Efalizumab / 3eoa

A4DAB098_3eoa_H_L | Source PDB: 3eoa | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7434
Max Score
2.5813
Min Score
-3.6297
Total Score
-318.92
Score CDR
-0.5065
Score non-CDR
-0.7733

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGHWMNWVRQAPGKGLEWVGMIHPSDSETRYNQKFKDRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARGIYFYGTTYFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEDIQMTQSPSSLSASVGDRVTITCRASKTISKYLAWYQQKPGKAPKLLIYSGSTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHNEYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6297
Maximum Score 2.5813
Average Score -0.7434
Total Score -318.9231

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

Index Residue Chain A4D Score Classification
1 E H -2.0215 Soluble
2 V H -0.9863 Soluble
3 Q H -0.7764 Soluble
4 L H 0.0000 Buried
5 V H 1.0680 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4198 Soluble
8 G H -0.8922 Soluble
9 G H -0.7203 Soluble
11 G H -0.4166 Soluble
12 L H -0.1205 Soluble
13 V H 0.0000 Buried
14 Q H -1.3959 Soluble
15 P H -1.4201 Soluble
16 G H -1.2994 Soluble
17 G H -1.0284 Soluble
18 S H -1.0629 Soluble
19 L H -1.1172 Soluble
20 R H -2.0899 Soluble
21 L H 0.0000 Buried
22 S H -0.3771 Soluble
23 C H 0.0000 Buried
24 A H -0.1211 Soluble
25 A H 0.0000 Buried
26 S H -0.7815 Soluble
27 G H -1.2057 Soluble
28 Y H -0.6863 Soluble
29 S H -0.4929 Soluble
30 F H 0.0000 Buried
35 T H -1.1037 Soluble
36 G H -0.6289 Soluble
37 H H -0.3409 Soluble
38 W H -0.2638 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 -0.4968 Soluble
44 Q H -0.7850 Soluble
45 A H -1.1880 Soluble
46 P H -1.1659 Soluble
47 G H -1.4610 Soluble
48 K H -2.3389 Soluble
49 G H -1.5712 Soluble
50 L H 0.0000 Buried
51 E H -0.9748 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 M H 0.0000 Buried
56 I H 0.0000 Buried
57 H H -1.4648 Soluble
58 P H 0.0000 Buried
59 S H -1.7732 Soluble
62 D H -2.6438 Soluble
63 S H -2.2455 Soluble
64 E H -2.7084 Soluble
65 T H -1.7245 Soluble
66 R H -1.8182 Soluble
67 Y H -1.6505 Soluble
68 N H 0.0000 Buried
69 Q H -3.0564 Soluble
70 K H -3.1003 Soluble
71 F H 0.0000 Buried
72 K H -3.6297 Soluble
74 D H -3.3093 Soluble
75 R H -2.0652 Soluble
76 F H 0.0000 Buried
77 T H -1.1657 Soluble
78 I H 0.0000 Buried
79 S H -0.5170 Soluble
80 V H -1.2022 Soluble
81 D H -1.7925 Soluble
82 K H -2.7840 Soluble
83 S H -2.0649 Soluble
84 K H -2.7031 Soluble
85 N H -2.2618 Soluble
86 T H -1.2094 Soluble
87 L H 0.0000 Buried
88 Y H -0.4999 Soluble
89 L H 0.0000 Buried
90 Q H -1.2383 Soluble
91 M H 0.0000 Buried
92 N H -1.3850 Soluble
93 S H -1.2100 Soluble
94 L H 0.0000 Buried
95 R H -1.9948 Soluble
96 A H -1.5650 Soluble
97 E H -2.1261 Soluble
98 D H 0.0000 Buried
99 T H -0.7351 Soluble
100 A H 0.0000 Buried
101 V H 0.0896 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 0.0717 Aggregation-prone
107 G H 0.0000 Buried
108 I H 0.0000 Buried
109 Y H 1.8034 Aggregation-prone
110 F H 2.5813 Aggregation-prone
111 Y H 1.5942 Aggregation-prone
112A G H 0.2035 Aggregation-prone
112 T H 0.0000 Buried
113 T H 0.0000 Buried
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.0861 Soluble
117 Y H 0.2918 Aggregation-prone
118 W H -0.0957 Soluble
119 G H 0.0000 Buried
120 Q H -1.1659 Soluble
121 G H -0.6114 Soluble
122 T H -0.0796 Soluble
123 L H 0.0697 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4656 Soluble
126 V H 0.0000 Buried
127 S H -0.8841 Soluble
128 S H -0.7729 Soluble
129 A H -0.4769 Soluble
130 S H -0.6376 Soluble
131 T H -0.9054 Soluble
132 K H -1.5616 Soluble
133 G H -1.4935 Soluble
134 P H -0.6980 Soluble
135 S H -0.4718 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1538 Soluble
139 L H 0.0000 Buried
140 A H -0.7021 Soluble
141 P H -0.3593 Soluble
142 S H -0.1779 Soluble
143 S H -0.4428 Soluble
144 G H -0.6322 Soluble
145 T H -0.5120 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.6887 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.6054 Soluble
159 P H -0.6431 Soluble
160 V H -0.6455 Soluble
161 T H -0.5620 Soluble
162 V H -0.2085 Soluble
163 S H -0.4271 Soluble
164 W H 0.0000 Buried
165 N H -0.8452 Soluble
166 S H -0.7303 Soluble
167 G H -0.6246 Soluble
168 A H -0.2832 Soluble
169 L H -0.0254 Soluble
170 T H -0.1486 Soluble
171 S H -0.1572 Soluble
172 G H -0.1657 Soluble
173 V H 0.1712 Aggregation-prone
174 H H -0.3378 Soluble
175 T H -0.0079 Soluble
176 F H 0.0000 Buried
177 P H -0.3492 Soluble
178 A H 0.2299 Aggregation-prone
179 V H 0.6073 Aggregation-prone
180 L H 1.0941 Aggregation-prone
181 Q H 0.0290 Aggregation-prone
182 S H -0.3241 Soluble
183 S H -0.3101 Soluble
184 G H -0.1342 Soluble
185 L H -0.0877 Soluble
186 Y H 0.2431 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1294 Soluble
194 V H 0.0000 Buried
195 P H -0.5621 Soluble
196 S H -0.5197 Soluble
197 S H -0.5635 Soluble
198 S H -0.5587 Soluble
199 L H -0.6281 Soluble
200 G H -0.9548 Soluble
201 T H -0.7592 Soluble
202 Q H -1.4150 Soluble
203 T H -1.0899 Soluble
204 Y H 0.0000 Buried
205 I H -1.0561 Soluble
206 C H 0.0000 Buried
207 N H -1.4608 Soluble
208 V H 0.0000 Buried
209 N H -1.8357 Soluble
210 H H 0.0000 Buried
211 K H -2.6994 Soluble
212 P H -1.6008 Soluble
213 S H -1.8890 Soluble
214 N H -2.5314 Soluble
215 T H -2.0536 Soluble
216 K H -2.7162 Soluble
217 V H -1.7612 Soluble
218 D H -2.5494 Soluble
219 K H -2.1734 Soluble
220 K H -2.2975 Soluble
221 V H 0.0000 Buried
222 E H -2.3137 Soluble
1 D L -2.4007 Soluble
2 I L 0.0000 Buried
3 Q L -2.2830 Soluble
4 M L 0.0000 Buried
5 T L -1.1961 Soluble
6 Q L 0.0000 Buried
7 S L -0.5654 Soluble
8 P L -0.5825 Soluble
9 S L -0.8088 Soluble
10 S L -0.8527 Soluble
11 L L -0.5825 Soluble
12 S L -0.7831 Soluble
13 A L -1.0688 Soluble
14 S L -1.0500 Soluble
15 V L -0.2844 Soluble
16 G L -0.8729 Soluble
17 D L -1.6988 Soluble
18 R L -2.3090 Soluble
19 V L 0.0000 Buried
20 T L -0.6643 Soluble
21 I L 0.0000 Buried
22 T L -0.6602 Soluble
23 C L 0.0000 Buried
24 R L -2.1700 Soluble
25 A L -1.8942 Soluble
26 S L -2.1788 Soluble
27 K L -2.5646 Soluble
28 T L -1.5608 Soluble
29 I L 0.0000 Buried
36 S L -1.3374 Soluble
37 K L -1.7193 Soluble
38 Y L -0.7143 Soluble
39 L L 0.0000 Buried
40 A 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 -1.2083 Soluble
45 K L -1.6533 Soluble
46 P L -1.5044 Soluble
47 G L -1.7845 Soluble
48 K L -2.4925 Soluble
49 A L -1.4315 Soluble
50 P L 0.0000 Buried
51 K L -1.0406 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0587 Aggregation-prone
56 S L -0.3320 Soluble
57 G L 0.0000 Buried
65 S L -0.4390 Soluble
66 T L 0.0657 Aggregation-prone
67 L L 0.1686 Aggregation-prone
68 Q L -0.3203 Soluble
69 S L -0.4211 Soluble
70 G L -0.5257 Soluble
71 V L -0.3486 Soluble
72 P L -0.4082 Soluble
74 S L -0.4887 Soluble
75 R L -0.8409 Soluble
76 F L 0.0000 Buried
77 S L -0.2739 Soluble
78 G L 0.0000 Buried
79 S L -0.7840 Soluble
80 G L -1.2286 Soluble
83 S L -1.2846 Soluble
84 G L -1.4608 Soluble
85 T L -1.8435 Soluble
86 D L -2.1153 Soluble
87 F L 0.0000 Buried
88 T L -0.6444 Soluble
89 L L 0.0000 Buried
90 T L -0.6221 Soluble
91 I L 0.0000 Buried
92 S L -1.3144 Soluble
93 S L -1.1742 Soluble
94 L L 0.0000 Buried
95 Q L -0.9060 Soluble
96 P L -1.8280 Soluble
97 E L -1.9089 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.9444 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 H L 0.0000 Buried
108 N L -0.9643 Soluble
109 E L -1.2150 Soluble
114 Y L -0.6785 Soluble
115 P L -1.0737 Soluble
116 L L 0.0000 Buried
117 T L -0.8922 Soluble
118 F L 0.0000 Buried
119 G L -0.9852 Soluble
120 Q L -1.6787 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.6602 Soluble
124 V L 0.0000 Buried
125 E L -1.4304 Soluble
126 I L 0.0000 Buried
127 K L -1.4421 Soluble
128 R L -1.0779 Soluble
129 T L -0.0227 Soluble
130 V L 0.6144 Aggregation-prone
131 A L 0.1394 Aggregation-prone
132 A L 0.0152 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.0185 Soluble
135 V L 0.1072 Aggregation-prone
136 F L 0.2378 Aggregation-prone
137 I L 0.2039 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5124 Soluble
140 P L -0.7137 Soluble
141 S L -1.6488 Soluble
142 D L -2.9627 Soluble
143 E L -3.0122 Soluble
144 Q L 0.0000 Buried
145 L L -2.3307 Soluble
146 K L -2.8188 Soluble
147 S L -1.7440 Soluble
148 G L -1.2858 Soluble
149 T L -0.9766 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 -1.0387 Soluble
159 F L 0.0000 Buried
160 Y L -0.8603 Soluble
161 P L -1.5327 Soluble
162 R L -2.5543 Soluble
163 E L -3.0396 Soluble
164 A L -2.2358 Soluble
165 K L -2.2526 Soluble
166 V L -1.0131 Soluble
167 Q L -0.6226 Soluble
168 W L 0.0000 Buried
169 K L -0.5043 Soluble
170 V L 0.0000 Buried
171 D L -1.6902 Soluble
172 N L -1.3061 Soluble
173 A L -0.2360 Soluble
174 L L 0.7005 Aggregation-prone
175 Q L -0.3545 Soluble
176 S L -0.6955 Soluble
177 G L -1.1767 Soluble
178 N L -1.7571 Soluble
179 S L -1.3666 Soluble
180 Q L -1.1604 Soluble
181 E L -1.2594 Soluble
182 S L -0.7390 Soluble
183 V L -0.9805 Soluble
184 T L -1.2008 Soluble
185 E L -2.3334 Soluble
186 Q L 0.0000 Buried
187 D L -2.4972 Soluble
188 S L -2.4974 Soluble
189 K L -3.1598 Soluble
190 D L -3.0558 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 -0.5739 Soluble
199 L L 0.0000 Buried
200 T L -0.5716 Soluble
201 L L -0.7798 Soluble
202 S L -1.2386 Soluble
203 K L -2.1096 Soluble
204 A L -1.9225 Soluble
205 D L -2.5245 Soluble
206 Y L 0.0000 Buried
207 E L -3.6252 Soluble
208 K L -3.6054 Soluble
209 H L -3.0312 Soluble
210 K L -3.1293 Soluble
211 V L -1.3405 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9481 Soluble
216 V L 0.0000 Buried
217 T L -1.2627 Soluble
218 H L 0.0000 Buried
219 Q L -1.6770 Soluble
220 G L -0.3260 Soluble
221 L L -0.2505 Soluble
222 S L -0.4687 Soluble
223 S L -0.4539 Soluble
224 P L -0.6262 Soluble
225 V L -0.0232 Soluble
226 T L -0.4793 Soluble
227 K L -0.7640 Soluble
228 S L -0.6294 Soluble
229 F L 0.0000 Buried
230 N L -1.9818 Soluble
231 R L -2.5923 Soluble
232 G L -2.1373 Soluble
233 E L -2.3786 Soluble
234 C L -1.0786 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 -0.8329 4.9495 CSV PDB
4.5 -0.8786 4.9495 CSV PDB
5.0 -0.9321 4.9495 CSV PDB
5.5 -0.9831 4.9495 CSV PDB
6.0 -1.0194 4.9495 CSV PDB
6.5 -1.03 4.9495 CSV PDB
7.0 -1.0133 4.9495 CSV PDB
7.5 -0.9779 4.9494 CSV PDB
8.0 -0.9319 4.9492 CSV PDB
8.5 -0.8781 4.9486 CSV PDB
9.0 -0.8167 4.9465 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH