -2.2672 Soluble
4 L D 0.0000 Buried
5 T D -1.3341 Soluble
6 Q D 0.0000 Buried
7 S D -0.8065 Soluble
8 P D -0.4645 Soluble
9 S D -0.8054 Soluble
10 S D -0.7708 Soluble
11 L D -0.5114 Soluble
12 S D -0.8132 Soluble
13 A D -1.0443 Soluble
14 S D -1.0043 Soluble
15 V D -0.3088 Soluble
16 G D -1.0313 Soluble
17 D D -2.0970 Soluble
18 R D -2.5176 Soluble
19 V D 0.0000 Buried
20 T D -0.6238 Soluble
21 I D 0.0000 Buried
22 T D -0.9552 Soluble
23 C D 0.0000 Buried
24 R D -2.9298 Soluble
25 A D 0.0000 Buried
26 S D -1.8834 Soluble
27 Q D -1.8903 Soluble
28 S D -1.2808 Soluble
29 V D 0.0000 Buried
30 D D -1.0427 Soluble
31 Y D -0.1092 Soluble
34 D D -1.4084 Soluble
35 G D -1.2943 Soluble
36 D D -0.7161 Soluble
37 S D 0.0000 Buried
38 Y D 0.0000 Buried
39 M D 0.0000 Buried
40 N 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 -1.2960 Soluble
45 K D -1.6940 Soluble
46 P D -1.4252 Soluble
47 G D -1.7692 Soluble
48 K D -2.5549 Soluble
49 A D -1.6511 Soluble
50 P D 0.0000 Buried
51 K D -1.7531 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5138 Aggregation-prone
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D 0.0904 Aggregation-prone
66 Y D 0.8124 Aggregation-prone
67 L D 0.7025 Aggregation-prone
68 E D -0.1683 Soluble
69 S D -0.3313 Soluble
70 G D -0.5192 Soluble
71 V D -0.3982 Soluble
72 P D -0.3369 Soluble
74 S D -0.4492 Soluble
75 R D -0.8402 Soluble
76 F D 0.0000 Buried
77 S D -0.1678 Soluble
78 G D 0.0000 Buried
79 S D -0.7520 Soluble
80 G D -1.4489 Soluble
83 S D -1.5783 Soluble
84 G D -1.3849 Soluble
85 T D -2.0672 Soluble
86 D D -2.8100 Soluble
87 F D 0.0000 Buried
88 T D -0.9290 Soluble
89 L D 0.0000 Buried
90 T D -0.6336 Soluble
91 I D 0.0000 Buried
92 S D -1.5193 Soluble
93 S D -1.3282 Soluble
94 L D 0.0000 Buried
95 Q D -1.2794 Soluble
96 P D -1.6616 Soluble
97 E D -2.0459 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 T D -0.8169 Soluble
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 S D 0.0000 Buried
108 H D -1.1351 Soluble
109 E D -2.5124 Soluble
114 D D -2.8282 Soluble
115 P D 0.0000 Buried
116 Y D -1.2806 Soluble
117 T D -1.2374 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.9980 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.4346 Soluble
124 V D 0.0000 Buried
125 E D -1.1209 Soluble
126 I D 0.0000 Buried
127 K D -1.2707 Soluble
128 R D -0.7961 Soluble
129 T D -0.0083 Soluble
130 V D 0.5963 Aggregation-prone
131 A D 0.1324 Aggregation-prone
132 A D -0.0628 Soluble
133 P D 0.0000 Buried
134 S D -0.2160 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.8799 Soluble
140 P D -0.8304 Soluble
141 S D -1.6202 Soluble
142 D D -2.8835 Soluble
143 E D -2.8902 Soluble
144 Q D 0.0000 Buried
145 L D -2.3104 Soluble
146 K D -2.8121 Soluble
147 S D -1.7271 Soluble
148 G D -1.2496 Soluble
149 T D -0.9997 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.7301 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.2613 Soluble
162 R D -2.1258 Soluble
163 E D -2.8224 Soluble
164 A D -2.1162 Soluble
165 K D -2.3131 Soluble
166 V D -1.0019 Soluble
167 Q D -0.4939 Soluble
168 W D 0.0000 Buried
169 K D -0.4686 Soluble
170 V D 0.0000 Buried
171 D D -1.5094 Soluble
172 N D -1.2334 Soluble
173 A D -0.1923 Soluble
174 L D 0.7010 Aggregation-prone
175 Q D -0.2872 Soluble
176 S D -0.6798 Soluble
177 G D -1.1387 Soluble
178 N D -1.2761 Soluble
179 S D -1.2598 Soluble
180 Q D -1.4032 Soluble
181 E D -1.5194 Soluble
182 S D -0.5226 Soluble
183 V D -0.2750 Soluble
184 T D -0.7893 Soluble
185 E D -1.7846 Soluble
186 Q D 0.0000 Buried
187 D D -1.9132 Soluble
188 S D -2.1379 Soluble
189 K D -2.5553 Soluble
190 D D -1.8313 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6739 Soluble
199 L D 0.0000 Buried
200 T D -0.5519 Soluble
201 L D -0.7348 Soluble
202 S D -1.2428 Soluble
203 K D -2.1171 Soluble
204 A D -1.8720 Soluble
205 D D -2.4482 Soluble
206 Y D 0.0000 Buried
207 E D -3.2450 Soluble
208 K D -3.4153 Soluble
209 H D -2.8059 Soluble
210 K D -2.9010 Soluble
211 V D -1.5634 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.6753 Soluble
216 V D 0.0000 Buried
217 T D -1.1756 Soluble
218 H D 0.0000 Buried
219 Q D -1.6584 Soluble
220 G D -0.3994 Soluble
221 L D -0.2293 Soluble
222 S D -0.4669 Soluble
223 S D -0.4074 Soluble
224 P D -0.5366 Soluble
225 V D 0.0563 Aggregation-prone
226 T D -0.4029 Soluble
227 K D -0.8796 Soluble
228 S D -0.8010 Soluble
229 F D 0.0000 Buried
230 N D -2.2673 Soluble
231 R D -2.5493 Soluble
232 G D -2.1248 Soluble
233 E D -2.6085 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
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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 -0.7477 3.7722 CSV PDB
4.5 -0.7954 3.7286 CSV PDB
5.0 -0.8507 3.6774 CSV PDB
5.5 -0.9035 3.6298 CSV PDB
6.0 -0.9426 3.5984 CSV PDB
6.5 -0.9586 3.5916 CSV PDB
7.0 -0.951 3.5975 CSV PDB
7.5 -0.9277 3.5895 CSV PDB
8.0 -0.8954 3.5577 CSV PDB
8.5 -0.8561 3.5131 CSV PDB
9.0 -0.8097 3.4707 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH