Alemtuzumab / 1bey

A4DAB009_1bey_H_L | Source PDB: 1bey | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7858
Max Score
1.3415
Min Score
-3.4316
Total Score
-333.18
Score CDR
-0.8999
Score non-CDR
-0.7712

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVRPSQTLSLTCTVSGFTFTDFYMNWVRQPPGRGLEWIGFIRDKAKGYTTEYNPSVKGRVTMLVDTSKNQFSLRLSSVTAADTAVYYCAREGHTAAPFDYWGQGSLVTVSSASTKGPSVFPLAPAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVDIQMTQSPSSLSASVGDRVTITCKASQNIDKYLNWYQQKPGKAPKLLIYNTNNLQTGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCLQHISRPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) H (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 -3.4316
Maximum Score 1.3415
Average Score -0.7858
Total Score -333.183

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

Index Residue Chain A4D Score Classification
1 Q H -1.3198 Soluble
2 V H -0.8050 Soluble
3 Q H -1.5229 Soluble
4 L H 0.0000 Buried
5 Q H -1.7179 Soluble
6 E H 0.0000 Buried
7 S H -0.8579 Soluble
8 G H -0.5668 Soluble
9 P H -0.4928 Soluble
11 G H -0.4162 Soluble
12 L H -0.2135 Soluble
13 V H 0.0000 Buried
14 R H -1.7935 Soluble
15 P H -1.2917 Soluble
16 S H -1.2990 Soluble
17 Q H -1.8291 Soluble
18 T H -1.4869 Soluble
19 L H 0.0000 Buried
20 S H -1.0723 Soluble
21 L H 0.0000 Buried
22 T H -0.5486 Soluble
23 C H 0.0000 Buried
24 T H -1.1401 Soluble
25 V H 0.0000 Buried
26 S H -1.1205 Soluble
27 G H -0.8372 Soluble
28 F H -0.5396 Soluble
29 T H -0.7948 Soluble
30 F H 0.0000 Buried
35 T H -1.6775 Soluble
36 D H -2.1749 Soluble
37 F H -1.0434 Soluble
38 Y H -0.6478 Soluble
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -1.0700 Soluble
45 P H -0.9875 Soluble
46 P H -1.0076 Soluble
47 G H -1.5589 Soluble
48 R H -2.5979 Soluble
49 G H -1.8359 Soluble
50 L H 0.0000 Buried
51 E H -1.7975 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 F H 0.0000 Buried
56 I H 0.0000 Buried
57 R H -1.2730 Soluble
58 D H -1.9566 Soluble
59 K H -2.6026 Soluble
60 A H -1.9420 Soluble
61 K H -2.2410 Soluble
62 G H -1.5876 Soluble
63 Y H -0.5493 Soluble
64 T H -0.7153 Soluble
65 T H -0.5369 Soluble
66 E H -1.7386 Soluble
67 Y H -1.4104 Soluble
68 N H 0.0000 Buried
69 P H -1.6041 Soluble
70 S H -1.2885 Soluble
71 V H 0.0000 Buried
72 K H -2.3277 Soluble
74 G H -1.5683 Soluble
75 R H -1.6029 Soluble
76 V H 0.0000 Buried
77 T H -0.8771 Soluble
78 M H 0.0000 Buried
79 L H 1.1545 Aggregation-prone
80 V H 0.0382 Aggregation-prone
81 D H -1.3654 Soluble
82 T H -1.3262 Soluble
83 S H -1.5453 Soluble
84 K H -2.4468 Soluble
85 N H -1.8752 Soluble
86 Q H -1.3321 Soluble
87 F H 0.0000 Buried
88 S H -0.3539 Soluble
89 L H 0.0000 Buried
90 R H -1.8346 Soluble
91 L H 0.0000 Buried
92 S H -1.2098 Soluble
93 S H -1.1173 Soluble
94 V H 0.0000 Buried
95 T H -0.5271 Soluble
96 A H -0.1569 Soluble
97 A H 0.0617 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0763 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.0434 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 E H 0.0000 Buried
108 G H 0.0000 Buried
109 H H -1.2248 Soluble
110 T H -0.5958 Soluble
112 A H -0.3923 Soluble
113 A H -0.2312 Soluble
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.4408 Soluble
117 Y H -0.1637 Soluble
118 W H -0.6297 Soluble
119 G H -1.3188 Soluble
120 Q H -2.0437 Soluble
121 G H -1.3386 Soluble
122 S H -0.6846 Soluble
123 L H 0.1228 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1274 Soluble
126 V H 0.0000 Buried
127 S H -0.5167 Soluble
128 S H -0.7191 Soluble
129 A H -0.4887 Soluble
130 S H -0.5746 Soluble
131 T H -0.8016 Soluble
132 K H -1.4591 Soluble
133 G H -1.6002 Soluble
134 P H 0.0000 Buried
135 S H -0.5875 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9227 Soluble
139 L H 0.0000 Buried
140 A H -0.3607 Soluble
141 P H -0.0863 Soluble
142 A H -0.0274 Soluble
143 A H 0.0000 Buried
144 L H 0.0000 Buried
145 G H 0.0000 Buried
146 C H 0.0000 Buried
147 L H 0.0000 Buried
148 V H 0.0000 Buried
149 K H 0.0000 Buried
150 D H -0.4405 Soluble
151 Y H 0.0000 Buried
152 F H -0.2592 Soluble
153 P H 0.0000 Buried
154 E H -0.6265 Soluble
155 P H -0.7740 Soluble
156 V H 0.0000 Buried
157 T H -0.9345 Soluble
158 V H 0.0000 Buried
159 S H -0.6848 Soluble
160 W H 0.0000 Buried
161 N H -0.5367 Soluble
162 S H -0.6031 Soluble
163 G H -0.5623 Soluble
164 A H -0.1565 Soluble
165 L H 0.1691 Aggregation-prone
166 T H -0.0606 Soluble
167 S H -0.3225 Soluble
168 G H -0.0422 Soluble
169 V H 0.2981 Aggregation-prone
170 H H -0.2962 Soluble
171 T H -0.0140 Soluble
172 F H 0.0000 Buried
173 P H -0.3632 Soluble
174 A H 0.1919 Aggregation-prone
175 V H 0.4685 Aggregation-prone
176 L H 1.3415 Aggregation-prone
177 Q H 0.2553 Aggregation-prone
178 S H -0.0717 Soluble
179 S H -0.2293 Soluble
180 G H 0.0634 Aggregation-prone
181 L H 0.2812 Aggregation-prone
182 Y H 0.5418 Aggregation-prone
183 S H 0.3214 Aggregation-prone
184 L H 0.0000 Buried
185 S H 0.0000 Buried
186 S H 0.0000 Buried
187 V H 0.0000 Buried
188 V H 0.0000 Buried
189 T H -0.0334 Soluble
190 V H 0.0000 Buried
191 P H -0.3541 Soluble
192 S H -0.3405 Soluble
193 S H -0.3339 Soluble
194 S H -0.3507 Soluble
195 L H -0.1401 Soluble
196 G H -0.7038 Soluble
197 T H -0.7543 Soluble
198 Q H -1.1405 Soluble
199 T H -0.6247 Soluble
200 Y H -0.3353 Soluble
201 I H -0.6087 Soluble
202 C H 0.0000 Buried
203 N H -1.8873 Soluble
204 V H 0.0000 Buried
205 N H -2.7317 Soluble
206 H H 0.0000 Buried
207 K H -2.9686 Soluble
208 P H -1.6960 Soluble
209 S H -2.0314 Soluble
210 N H -2.6700 Soluble
211 T H -2.3488 Soluble
212 K H -3.0345 Soluble
213 V H -2.0262 Soluble
214 D H -2.7617 Soluble
215 K H -2.0729 Soluble
216 K H -1.8572 Soluble
217 V H -0.5553 Soluble
1 D L -2.8120 Soluble
2 I L 0.0000 Buried
3 Q L -2.3071 Soluble
4 M L 0.0000 Buried
5 T L -1.2401 Soluble
6 Q L 0.0000 Buried
7 S L -0.8770 Soluble
8 P L -0.6839 Soluble
9 S L -0.9827 Soluble
10 S L -1.2038 Soluble
11 L L -0.7688 Soluble
12 S L -1.0809 Soluble
13 A L -1.1775 Soluble
14 S L -1.2800 Soluble
15 V L -0.5650 Soluble
16 G L -1.1967 Soluble
17 D L -2.2240 Soluble
18 R L -2.6439 Soluble
19 V L 0.0000 Buried
20 T L -0.7184 Soluble
21 I L 0.0000 Buried
22 T L -0.9010 Soluble
23 C L 0.0000 Buried
24 K L -3.0238 Soluble
25 A L 0.0000 Buried
26 S L -2.2446 Soluble
27 Q L -2.7615 Soluble
28 N L -2.8350 Soluble
29 I L 0.0000 Buried
36 D L -2.7416 Soluble
37 K L -2.3660 Soluble
38 Y L -0.8888 Soluble
39 L 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 -2.0306 Soluble
46 P L -1.7949 Soluble
47 G L -1.8449 Soluble
48 K L -2.5762 Soluble
49 A L -1.6170 Soluble
50 P L 0.0000 Buried
51 K L -1.3466 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3632 Soluble
56 N L 0.0000 Buried
57 T L 0.0000 Buried
65 N L -1.7942 Soluble
66 N L -1.0848 Soluble
67 L L -0.2554 Soluble
68 Q L -0.3983 Soluble
69 T L -0.3542 Soluble
70 G L -0.5434 Soluble
71 V L 0.0000 Buried
72 P L -0.4419 Soluble
74 S L -0.5219 Soluble
75 R L -0.9591 Soluble
76 F L 0.0000 Buried
77 S L -0.6678 Soluble
78 G L -0.9048 Soluble
79 S L -1.3261 Soluble
80 G L -1.7070 Soluble
83 S L -2.3735 Soluble
84 G L -2.4233 Soluble
85 T L -2.8225 Soluble
86 D L -2.8693 Soluble
87 F L 0.0000 Buried
88 T L -1.0547 Soluble
89 F L 0.0000 Buried
90 T L -0.6553 Soluble
91 I L 0.0000 Buried
92 S L -1.4745 Soluble
93 S L -1.5289 Soluble
94 L L 0.0000 Buried
95 Q L -1.5985 Soluble
96 P L -2.3598 Soluble
97 E L -2.7578 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.1435 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 L L 0.0000 Buried
106 Q L 0.0000 Buried
107 H L -0.4323 Soluble
108 I L -0.3498 Soluble
109 S L -1.0824 Soluble
114 R L -2.3558 Soluble
115 P L 0.0000 Buried
116 R L 0.0000 Buried
117 T L -1.4180 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7891 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.2864 Soluble
124 V L 0.0000 Buried
125 E L -2.1545 Soluble
126 I L 0.0000 Buried
127 K L -1.4068 Soluble
128 R L -1.0107 Soluble
129 T L 0.0922 Aggregation-prone
130 V L 0.7794 Aggregation-prone
131 A L 0.2049 Aggregation-prone
132 A L 0.1199 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2172 Soluble
135 V L 0.0000 Buried
136 F L 0.0176 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5343 Soluble
140 P L -0.6892 Soluble
141 S L 0.0000 Buried
142 D L -2.5025 Soluble
143 E L -2.3192 Soluble
144 Q L 0.0000 Buried
145 L L -1.9086 Soluble
146 K L -2.5842 Soluble
147 S L -1.4896 Soluble
148 G L -1.2985 Soluble
149 T L -1.0012 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -1.1597 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7674 Soluble
162 R L -3.1439 Soluble
163 E L -3.4316 Soluble
164 A L -2.4943 Soluble
165 K L -2.7817 Soluble
166 V L -1.3261 Soluble
167 Q L -1.0375 Soluble
168 W L 0.0000 Buried
169 K L -0.9708 Soluble
170 V L 0.0000 Buried
171 D L -1.7477 Soluble
172 N L -1.6665 Soluble
173 A L -0.5709 Soluble
174 L L -0.0967 Soluble
175 Q L -0.9493 Soluble
176 S L -1.0147 Soluble
177 G L -0.9999 Soluble
178 N L -0.9026 Soluble
179 S L -1.4011 Soluble
180 Q L -1.7335 Soluble
181 E L -2.2895 Soluble
182 S L -0.9199 Soluble
183 V L -0.8572 Soluble
184 T L -1.1977 Soluble
185 E L -2.4509 Soluble
186 Q L 0.0000 Buried
187 D L -2.6334 Soluble
188 S L -2.9090 Soluble
189 K L -3.2505 Soluble
190 D L -3.0438 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6512 Soluble
199 L L 0.0000 Buried
200 T L -0.3241 Soluble
201 L L -0.3980 Soluble
202 S L -0.7204 Soluble
203 K L -1.4144 Soluble
204 A L -1.1063 Soluble
205 D L -1.7372 Soluble
206 Y L 0.0000 Buried
207 E L -2.2394 Soluble
208 K L -2.7111 Soluble
209 H L -2.5933 Soluble
210 K L -3.2575 Soluble
211 V L -1.9207 Soluble
212 Y L 0.0000 Buried
213 A L -1.2959 Soluble
214 C L 0.0000 Buried
215 E L -1.0725 Soluble
216 V L 0.0000 Buried
217 T L -1.0856 Soluble
218 H L 0.0000 Buried
219 Q L -1.9224 Soluble
220 G L -0.5313 Soluble
221 L L 0.0163 Aggregation-prone
222 S L -0.4250 Soluble
223 S L -0.2017 Soluble
224 P L -0.3639 Soluble
225 V L 0.0839 Aggregation-prone
226 T L -0.6718 Soluble
227 K L -1.4290 Soluble
228 S L -1.0010 Soluble
229 F L -1.1928 Soluble
230 N L -2.4230 Soluble
231 R L -2.0926 Soluble
232 G L -1.9500 Soluble
233 E L -2.2429 Soluble
234 C L -0.6023 Soluble

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 -0.8412 2.6871 CSV PDB
4.5 -0.8829 2.6871 CSV PDB
5.0 -0.93 2.6871 CSV PDB
5.5 -0.9726 2.6871 CSV PDB
6.0 -0.9989 2.6871 CSV PDB
6.5 -0.9992 2.6871 CSV PDB
7.0 -0.9744 2.6871 CSV PDB
7.5 -0.9341 2.6871 CSV PDB
8.0 -0.8857 2.6871 CSV PDB
8.5 -0.8306 2.6871 CSV PDB
9.0 -0.7683 2.6871 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH