Efalizumab / 3eob

A4DAB098_3eob_H_L | Source PDB: 3eob | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7395
Max Score
2.5905
Min Score
-3.6835
Total Score
-317.24
Score CDR
-0.5669
Score non-CDR
-0.7612

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 -3.6835
Maximum Score 2.5905
Average Score -0.7395
Total Score -317.2378

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

Index Residue Chain A4D Score Classification
1 E H -2.0437 Soluble
2 V H -0.9507 Soluble
3 Q H -0.9995 Soluble
4 L H 0.0000 Buried
5 V H 0.5309 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5608 Soluble
8 G H -1.0118 Soluble
9 G H -0.7147 Soluble
11 G H -0.2889 Soluble
12 L H -0.0076 Soluble
13 V H -0.7039 Soluble
14 Q H -1.6178 Soluble
15 P H -1.6403 Soluble
16 G H -1.5833 Soluble
17 G H -1.3956 Soluble
18 S H -1.6665 Soluble
19 L H -1.4579 Soluble
20 R H -2.3771 Soluble
21 L H 0.0000 Buried
22 S H -0.5501 Soluble
23 C H 0.0000 Buried
24 A H -0.3698 Soluble
25 A H -0.5152 Soluble
26 S H -0.9011 Soluble
27 G H -1.2378 Soluble
28 Y H -0.6020 Soluble
29 S H -0.4568 Soluble
30 F H 0.0000 Buried
35 T H -1.0881 Soluble
36 G H -0.6482 Soluble
37 H H -0.3830 Soluble
38 W H 0.0000 Buried
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 -0.2796 Soluble
44 Q H -0.7643 Soluble
45 A H -1.2174 Soluble
46 P H -1.1383 Soluble
47 G H -1.4742 Soluble
48 K H -2.3362 Soluble
49 G H -1.6103 Soluble
50 L H 0.0000 Buried
51 E H -0.9370 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 -1.5213 Soluble
58 P H 0.0000 Buried
59 S H -1.7838 Soluble
62 D H -2.6389 Soluble
63 S H -2.2438 Soluble
64 E H -2.7018 Soluble
65 T H -1.6718 Soluble
66 R H -1.6610 Soluble
67 Y H -1.5309 Soluble
68 N H 0.0000 Buried
69 Q H -3.0647 Soluble
70 K H -3.1899 Soluble
71 F H 0.0000 Buried
72 K H -3.6835 Soluble
74 D H -3.5481 Soluble
75 R H -2.7130 Soluble
76 F H 0.0000 Buried
77 T H -1.4128 Soluble
78 I H 0.0000 Buried
79 S H -0.7362 Soluble
80 V H -1.0324 Soluble
81 D H -1.9410 Soluble
82 K H -2.8506 Soluble
83 S H -2.1160 Soluble
84 K H -2.7096 Soluble
85 N H -2.2658 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.6604 Soluble
91 M H 0.0000 Buried
92 N H -2.4297 Soluble
93 S H -1.7869 Soluble
94 L H 0.0000 Buried
95 R H -2.6359 Soluble
96 A H -1.8423 Soluble
97 E H -2.3229 Soluble
98 D H 0.0000 Buried
99 T H -0.7859 Soluble
100 A H 0.0000 Buried
101 V H 0.1842 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 0.0126 Aggregation-prone
107 G H 0.0000 Buried
108 I H 1.1621 Aggregation-prone
109 Y H 1.7124 Aggregation-prone
110 F H 2.5905 Aggregation-prone
111 Y H 1.7431 Aggregation-prone
112A G H -0.1832 Soluble
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 -0.1441 Soluble
117 Y H 0.1515 Aggregation-prone
118 W H -0.2975 Soluble
119 G H 0.0000 Buried
120 Q H -1.3226 Soluble
121 G H -0.6454 Soluble
122 T H -0.0079 Soluble
123 L H 0.4344 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4028 Soluble
126 V H 0.0000 Buried
127 S H -0.9845 Soluble
128 S H -0.7139 Soluble
129 A H -0.4614 Soluble
130 S H -0.5717 Soluble
131 T H -0.7331 Soluble
132 K H -1.2599 Soluble
133 G H -1.3412 Soluble
134 P H 0.0000 Buried
135 S H -0.3178 Soluble
136 V H 0.0000 Buried
137 F H -0.5579 Soluble
138 P H -0.9662 Soluble
139 L H 0.0000 Buried
140 A H -0.6881 Soluble
141 P H -0.4413 Soluble
142 S H -0.1688 Soluble
143 S H -0.3818 Soluble
144 G H -0.6466 Soluble
145 T H -0.5232 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 -0.3096 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.5012 Soluble
159 P H -0.4897 Soluble
160 V H -0.3904 Soluble
161 T H -0.3195 Soluble
162 V H -0.1891 Soluble
163 S H -0.3868 Soluble
164 W H 0.0000 Buried
165 N H -0.8418 Soluble
166 S H -0.6441 Soluble
167 G H -0.4365 Soluble
168 A H -0.1666 Soluble
169 L H 0.0694 Aggregation-prone
170 T H -0.1017 Soluble
171 S H -0.1367 Soluble
172 G H -0.1998 Soluble
173 V H 0.2164 Aggregation-prone
174 H H -0.2891 Soluble
175 T H 0.0808 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.0777 Soluble
178 A H 0.4013 Aggregation-prone
179 V H 0.7264 Aggregation-prone
180 L H 1.5290 Aggregation-prone
181 Q H 0.3823 Aggregation-prone
182 S H -0.0584 Soluble
183 S H -0.2008 Soluble
184 G H 0.0132 Aggregation-prone
185 L H 0.2408 Aggregation-prone
186 Y H 0.6105 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 -0.1203 Soluble
194 V H 0.0000 Buried
195 P H -0.4954 Soluble
196 S H -0.5846 Soluble
197 S H -0.6154 Soluble
198 S H -0.6127 Soluble
199 L H -0.7232 Soluble
200 G H -1.0621 Soluble
201 T H -0.7776 Soluble
202 Q H -1.1702 Soluble
203 T H -1.2302 Soluble
204 Y H 0.0000 Buried
205 I H -1.5072 Soluble
206 C H 0.0000 Buried
207 N H -1.5689 Soluble
208 V H 0.0000 Buried
209 N H -1.8144 Soluble
210 H H 0.0000 Buried
211 K H -2.6717 Soluble
212 P H -1.5683 Soluble
213 S H -1.8164 Soluble
214 N H -2.5161 Soluble
215 T H -2.1505 Soluble
216 K H -2.6623 Soluble
217 V H -1.7127 Soluble
218 D H -2.5591 Soluble
219 K H -2.1455 Soluble
220 K H -2.5173 Soluble
221 V H 0.0000 Buried
222 E H -2.2768 Soluble
1 D L -2.3743 Soluble
2 I L -1.8904 Soluble
3 Q L -2.1101 Soluble
4 M L 0.0000 Buried
5 T L -1.2313 Soluble
6 Q L 0.0000 Buried
7 S L -0.5482 Soluble
8 P L -0.4808 Soluble
9 S L -0.6600 Soluble
10 S L -0.5104 Soluble
11 L L -0.2783 Soluble
12 S L -0.6503 Soluble
13 A L -1.0168 Soluble
14 S L -1.1143 Soluble
15 V L -0.5586 Soluble
16 G L -1.0245 Soluble
17 D L -1.9265 Soluble
18 R L -2.4236 Soluble
19 V L 0.0000 Buried
20 T L -0.6471 Soluble
21 I L 0.0000 Buried
22 T L -0.8705 Soluble
23 C L 0.0000 Buried
24 R L -2.6030 Soluble
25 A L -1.9976 Soluble
26 S L -2.0555 Soluble
27 K L -2.5157 Soluble
28 T L -1.7194 Soluble
29 I L 0.0000 Buried
36 S L -1.5852 Soluble
37 K L -2.1903 Soluble
38 Y L -1.0232 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 -1.2703 Soluble
45 K L -1.7817 Soluble
46 P L -1.3144 Soluble
47 G L -1.7343 Soluble
48 K L -2.5551 Soluble
49 A L -1.5773 Soluble
50 P L 0.0000 Buried
51 K L -1.4754 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0835 Aggregation-prone
56 S L -0.3983 Soluble
57 G L 0.0000 Buried
65 S L -0.5193 Soluble
66 T L 0.0566 Aggregation-prone
67 L L 0.2558 Aggregation-prone
68 Q L -0.2920 Soluble
69 S L -0.3835 Soluble
70 G L -0.5046 Soluble
71 V L -0.3569 Soluble
72 P L -0.3615 Soluble
74 S L -0.4381 Soluble
75 R L -0.7850 Soluble
76 F L 0.0000 Buried
77 S L -0.2709 Soluble
78 G L -0.2610 Soluble
79 S L -1.0298 Soluble
80 G L -1.5755 Soluble
83 S L -1.7520 Soluble
84 G L -1.6916 Soluble
85 T L -2.2135 Soluble
86 D L -2.9407 Soluble
87 F L 0.0000 Buried
88 T L -0.8593 Soluble
89 L L 0.0000 Buried
90 T L -0.6160 Soluble
91 I L 0.0000 Buried
92 S L -1.4645 Soluble
93 S L -1.3123 Soluble
94 L L 0.0000 Buried
95 Q L -1.1738 Soluble
96 P L -1.8712 Soluble
97 E L -2.3473 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.6598 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 -1.6379 Soluble
109 E L -2.2222 Soluble
114 Y L -1.2518 Soluble
115 P L -1.2581 Soluble
116 L L 0.0000 Buried
117 T L -0.9577 Soluble
118 F L 0.0000 Buried
119 G L -0.9525 Soluble
120 Q L -1.5785 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.0145 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.4685 Soluble
128 R L -1.1197 Soluble
129 T L -0.0428 Soluble
130 V L 0.8867 Aggregation-prone
131 A L 0.1194 Aggregation-prone
132 A L -0.0614 Soluble
133 P L 0.0000 Buried
134 S L -0.0976 Soluble
135 V L 0.1552 Aggregation-prone
136 F L 0.1929 Aggregation-prone
137 I L 0.2131 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5099 Soluble
140 P L 0.0000 Buried
141 S L -1.4275 Soluble
142 D L -2.7425 Soluble
143 E L -2.5405 Soluble
144 Q L 0.0000 Buried
145 L L -2.3073 Soluble
146 K L -2.7236 Soluble
147 S L -1.7264 Soluble
148 G L -1.3985 Soluble
149 T L -1.1419 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 -1.2883 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3172 Soluble
162 R L -2.1045 Soluble
163 E L -2.6490 Soluble
164 A L -1.9722 Soluble
165 K L -2.1891 Soluble
166 V L -0.8322 Soluble
167 Q L -0.3212 Soluble
168 W L 0.0000 Buried
169 K L -0.7517 Soluble
170 V L 0.0000 Buried
171 D L -2.2297 Soluble
172 N L -1.7021 Soluble
173 A L -0.5272 Soluble
174 L L 0.5962 Aggregation-prone
175 Q L -0.0833 Soluble
176 S L -0.3259 Soluble
177 G L -0.7198 Soluble
178 N L -0.8297 Soluble
179 S L -1.1155 Soluble
180 Q L -1.3762 Soluble
181 E L -2.0004 Soluble
182 S L 0.0000 Buried
183 V L -0.3703 Soluble
184 T L -0.7524 Soluble
185 E L -1.3363 Soluble
186 Q L 0.0000 Buried
187 D L -2.1134 Soluble
188 S L -2.3244 Soluble
189 K L -2.7968 Soluble
190 D L -2.1317 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 -0.6397 Soluble
199 L L 0.0000 Buried
200 T L -0.4443 Soluble
201 L L -0.6626 Soluble
202 S L -1.3464 Soluble
203 K L -2.2773 Soluble
204 A L -1.9357 Soluble
205 D L -2.5481 Soluble
206 Y L 0.0000 Buried
207 E L -3.4812 Soluble
208 K L -3.4962 Soluble
209 H L -2.8480 Soluble
210 K L -2.7456 Soluble
211 V L -1.1634 Soluble
212 Y L 0.0000 Buried
213 A L -0.9127 Soluble
214 C L 0.0000 Buried
215 E L -0.4803 Soluble
216 V L 0.0000 Buried
217 T L -1.0135 Soluble
218 H L 0.0000 Buried
219 Q L -1.5741 Soluble
220 G L -0.2980 Soluble
221 L L -0.2468 Soluble
222 S L -0.4860 Soluble
223 S L -0.4388 Soluble
224 P L -0.4895 Soluble
225 V L 0.0838 Aggregation-prone
226 T L -0.3661 Soluble
227 K L -0.7322 Soluble
228 S L -0.4800 Soluble
229 F L 0.0000 Buried
230 N L -1.7615 Soluble
231 R L -2.2812 Soluble
232 G L -2.0334 Soluble
233 E L -2.2041 Soluble
234 C L -0.7618 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
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 -0.8166 5.0219 CSV PDB
4.5 -0.8639 5.0219 CSV PDB
5.0 -0.9188 5.0219 CSV PDB
5.5 -0.9702 5.0219 CSV PDB
6.0 -1.0056 5.0219 CSV PDB
6.5 -1.0146 5.0219 CSV PDB
7.0 -0.9972 5.0219 CSV PDB
7.5 -0.9628 5.0218 CSV PDB
8.0 -0.9192 5.0217 CSV PDB
8.5 -0.8686 5.0211 CSV PDB
9.0 -0.8105 5.0195 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH