Efalizumab / 3eo9

A4DAB098_3eo9_H_L | Source PDB: 3eo9 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7274
Max Score
2.5761
Min Score
-3.6067
Total Score
-310.61
Score CDR
-0.5527
Score non-CDR
-0.7495

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGHWMNWVRQAPGKGLEWVGMIHPSDSETRYNQKFKDRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARGIYFYGTTYFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVDIQMTQSPSSLSASVGDRVTITCRASKTISKYLAWYQQKPGKAPKLLIYSGSTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHNEYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.6067
Maximum Score 2.5761
Average Score -0.7274
Total Score -310.6089

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

Index Residue Chain A4D Score Classification
1 E H -2.1513 Soluble
2 V H -1.2154 Soluble
3 Q H -1.4467 Soluble
4 L H 0.0000 Buried
5 V H 0.2007 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4719 Soluble
8 G H -0.7164 Soluble
9 G H -0.0723 Soluble
11 G H 0.5568 Aggregation-prone
12 L H 0.8117 Aggregation-prone
13 V H -0.2962 Soluble
14 Q H -1.4881 Soluble
15 P H -1.5759 Soluble
16 G H -1.3838 Soluble
17 G H -0.9937 Soluble
18 S H -1.1853 Soluble
19 L H -0.9351 Soluble
20 R H -2.0839 Soluble
21 L H 0.0000 Buried
22 S H -0.4625 Soluble
23 C H 0.0000 Buried
24 A H -0.3251 Soluble
25 A H 0.0000 Buried
26 S H -1.1105 Soluble
27 G H -1.4504 Soluble
28 Y H -0.8672 Soluble
29 S H -0.6137 Soluble
30 F H 0.0000 Buried
35 T H -1.1440 Soluble
36 G H -0.6547 Soluble
37 H H -0.3781 Soluble
38 W H -0.2873 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 -0.5735 Soluble
45 A H -1.0209 Soluble
46 P H -0.8470 Soluble
47 G H -1.4616 Soluble
48 K H -2.3538 Soluble
49 G H -1.5116 Soluble
50 L H 0.0000 Buried
51 E H -0.7519 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 -1.6910 Soluble
58 P H 0.0000 Buried
59 S H -1.8671 Soluble
62 D H -2.7762 Soluble
63 S H -2.3649 Soluble
64 E H -2.6933 Soluble
65 T H -1.6178 Soluble
66 R H -1.5634 Soluble
67 Y H -1.4910 Soluble
68 N H 0.0000 Buried
69 Q H -3.0987 Soluble
70 K H -3.1178 Soluble
71 F H 0.0000 Buried
72 K H -3.6067 Soluble
74 D H -3.3394 Soluble
75 R H -2.1720 Soluble
76 F H 0.0000 Buried
77 T H -1.1193 Soluble
78 I H 0.0000 Buried
79 S H -0.5892 Soluble
80 V H -1.3248 Soluble
81 D H -2.1392 Soluble
82 K H -3.0080 Soluble
83 S H -2.1065 Soluble
84 K H -2.6759 Soluble
85 N H -2.0508 Soluble
86 T H -1.2282 Soluble
87 L H 0.0000 Buried
88 Y H -0.4570 Soluble
89 L H 0.0000 Buried
90 Q H -1.2474 Soluble
91 M H 0.0000 Buried
92 N H -1.4978 Soluble
93 S H -1.2876 Soluble
94 L H 0.0000 Buried
95 R H -2.1580 Soluble
96 A H -1.6401 Soluble
97 E H -2.1434 Soluble
98 D H 0.0000 Buried
99 T H -0.4218 Soluble
100 A H 0.0000 Buried
101 V H 0.6101 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 0.0540 Aggregation-prone
107 G H 0.0000 Buried
108 I H 1.1703 Aggregation-prone
109 Y H 1.7521 Aggregation-prone
110 F H 2.5761 Aggregation-prone
111 Y H 1.5596 Aggregation-prone
112A G H 0.2207 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 -0.0575 Soluble
117 Y H 0.2773 Aggregation-prone
118 W H -0.3475 Soluble
119 G H 0.0000 Buried
120 Q H -1.4292 Soluble
121 G H -0.4606 Soluble
122 T H 0.3284 Aggregation-prone
123 L H 1.2002 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0104 Soluble
126 V H 0.0000 Buried
127 S H -0.6157 Soluble
128 S H -0.6543 Soluble
129 A H -0.6566 Soluble
130 S H -0.8546 Soluble
131 T H -1.1954 Soluble
132 K H -2.0857 Soluble
133 G H -1.8748 Soluble
134 P H 0.0000 Buried
135 S H -0.5901 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.6459 Soluble
139 L H 0.0000 Buried
140 A H -0.1358 Soluble
141 P H -0.0184 Soluble
142 S H -0.2440 Soluble
143 S H -0.4854 Soluble
144 G H -0.6515 Soluble
145 T H -0.4989 Soluble
146 A H -0.2691 Soluble
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 -0.7452 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -1.2449 Soluble
158 E H -1.5890 Soluble
159 P H -1.5089 Soluble
160 V H -1.1916 Soluble
161 T H -0.9100 Soluble
162 V H -0.2656 Soluble
163 S H -0.4132 Soluble
164 W H 0.0000 Buried
165 N H -0.6713 Soluble
166 S H -0.5899 Soluble
167 G H -0.5675 Soluble
168 A H -0.2427 Soluble
169 L H -0.0105 Soluble
170 T H -0.1779 Soluble
171 S H -0.1892 Soluble
172 G H -0.2800 Soluble
173 V H 0.1791 Aggregation-prone
174 H H -0.3013 Soluble
175 T H -0.0029 Soluble
176 F H 0.0000 Buried
177 P H -0.3494 Soluble
178 A H 0.0151 Aggregation-prone
179 V H 0.4717 Aggregation-prone
180 L H 1.0634 Aggregation-prone
181 Q H 0.2724 Aggregation-prone
182 S H -0.0330 Soluble
183 S H -0.2128 Soluble
184 G H 0.0328 Aggregation-prone
185 L H -0.2409 Soluble
186 Y H 0.0000 Buried
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 -0.1407 Soluble
194 V H 0.0000 Buried
195 P H -0.5509 Soluble
196 S H -0.5302 Soluble
197 S H -0.5549 Soluble
198 S H -0.4812 Soluble
199 L H -0.1897 Soluble
200 G H -0.5684 Soluble
201 T H -0.6225 Soluble
202 Q H -0.9502 Soluble
203 T H -0.6159 Soluble
204 Y H 0.0000 Buried
205 I H -0.6709 Soluble
206 C H 0.0000 Buried
207 N H -1.4287 Soluble
208 V H 0.0000 Buried
209 N H -2.4923 Soluble
210 H H 0.0000 Buried
211 K H -3.0730 Soluble
212 P H -2.0413 Soluble
213 S H -2.1411 Soluble
214 N H -2.8323 Soluble
215 T H -2.3793 Soluble
216 K H -2.8066 Soluble
217 V H -1.4033 Soluble
218 D H -2.0865 Soluble
219 K H -1.5337 Soluble
220 K H -1.7836 Soluble
221 V H -0.3741 Soluble
1 D L -2.6429 Soluble
2 I L 0.0000 Buried
3 Q L -2.3239 Soluble
4 M L 0.0000 Buried
5 T L -1.3395 Soluble
6 Q L 0.0000 Buried
7 S L -0.8096 Soluble
8 P L -0.6024 Soluble
9 S L -0.8974 Soluble
10 S L -0.8300 Soluble
11 L L -0.3439 Soluble
12 S L -0.5765 Soluble
13 A L 0.0000 Buried
14 S L -0.2055 Soluble
15 V L 0.5721 Aggregation-prone
16 G L -0.6147 Soluble
17 D L -1.4995 Soluble
18 R L -2.2143 Soluble
19 V L 0.0000 Buried
20 T L -0.6062 Soluble
21 I L 0.0000 Buried
22 T L -0.7641 Soluble
23 C L 0.0000 Buried
24 R L -2.6025 Soluble
25 A L 0.0000 Buried
26 S L -2.1534 Soluble
27 K L -2.5949 Soluble
28 T L -1.5994 Soluble
29 I L 0.0000 Buried
36 S L -1.4788 Soluble
37 K L -1.7072 Soluble
38 Y L -0.8620 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 -1.5257 Soluble
45 K L -2.0402 Soluble
46 P L -1.3893 Soluble
47 G L -1.7415 Soluble
48 K L -2.7229 Soluble
49 A L -1.6639 Soluble
50 P L 0.0000 Buried
51 K L -1.6068 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0404 Aggregation-prone
56 S L -0.3766 Soluble
57 G L 0.0000 Buried
65 S L -0.5078 Soluble
66 T L -0.0299 Soluble
67 L L 0.1300 Aggregation-prone
68 Q L -0.3841 Soluble
69 S L -0.4015 Soluble
70 G L -0.5185 Soluble
71 V L -0.3495 Soluble
72 P L -0.3368 Soluble
74 S L -0.3862 Soluble
75 R L -0.7446 Soluble
76 F L 0.0000 Buried
77 S L -0.3048 Soluble
78 G L -0.3139 Soluble
79 S L -0.8616 Soluble
80 G L -1.3330 Soluble
83 S L -1.4670 Soluble
84 G L -1.4676 Soluble
85 T L -1.9056 Soluble
86 D L -2.1922 Soluble
87 F L 0.0000 Buried
88 T L -0.7219 Soluble
89 L L 0.0000 Buried
90 T L -0.6017 Soluble
91 I L 0.0000 Buried
92 S L -1.2602 Soluble
93 S L -1.0603 Soluble
94 L L 0.0000 Buried
95 Q L -0.7341 Soluble
96 P L -0.7851 Soluble
97 E L -1.8576 Soluble
98 D L 0.0000 Buried
99 F L -0.4893 Soluble
100 A L 0.0000 Buried
101 T L -1.0835 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 -1.2296 Soluble
109 E L -1.9156 Soluble
114 Y L -1.1931 Soluble
115 P L -1.3021 Soluble
116 L L 0.0000 Buried
117 T L -0.9116 Soluble
118 F L -0.4027 Soluble
119 G L 0.0000 Buried
120 Q L -1.7778 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.8498 Soluble
124 V L 0.0000 Buried
125 E L -0.8014 Soluble
126 I L 0.0957 Aggregation-prone
127 K L -0.9046 Soluble
128 R L -0.9152 Soluble
129 T L -0.0409 Soluble
130 V L 0.4939 Aggregation-prone
131 A L 0.0473 Aggregation-prone
132 A L -0.0583 Soluble
133 P L 0.0000 Buried
134 S L -0.1661 Soluble
135 V L 0.0000 Buried
136 F L -0.0308 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7479 Soluble
140 P L -0.8311 Soluble
141 S L -1.6023 Soluble
142 D L -2.9290 Soluble
143 E L -2.8963 Soluble
144 Q L 0.0000 Buried
145 L L -2.2417 Soluble
146 K L -2.7764 Soluble
147 S L -1.7084 Soluble
148 G L -1.2509 Soluble
149 T L -1.0503 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 -0.8800 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5629 Soluble
162 R L -2.7309 Soluble
163 E L -3.0588 Soluble
164 A L -2.2443 Soluble
165 K L -2.3574 Soluble
166 V L -0.9722 Soluble
167 Q L -0.5033 Soluble
168 W L 0.0000 Buried
169 K L -0.4671 Soluble
170 V L 0.0000 Buried
171 D L -1.7262 Soluble
172 N L -1.4102 Soluble
173 A L -0.2163 Soluble
174 L L 0.7378 Aggregation-prone
175 Q L -0.2472 Soluble
176 S L -0.6319 Soluble
177 G L -1.3255 Soluble
178 N L -1.6878 Soluble
179 S L -1.4629 Soluble
180 Q L -1.4390 Soluble
181 E L -1.5479 Soluble
182 S L -0.8850 Soluble
183 V L -0.8119 Soluble
184 T L -1.2088 Soluble
185 E L -2.2532 Soluble
186 Q L -1.8591 Soluble
187 D L -2.0742 Soluble
188 S L -1.7971 Soluble
189 K L -2.3413 Soluble
190 D L -1.8485 Soluble
191 S L -1.6999 Soluble
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 -0.7073 Soluble
199 L L 0.0000 Buried
200 T L -0.7250 Soluble
201 L L -0.9040 Soluble
202 S L -1.1255 Soluble
203 K L -2.1576 Soluble
204 A L -1.9450 Soluble
205 D L -2.6512 Soluble
206 Y L 0.0000 Buried
207 E L -3.2436 Soluble
208 K L -3.4619 Soluble
209 H L -2.6013 Soluble
210 K L -2.3884 Soluble
211 V L -0.7809 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7680 Soluble
216 V L 0.0000 Buried
217 T L -1.2068 Soluble
218 H L 0.0000 Buried
219 Q L -1.6772 Soluble
220 G L -0.3959 Soluble
221 L L -0.1828 Soluble
222 S L -0.4406 Soluble
223 S L -0.4083 Soluble
224 P L -0.5783 Soluble
225 V L -0.0165 Soluble
226 T L -0.4814 Soluble
227 K L -0.6960 Soluble
228 S L -0.4228 Soluble
229 F L -0.7439 Soluble
230 N L -1.4871 Soluble
231 R L -2.0617 Soluble
232 G L -2.0917 Soluble
233 E L -2.4149 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 -0.8004 4.9686 CSV PDB
4.5 -0.8451 4.9686 CSV PDB
5.0 -0.8968 4.9686 CSV PDB
5.5 -0.9454 4.9686 CSV PDB
6.0 -0.9785 4.9686 CSV PDB
6.5 -0.9853 4.9686 CSV PDB
7.0 -0.9644 4.9686 CSV PDB
7.5 -0.9246 4.9686 CSV PDB
8.0 -0.8743 4.9684 CSV PDB
8.5 -0.8164 4.9678 CSV PDB
9.0 -0.7514 4.9659 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH