Alemtuzumab / 1ce1

A4DAB009_1ce1_H_L | Source PDB: 1ce1 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7572
Max Score
1.3117
Min Score
-3.749
Total Score
-326.37
Score CDR
-0.9384
Score non-CDR
-0.7345

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVRPSQTLSLTCTVSGFTFTDFYMNWVRQPPGRGLEWIGFIRDKAKGYTTEYNPSVKGRVTMLVDTSKNQFSLRLSSVTAADTAVYYCAREGHTAAPFDYWGQGSLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEDIQMTQSPSSLSASVGDRVTITCKASQNIDKYLNWYQQKPGKAPKLLIYNTNNLQTGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCLQHISRPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.749
Maximum Score 1.3117
Average Score -0.7572
Total Score -326.3676

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

Index Residue Chain A4D Score Classification
1 Q H -1.4051 Soluble
2 V H -0.6983 Soluble
3 Q H -1.1708 Soluble
4 L H 0.0000 Buried
5 Q H -1.1254 Soluble
6 E H 0.0000 Buried
7 S H -0.5024 Soluble
8 G H -0.8626 Soluble
9 P H -0.4512 Soluble
11 G H -0.4514 Soluble
12 L H 0.0287 Aggregation-prone
13 V H -0.5678 Soluble
14 R H -1.5028 Soluble
15 P H -1.1644 Soluble
16 S H -1.2566 Soluble
17 Q H -1.7728 Soluble
18 T H -1.3002 Soluble
19 L H 0.0000 Buried
20 S H -0.7000 Soluble
21 L H 0.0000 Buried
22 T H -0.4959 Soluble
23 C H 0.0000 Buried
24 T H -1.0882 Soluble
25 V H 0.0000 Buried
26 S H -0.9406 Soluble
27 G H -0.9258 Soluble
28 F H -0.5129 Soluble
29 T H -0.6072 Soluble
30 F H 0.0000 Buried
35 T H -1.6506 Soluble
36 D H -2.4415 Soluble
37 F H -1.1547 Soluble
38 Y H -0.8401 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 -0.7849 Soluble
45 P H -0.9296 Soluble
46 P H -1.0245 Soluble
47 G H -1.5712 Soluble
48 R H -2.4453 Soluble
49 G H -1.5730 Soluble
50 L H 0.0000 Buried
51 E H -0.8144 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 -1.3159 Soluble
58 D H -2.1475 Soluble
59 K H -2.8364 Soluble
60 A H -2.1112 Soluble
61 K H -2.7086 Soluble
62 G H -1.9327 Soluble
63 Y H -1.0678 Soluble
64 T H -0.8578 Soluble
65 T H -0.3646 Soluble
66 E H -0.5766 Soluble
67 Y H -0.7103 Soluble
68 N H 0.0000 Buried
69 P H -1.5214 Soluble
70 S H -0.9672 Soluble
71 V H 0.0000 Buried
72 K H -2.1484 Soluble
74 G H -1.5509 Soluble
75 R H -1.4532 Soluble
76 V H 0.0000 Buried
77 T H -0.6269 Soluble
78 M H 0.0000 Buried
79 L H 0.2911 Aggregation-prone
80 V H -0.6073 Soluble
81 D H -1.8339 Soluble
82 T H -1.6125 Soluble
83 S H -1.6207 Soluble
84 K H -2.5262 Soluble
85 N H -1.8775 Soluble
86 Q H -1.5182 Soluble
87 F H 0.0000 Buried
88 S H -0.2815 Soluble
89 L H 0.0000 Buried
90 R H -1.1834 Soluble
91 L H 0.0000 Buried
92 S H -1.1322 Soluble
93 S H -1.0726 Soluble
94 V H 0.0000 Buried
95 T H -0.4554 Soluble
96 A H -0.0664 Soluble
97 A H 0.0900 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.1643 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.1320 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 -0.4316 Soluble
108 G H 0.0000 Buried
109 H H -1.2510 Soluble
110 T H -0.6137 Soluble
112 A H 0.0000 Buried
113 A H -0.3137 Soluble
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3530 Soluble
117 Y H 0.1153 Aggregation-prone
118 W H -0.5418 Soluble
119 G H 0.0000 Buried
120 Q H -1.7298 Soluble
121 G H 0.0000 Buried
122 S H 0.0000 Buried
123 L H -0.0235 Soluble
124 V H 0.0000 Buried
125 T H -0.0197 Soluble
126 V H -0.2331 Soluble
127 S H -0.3810 Soluble
128 S H -0.5795 Soluble
129 A H -0.3692 Soluble
130 S H -0.5348 Soluble
131 T H -0.8746 Soluble
132 K H -1.2962 Soluble
133 G H -1.3377 Soluble
134 P H -0.6923 Soluble
135 S H -0.4364 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9341 Soluble
139 L H 0.0000 Buried
140 A H -0.7735 Soluble
141 P H -0.5432 Soluble
142 S H -0.7166 Soluble
143 S H -0.7081 Soluble
144 K H -1.1838 Soluble
145 S H 0.0000 Buried
146 T H -0.7181 Soluble
147 S H -0.6663 Soluble
148 G H -0.7911 Soluble
149 G H -0.8679 Soluble
150 T H -0.5558 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.3402 Soluble
159 D H -0.4929 Soluble
160 Y H 0.0000 Buried
161 F H -0.2229 Soluble
162 P H 0.0000 Buried
163 E H -0.8253 Soluble
164 P H -0.6751 Soluble
165 V H -0.6497 Soluble
166 T H -0.6339 Soluble
167 V H -0.3953 Soluble
168 S H -0.4068 Soluble
169 W H 0.0000 Buried
170 N H -0.7572 Soluble
171 S H -0.6911 Soluble
172 G H -0.6051 Soluble
173 A H -0.2831 Soluble
174 L H -0.0649 Soluble
175 T H -0.2443 Soluble
176 S H -0.2827 Soluble
177 G H -0.4038 Soluble
178 V H 0.0472 Aggregation-prone
179 H H -0.3048 Soluble
180 T H 0.0239 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2950 Soluble
183 A H 0.1545 Aggregation-prone
184 V H 0.3629 Aggregation-prone
185 L H 1.3117 Aggregation-prone
186 Q H 0.1926 Aggregation-prone
187 S H -0.0697 Soluble
188 S H -0.2085 Soluble
189 G H 0.1197 Aggregation-prone
190 L H 0.1311 Aggregation-prone
191 Y H 0.4252 Aggregation-prone
192 S H 0.1054 Aggregation-prone
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1997 Soluble
199 V H 0.0000 Buried
200 P H -0.5591 Soluble
201 S H -0.4699 Soluble
202 S H -0.4919 Soluble
203 S H -0.4455 Soluble
204 L H -0.4184 Soluble
205 G H -0.8057 Soluble
206 T H -0.6788 Soluble
207 Q H -1.2991 Soluble
208 T H -1.0187 Soluble
209 Y H 0.0000 Buried
210 I H -0.8486 Soluble
211 C H 0.0000 Buried
212 N H -1.3976 Soluble
213 V H 0.0000 Buried
214 N H -2.0312 Soluble
215 H H 0.0000 Buried
216 K H -2.4342 Soluble
217 P H -1.3610 Soluble
218 S H -1.6465 Soluble
219 N H -2.4664 Soluble
220 T H -2.0233 Soluble
221 K H -2.6776 Soluble
222 V H -1.5966 Soluble
223 D H -2.3930 Soluble
224 K H -1.7027 Soluble
225 K H -1.9896 Soluble
226 V H 0.0000 Buried
227 E H -2.1783 Soluble
1 D L -2.5218 Soluble
2 I L -1.8985 Soluble
3 Q L -2.1130 Soluble
4 M L 0.0000 Buried
5 T L -1.2118 Soluble
6 Q L 0.0000 Buried
7 S L -0.7539 Soluble
8 P L -0.6278 Soluble
9 S L -0.8829 Soluble
10 S L -0.9017 Soluble
11 L L -0.5930 Soluble
12 S L -0.8596 Soluble
13 A L -1.2008 Soluble
14 S L -1.2464 Soluble
15 V L -0.6017 Soluble
16 G L -1.0966 Soluble
17 D L -2.0633 Soluble
18 R L -2.5361 Soluble
19 V L 0.0000 Buried
20 T L -0.6310 Soluble
21 I L 0.0000 Buried
22 T L -0.8218 Soluble
23 C L 0.0000 Buried
24 K L -2.5066 Soluble
25 A L 0.0000 Buried
26 S L -2.0108 Soluble
27 Q L -2.6189 Soluble
28 N L -2.3669 Soluble
29 I L 0.0000 Buried
36 D L -2.3463 Soluble
37 K L -2.2284 Soluble
38 Y L -0.7299 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 -1.8970 Soluble
46 P L -1.5435 Soluble
47 G L -1.8027 Soluble
48 K L -2.5898 Soluble
49 A L -1.6230 Soluble
50 P L 0.0000 Buried
51 K L -1.7465 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.4526 Soluble
56 N L -0.9414 Soluble
57 T L 0.0000 Buried
65 N L -1.7256 Soluble
66 N L -1.0254 Soluble
67 L L -0.2622 Soluble
68 Q L -0.4810 Soluble
69 T L -0.2735 Soluble
70 G L -0.4139 Soluble
71 V L -0.1122 Soluble
72 P L -0.2805 Soluble
74 S L -0.3689 Soluble
75 R L -0.7490 Soluble
76 F L 0.0000 Buried
77 S L -0.6393 Soluble
78 G L 0.0000 Buried
79 S L -1.3381 Soluble
80 G L -1.8174 Soluble
83 S L -2.0044 Soluble
84 G L -2.2588 Soluble
85 T L -2.5338 Soluble
86 D L -3.0364 Soluble
87 F L 0.0000 Buried
88 T L -0.9499 Soluble
89 F L 0.0000 Buried
90 T L -0.5884 Soluble
91 I L 0.0000 Buried
92 S L -1.4359 Soluble
93 S L -1.3622 Soluble
94 L L 0.0000 Buried
95 Q L -1.4272 Soluble
96 P L -1.9333 Soluble
97 E L -2.5340 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0200 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 -0.4295 Soluble
108 I L -0.2328 Soluble
109 S L -0.8702 Soluble
114 R L -1.9864 Soluble
115 P L 0.0000 Buried
116 R L -1.1824 Soluble
117 T L -1.0624 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6269 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.8167 Soluble
124 V L 0.0000 Buried
125 E L -1.2123 Soluble
126 I L 0.0000 Buried
127 K L -1.9027 Soluble
128 R L -1.3405 Soluble
129 T L -0.3503 Soluble
130 V L 0.1744 Aggregation-prone
131 A L -0.1095 Soluble
132 A L -0.1364 Soluble
133 P L 0.0000 Buried
134 S L -0.1871 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.9169 Soluble
140 P L -0.8918 Soluble
141 S L -1.4756 Soluble
142 D L -2.7090 Soluble
143 E L -2.4547 Soluble
144 Q L 0.0000 Buried
145 L L -1.9656 Soluble
146 K L -2.7311 Soluble
147 S L -1.7052 Soluble
148 G L -1.2144 Soluble
149 T L -1.0570 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 -0.7928 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6072 Soluble
162 R L -2.3819 Soluble
163 E L -2.8647 Soluble
164 A L -2.1203 Soluble
165 K L -2.3408 Soluble
166 V L -1.0858 Soluble
167 Q L -0.5660 Soluble
168 W L 0.0000 Buried
169 K L -0.6677 Soluble
170 V L 0.0000 Buried
171 D L -2.0512 Soluble
172 N L -1.5559 Soluble
173 A L -0.3547 Soluble
174 L L 0.5519 Aggregation-prone
175 Q L -0.2702 Soluble
176 S L -0.4335 Soluble
177 G L -0.9627 Soluble
178 N L -0.8840 Soluble
179 S L -1.3505 Soluble
180 Q L -1.8719 Soluble
181 E L -2.1380 Soluble
182 S L -0.9521 Soluble
183 V L -0.5312 Soluble
184 T L -0.8323 Soluble
185 E L -1.9081 Soluble
186 Q L 0.0000 Buried
187 D L -1.9458 Soluble
188 S L -2.3162 Soluble
189 K L -2.6750 Soluble
190 D L -1.8722 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 -0.8778 Soluble
199 L L 0.0000 Buried
200 T L -0.5719 Soluble
201 L L -0.8142 Soluble
202 S L -1.2360 Soluble
203 K L -2.2452 Soluble
204 A L -2.0137 Soluble
205 D L -2.8797 Soluble
206 Y L 0.0000 Buried
207 E L -3.5894 Soluble
208 K L -3.7490 Soluble
209 H L -3.2748 Soluble
210 K L -3.7021 Soluble
211 V L -2.2093 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6955 Soluble
216 V L 0.0000 Buried
217 T L -1.1481 Soluble
218 H L 0.0000 Buried
219 Q L -1.7019 Soluble
220 G L -0.4813 Soluble
221 L L -0.2903 Soluble
222 S L -0.4624 Soluble
223 S L -0.4207 Soluble
224 P L -0.5097 Soluble
225 V L 0.0365 Aggregation-prone
226 T L -0.4511 Soluble
227 K L -0.9428 Soluble
228 S L -1.1129 Soluble
229 F L 0.0000 Buried
230 N L -2.7596 Soluble
231 R L -3.3750 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
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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 -0.8363 1.6251 CSV PDB
4.5 -0.879 1.6152 CSV PDB
5.0 -0.9269 1.6042 CSV PDB
5.5 -0.9701 1.5926 CSV PDB
6.0 -0.9975 1.581 CSV PDB
6.5 -1.0001 1.5693 CSV PDB
7.0 -0.9795 1.5576 CSV PDB
7.5 -0.9446 1.5462 CSV PDB
8.0 -0.9022 1.5352 CSV PDB
8.5 -0.8534 1.5258 CSV PDB
9.0 -0.7973 1.519 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH