Efalizumab / 3eob

A4DAB098_3eob_B_A | Source PDB: 3eob | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7179
Max Score
2.7277
Min Score
-3.6538
Total Score
-307.96
Score CDR
-0.4599
Score non-CDR
-0.7504

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGHWMNWVRQAPGKGLEWVGMIHPSDSETRYNQKFKDRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARGIYFYGTTYFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEDIQMTQSPSSLSASVGDRVTITCRASKTISKYLAWYQQKPGKAPKLLIYSGSTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHNEYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.6538
Maximum Score 2.7277
Average Score -0.7179
Total Score -307.9607

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

Index Residue Chain A4D Score Classification
1 E B -2.0705 Soluble
2 V B -1.1400 Soluble
3 Q B -1.0395 Soluble
4 L B 0.0000 Buried
5 V B 1.2198 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.3873 Soluble
8 G B -0.8998 Soluble
9 G B -0.6353 Soluble
11 G B 0.0000 Buried
12 L B -0.1576 Soluble
13 V B 0.0000 Buried
14 Q B -1.7387 Soluble
15 P B -1.9129 Soluble
16 G B -1.5219 Soluble
17 G B -1.2662 Soluble
18 S B -1.3854 Soluble
19 L B -1.1633 Soluble
20 R B -2.1117 Soluble
21 L B 0.0000 Buried
22 S B -0.2880 Soluble
23 C B 0.0000 Buried
24 A B -0.0719 Soluble
25 A B 0.0000 Buried
26 S B -0.7259 Soluble
27 G B -1.2572 Soluble
28 Y B -0.6835 Soluble
29 S B -0.4401 Soluble
30 F B 0.0000 Buried
35 T B -1.0578 Soluble
36 G B -0.6177 Soluble
37 H B -0.2663 Soluble
38 W B -0.2193 Soluble
39 M B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B -0.4606 Soluble
44 Q B -0.7896 Soluble
45 A B -1.2187 Soluble
46 P B -1.2037 Soluble
47 G B -1.4836 Soluble
48 K B -2.3861 Soluble
49 G B -1.6504 Soluble
50 L B 0.0000 Buried
51 E B -0.6526 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 G B 0.0000 Buried
55 M B 0.0000 Buried
56 I B 0.0000 Buried
57 H B -1.4220 Soluble
58 P B 0.0000 Buried
59 S B -1.7280 Soluble
62 D B -2.6082 Soluble
63 S B -2.2622 Soluble
64 E B -2.7223 Soluble
65 T B -1.6680 Soluble
66 R B -1.7955 Soluble
67 Y B -1.6984 Soluble
68 N B 0.0000 Buried
69 Q B -3.0310 Soluble
70 K B -3.1528 Soluble
71 F B 0.0000 Buried
72 K B -3.6538 Soluble
74 D B -3.4233 Soluble
75 R B -2.2406 Soluble
76 F B 0.0000 Buried
77 T B -1.2609 Soluble
78 I B 0.0000 Buried
79 S B -0.4194 Soluble
80 V B -0.9809 Soluble
81 D B -1.7683 Soluble
82 K B -2.6189 Soluble
83 S B -1.9697 Soluble
84 K B -2.5747 Soluble
85 N B -1.9952 Soluble
86 T B 0.0000 Buried
87 L B 0.0000 Buried
88 Y B -0.5580 Soluble
89 L B 0.0000 Buried
90 Q B -1.4392 Soluble
91 M B 0.0000 Buried
92 N B -1.6364 Soluble
93 S B -1.5407 Soluble
94 L B 0.0000 Buried
95 R B -2.7676 Soluble
96 A B -1.9434 Soluble
97 E B -2.3762 Soluble
98 D B 0.0000 Buried
99 T B -0.8273 Soluble
100 A B 0.0000 Buried
101 V B 0.1294 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.1936 Aggregation-prone
107 G B 0.0000 Buried
108 I B 1.3887 Aggregation-prone
109 Y B 2.0686 Aggregation-prone
110 F B 2.7277 Aggregation-prone
111 Y B 1.8076 Aggregation-prone
112A G B 0.2071 Aggregation-prone
112 T B 0.0000 Buried
113 T B 0.0000 Buried
114 Y B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.1045 Soluble
117 Y B 0.1631 Aggregation-prone
118 W B -0.2217 Soluble
119 G B 0.0000 Buried
120 Q B -1.3021 Soluble
121 G B -0.5521 Soluble
122 T B 0.0378 Aggregation-prone
123 L B 0.1938 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -0.7410 Soluble
128 S B -0.6009 Soluble
129 A B -0.4813 Soluble
130 S B -0.6158 Soluble
131 T B -0.8292 Soluble
132 K B -1.5308 Soluble
133 G B -1.6774 Soluble
134 P B -0.7731 Soluble
135 S B -0.6193 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.1042 Soluble
139 L B 0.0000 Buried
140 A B -0.6403 Soluble
141 P B -0.3594 Soluble
142 S B -0.1253 Soluble
143 S B -0.3888 Soluble
144 G B -0.6443 Soluble
145 T B -0.4815 Soluble
146 A B 0.0000 Buried
147 A B 0.0000 Buried
148 L B 0.0000 Buried
149 G B 0.0000 Buried
150 C B 0.0000 Buried
151 L B 0.0000 Buried
152 V B 0.0000 Buried
153 K B 0.0000 Buried
154 D B -0.7651 Soluble
155 Y B 0.0000 Buried
156 F B -0.3708 Soluble
157 P B 0.0000 Buried
158 E B -0.4405 Soluble
159 P B -0.5886 Soluble
160 V B -0.6435 Soluble
161 T B -0.6313 Soluble
162 V B 0.0000 Buried
163 S B -0.5480 Soluble
164 W B 0.0000 Buried
165 N B -0.8179 Soluble
166 S B -0.7781 Soluble
167 G B -0.6852 Soluble
168 A B -0.3232 Soluble
169 L B -0.1137 Soluble
170 T B -0.1943 Soluble
171 S B -0.2105 Soluble
172 G B -0.1882 Soluble
173 V B 0.1847 Aggregation-prone
174 H B -0.3156 Soluble
175 T B -0.0635 Soluble
176 F B 0.0000 Buried
177 P B -0.3289 Soluble
178 A B 0.1530 Aggregation-prone
179 V B 0.3719 Aggregation-prone
180 L B 0.9333 Aggregation-prone
181 Q B -0.0266 Soluble
182 S B -0.2378 Soluble
183 S B -0.3928 Soluble
184 G B -0.2485 Soluble
185 L B -0.0985 Soluble
186 Y B 0.2244 Aggregation-prone
187 S B 0.1886 Aggregation-prone
188 L B 0.0000 Buried
189 S B 0.0000 Buried
190 S B 0.0000 Buried
191 V B 0.0000 Buried
192 V B 0.0000 Buried
193 T B -0.1296 Soluble
194 V B 0.0000 Buried
195 P B -0.4590 Soluble
196 S B -0.5250 Soluble
197 S B -0.5493 Soluble
198 S B -0.5235 Soluble
199 L B -0.5627 Soluble
200 G B -0.9811 Soluble
201 T B -0.7190 Soluble
202 Q B -1.3376 Soluble
203 T B -1.0519 Soluble
204 Y B 0.0000 Buried
205 I B -1.0602 Soluble
206 C B 0.0000 Buried
207 N B -1.4810 Soluble
208 V B 0.0000 Buried
209 N B -1.7700 Soluble
210 H B 0.0000 Buried
211 K B -2.7112 Soluble
212 P B -1.4917 Soluble
213 S B -1.8193 Soluble
214 N B -2.5283 Soluble
215 T B -2.0527 Soluble
216 K B -2.6581 Soluble
217 V B -1.6096 Soluble
218 D B -2.4753 Soluble
219 K B -2.0047 Soluble
220 K B -1.9212 Soluble
221 V B 0.0000 Buried
222 E B -2.2175 Soluble
1 D A -2.2615 Soluble
2 I A 0.0000 Buried
3 Q A -2.1883 Soluble
4 M A 0.0000 Buried
5 T A -1.1000 Soluble
6 Q A 0.0000 Buried
7 S A -0.4600 Soluble
8 P A -0.4605 Soluble
9 S A -0.6330 Soluble
10 S A -0.5951 Soluble
11 L A -0.4694 Soluble
12 S A -0.7896 Soluble
13 A A -1.2504 Soluble
14 S A -1.2770 Soluble
15 V A -0.6308 Soluble
16 G A -1.1952 Soluble
17 D A -2.2536 Soluble
18 R A -2.5795 Soluble
19 V A 0.0000 Buried
20 T A -0.6697 Soluble
21 I A 0.0000 Buried
22 T A -0.7329 Soluble
23 C A 0.0000 Buried
24 R A -2.1422 Soluble
25 A A 0.0000 Buried
26 S A -2.0301 Soluble
27 K A -2.4882 Soluble
28 T A -1.5796 Soluble
29 I A 0.0000 Buried
36 S A -1.4129 Soluble
37 K A -1.6888 Soluble
38 Y A -0.7014 Soluble
39 L A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A 0.0000 Buried
45 K A -1.7116 Soluble
46 P A -1.3645 Soluble
47 G A -1.5970 Soluble
48 K A -2.5544 Soluble
49 A A -1.6185 Soluble
50 P A 0.0000 Buried
51 K A -1.3735 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.1036 Aggregation-prone
56 S A -0.2083 Soluble
57 G A 0.0000 Buried
65 S A -0.4405 Soluble
66 T A 0.0914 Aggregation-prone
67 L A 0.2884 Aggregation-prone
68 Q A -0.2953 Soluble
69 S A -0.3769 Soluble
70 G A -0.4958 Soluble
71 V A -0.3418 Soluble
72 P A -0.3567 Soluble
74 S A -0.4612 Soluble
75 R A -0.8808 Soluble
76 F A 0.0000 Buried
77 S A -0.2971 Soluble
78 G A -0.2653 Soluble
79 S A -0.9334 Soluble
80 G A -1.5218 Soluble
83 S A -1.5803 Soluble
84 G A -1.5816 Soluble
85 T A -2.0432 Soluble
86 D A -2.7309 Soluble
87 F A 0.0000 Buried
88 T A -0.8072 Soluble
89 L A 0.0000 Buried
90 T A -0.6217 Soluble
91 I A 0.0000 Buried
92 S A -1.5085 Soluble
93 S A -1.4078 Soluble
94 L A 0.0000 Buried
95 Q A -1.2443 Soluble
96 P A -1.8445 Soluble
97 E A -2.2366 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 A A 0.0000 Buried
101 T A -0.6589 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 H A 0.0000 Buried
108 N A -1.0099 Soluble
109 E A -1.2273 Soluble
114 Y A -0.8581 Soluble
115 P A -1.0616 Soluble
116 L A 0.0000 Buried
117 T A -0.8995 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.6152 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -1.0462 Soluble
124 V A 0.0000 Buried
125 E A -1.3435 Soluble
126 I A 0.0000 Buried
127 K A -1.5735 Soluble
128 R A -0.8028 Soluble
129 T A 0.1899 Aggregation-prone
130 V A 1.0091 Aggregation-prone
131 A A 0.3842 Aggregation-prone
132 A A 0.1448 Aggregation-prone
133 P A 0.0000 Buried
134 S A 0.0403 Aggregation-prone
135 V A 0.1286 Aggregation-prone
136 F A 0.1981 Aggregation-prone
137 I A 0.0917 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.2981 Soluble
140 P A -0.7914 Soluble
141 S A -1.7101 Soluble
142 D A -3.0806 Soluble
143 E A -3.2893 Soluble
144 Q A 0.0000 Buried
145 L A -2.3652 Soluble
146 K A -2.9312 Soluble
147 S A -1.7824 Soluble
148 G A -1.4167 Soluble
149 T A -1.0723 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.8021 Soluble
159 F A 0.0000 Buried
160 Y A -0.6622 Soluble
161 P A -1.3348 Soluble
162 R A -2.4927 Soluble
163 E A -2.9492 Soluble
164 A A -2.1942 Soluble
165 K A -2.3587 Soluble
166 V A -1.3151 Soluble
167 Q A -0.5164 Soluble
168 W A 0.0000 Buried
169 K A -0.3352 Soluble
170 V A 0.0000 Buried
171 D A -1.1985 Soluble
172 N A -1.0809 Soluble
173 A A -0.0838 Soluble
174 L A 0.8396 Aggregation-prone
175 Q A -0.0382 Soluble
176 S A -0.3791 Soluble
177 G A -0.7236 Soluble
178 N A -0.8119 Soluble
179 S A -1.0561 Soluble
180 Q A -1.2587 Soluble
181 E A -1.8433 Soluble
182 S A 0.0000 Buried
183 V A -0.9424 Soluble
184 T A -1.1698 Soluble
185 E A -1.9833 Soluble
186 Q A 0.0000 Buried
187 D A -2.0919 Soluble
188 S A -2.3222 Soluble
189 K A -2.6484 Soluble
190 D A -1.8259 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.6170 Soluble
199 L A 0.0000 Buried
200 T A -0.4207 Soluble
201 L A -0.6485 Soluble
202 S A -1.3695 Soluble
203 K A -2.1749 Soluble
204 A A -2.0621 Soluble
205 D A -2.7071 Soluble
206 Y A 0.0000 Buried
207 E A -3.4206 Soluble
208 K A -3.5288 Soluble
209 H A -2.8520 Soluble
210 K A -2.9900 Soluble
211 V A -1.2046 Soluble
212 Y A 0.0000 Buried
213 A A -0.8415 Soluble
214 C A 0.0000 Buried
215 E A -0.8682 Soluble
216 V A 0.0000 Buried
217 T A -1.1484 Soluble
218 H A 0.0000 Buried
219 Q A -1.5749 Soluble
220 G A -0.2136 Soluble
221 L A -0.1071 Soluble
222 S A -0.4142 Soluble
223 S A -0.3652 Soluble
224 P A -0.4585 Soluble
225 V A 0.2104 Aggregation-prone
226 T A -0.3740 Soluble
227 K A -0.8755 Soluble
228 S A -0.7079 Soluble
229 F A 0.0000 Buried
230 N A -1.9758 Soluble
231 R A -2.5989 Soluble
232 G A -2.1189 Soluble
233 E A -2.2923 Soluble
234 C A -0.9705 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7829 5.1518 CSV PDB
4.5 -0.8265 5.1518 CSV PDB
5.0 -0.8794 5.1518 CSV PDB
5.5 -0.9311 5.1518 CSV PDB
6.0 -0.9686 5.1518 CSV PDB
6.5 -0.9812 5.1518 CSV PDB
7.0 -0.9671 5.1518 CSV PDB
7.5 -0.9346 5.1518 CSV PDB
8.0 -0.892 5.1516 CSV PDB
8.5 -0.8425 5.1511 CSV PDB
9.0 -0.7865 5.1497 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH