Lumiliximab / 3fzu

A4DAB161_3fzu_C_D | Source PDB: 3fzu | Chains: C, D | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7572
Max Score
1.3723
Min Score
-3.603
Total Score
-323.32
Score CDR
-0.5699
Score non-CDR
-0.7792

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLAKPGGSLRLSCAASGFRFTFNNYYMDWVRQAPGQGLEWVSRISSSGDPTWYADSVKGRFTISRENAKNTLFLQMNSLRAEDTAVYYCASLTTGSDSWGQGVLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQDIRYYLNWYQQKPGKAPKLLIYVASSLQSGVPSRFSGSGSGTEFTLTVSSLQPEDFATYYCLQVYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) C (Heavy), D (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 -3.603
Maximum Score 1.3723
Average Score -0.7572
Total Score -323.3172

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

Index Residue Chain A4D Score Classification
1 E C -2.5263 Soluble
2 V C 0.0000 Buried
3 Q C -1.5079 Soluble
4 L C 0.0000 Buried
5 V C 1.1895 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3672 Soluble
8 G C -0.9510 Soluble
9 G C -0.7318 Soluble
11 G C -0.4923 Soluble
12 L C -0.2406 Soluble
13 A C -1.1083 Soluble
14 K C -2.2607 Soluble
15 P C -2.1119 Soluble
16 G C -1.6028 Soluble
17 G C -1.4792 Soluble
18 S C -1.5044 Soluble
19 L C -1.4332 Soluble
20 R C -2.2150 Soluble
21 L C 0.0000 Buried
22 S C -0.3594 Soluble
23 C C 0.0000 Buried
24 A C 0.0512 Aggregation-prone
25 A C 0.0000 Buried
26 S C -1.0646 Soluble
27 G C -1.5146 Soluble
28 F C -1.2031 Soluble
29 R C -1.3289 Soluble
30 F C 0.5471 Aggregation-prone
31 T C -0.4060 Soluble
34 F C 0.0000 Buried
35 N C -1.7499 Soluble
36 N C -1.6006 Soluble
37 Y C 0.0000 Buried
38 Y C -0.0640 Soluble
39 M C 0.0000 Buried
40 D C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7253 Soluble
45 A C -1.0526 Soluble
46 P C -0.8230 Soluble
47 G C -1.2389 Soluble
48 Q C -1.9244 Soluble
49 G C -1.4738 Soluble
50 L C 0.0000 Buried
51 E C -1.3810 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 R C -0.2261 Soluble
56 I C 0.0000 Buried
57 S C 0.0000 Buried
58 S C -1.2588 Soluble
59 S C -1.5358 Soluble
62 G C -1.5783 Soluble
63 D C -2.0669 Soluble
64 P C -1.3074 Soluble
65 T C -0.5821 Soluble
66 W C -0.3814 Soluble
67 Y C -0.7398 Soluble
68 A C -1.4623 Soluble
69 D C -2.4327 Soluble
70 S C -1.8507 Soluble
71 V C 0.0000 Buried
72 K C -2.5342 Soluble
74 G C -1.7392 Soluble
75 R C -1.2809 Soluble
76 F C 0.0000 Buried
77 T C -0.8281 Soluble
78 I C 0.0000 Buried
79 S C -0.7856 Soluble
80 R C -1.2895 Soluble
81 E C -2.1271 Soluble
82 N C -2.1502 Soluble
83 A C -1.5806 Soluble
84 K C -2.3020 Soluble
85 N C -1.8266 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 F C -0.5803 Soluble
89 L C 0.0000 Buried
90 Q C -1.4083 Soluble
91 M C 0.0000 Buried
92 N C -1.4981 Soluble
93 S C -1.3902 Soluble
94 L C 0.0000 Buried
95 R C -2.5668 Soluble
96 A C -1.9193 Soluble
97 E C -2.2955 Soluble
98 D C 0.0000 Buried
99 T C -0.7744 Soluble
100 A C 0.0000 Buried
101 V C 0.3011 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 S C 0.0000 Buried
107 L C 0.0000 Buried
108 T C -0.2274 Soluble
109 T C -0.1626 Soluble
114 G C -0.6929 Soluble
115 S C 0.0000 Buried
116 D C -0.9929 Soluble
117 S C -1.1645 Soluble
118 W C -0.5103 Soluble
119 G C 0.0000 Buried
120 Q C -1.2957 Soluble
121 G C -0.5341 Soluble
122 V C 0.0000 Buried
123 L C 0.1926 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.5320 Soluble
126 V C 0.0000 Buried
127 S C -1.2890 Soluble
128 S C -0.8507 Soluble
129 A C -0.6480 Soluble
130 S C -0.7966 Soluble
131 T C -1.0701 Soluble
132 K C -1.9522 Soluble
133 G C -1.8506 Soluble
134 P C 0.0000 Buried
135 S C -0.4077 Soluble
136 V C 0.0000 Buried
137 F C -0.5822 Soluble
138 P C -1.0430 Soluble
139 L C 0.0000 Buried
140 A C -1.4451 Soluble
141 P C 0.0000 Buried
142 S C -1.2060 Soluble
143 S C -0.5780 Soluble
144 G C -0.6701 Soluble
145 T C -0.5338 Soluble
146 A C -0.3061 Soluble
147 A C 0.0000 Buried
148 L C 0.0000 Buried
149 G C 0.0000 Buried
150 C C 0.0000 Buried
151 L C 0.0000 Buried
152 V C 0.0000 Buried
153 K C -0.3229 Soluble
154 D C -0.6737 Soluble
155 Y C 0.0000 Buried
156 F C 0.0000 Buried
157 P C 0.0000 Buried
158 E C -0.5524 Soluble
159 P C -0.6430 Soluble
160 V C -0.7010 Soluble
161 T C -0.6036 Soluble
162 V C -0.4145 Soluble
163 S C -0.4080 Soluble
164 W C 0.0000 Buried
165 N C -0.6981 Soluble
166 S C -0.6572 Soluble
167 G C -0.5565 Soluble
168 A C -0.2068 Soluble
169 L C 0.0520 Aggregation-prone
170 T C -0.1665 Soluble
171 S C -0.2048 Soluble
172 G C -0.1225 Soluble
173 V C 0.1870 Aggregation-prone
174 H C -0.2435 Soluble
175 T C 0.0083 Aggregation-prone
176 F C 0.0000 Buried
177 P C -0.2268 Soluble
178 A C 0.2825 Aggregation-prone
179 V C 0.6261 Aggregation-prone
180 L C 1.3723 Aggregation-prone
181 Q C 0.3219 Aggregation-prone
182 S C -0.0580 Soluble
183 S C -0.1923 Soluble
184 G C 0.0492 Aggregation-prone
185 L C -0.0422 Soluble
186 Y C 0.3695 Aggregation-prone
187 S C 0.0000 Buried
188 L C 0.0000 Buried
189 S C 0.0000 Buried
190 S C 0.0000 Buried
191 V C 0.0000 Buried
192 V C 0.0000 Buried
193 T C -0.1393 Soluble
194 V C 0.0000 Buried
195 P C -0.6001 Soluble
196 S C -0.6460 Soluble
197 S C -0.6140 Soluble
198 S C -0.5468 Soluble
199 L C -0.7648 Soluble
200 G C -0.9759 Soluble
201 T C -0.5968 Soluble
202 Q C -0.9632 Soluble
203 T C -0.9973 Soluble
204 Y C 0.0000 Buried
205 I C -1.3039 Soluble
206 C C 0.0000 Buried
207 N C -1.6408 Soluble
208 V C 0.0000 Buried
209 N C -1.9384 Soluble
210 H C 0.0000 Buried
211 K C -2.7161 Soluble
212 P C -1.6891 Soluble
213 S C -2.0829 Soluble
214 N C -2.6251 Soluble
215 T C -2.1534 Soluble
216 K C -2.6845 Soluble
217 V C -1.7165 Soluble
218 D C -2.6352 Soluble
219 K C -2.2466 Soluble
220 K C -2.5962 Soluble
221 V C 0.0000 Buried
222 E C -2.8217 Soluble
223 P C -1.8889 Soluble
224 K C -2.5728 Soluble
1 D D -2.2914 Soluble
2 I D 0.0000 Buried
3 Q D -2.1135 Soluble
4 M D 0.0000 Buried
5 T D -1.3234 Soluble
6 Q D 0.0000 Buried
7 S D -0.8258 Soluble
8 P D -0.6880 Soluble
9 S D -1.0417 Soluble
10 S D -0.9977 Soluble
11 L D -0.6959 Soluble
12 S D -0.8894 Soluble
13 A D -0.9407 Soluble
14 S D -0.8805 Soluble
15 V D 0.0463 Aggregation-prone
16 G D -0.6468 Soluble
17 D D -1.6154 Soluble
18 R D -2.2523 Soluble
19 V D 0.0000 Buried
20 T D -0.6206 Soluble
21 I D 0.0000 Buried
22 T D -0.8480 Soluble
23 C D 0.0000 Buried
24 R D -2.6829 Soluble
25 A D 0.0000 Buried
26 S D -2.3762 Soluble
27 Q D -3.2171 Soluble
28 D D -3.1640 Soluble
29 I D 0.0000 Buried
36 R D -2.1344 Soluble
37 Y D -0.2459 Soluble
38 Y D 0.6034 Aggregation-prone
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -2.2061 Soluble
46 P D -1.7483 Soluble
47 G D -1.9528 Soluble
48 K D -2.7687 Soluble
49 A D -1.8206 Soluble
50 P D 0.0000 Buried
51 K D -1.7572 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5400 Aggregation-prone
56 V D 0.6860 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.0194 Soluble
66 S D 0.1262 Aggregation-prone
67 L D 0.1852 Aggregation-prone
68 Q D -0.5260 Soluble
69 S D -0.5196 Soluble
70 G D -0.5771 Soluble
71 V D -0.4240 Soluble
72 P D -0.3731 Soluble
74 S D -0.4477 Soluble
75 R D -0.7210 Soluble
76 F D 0.0000 Buried
77 S D -0.3613 Soluble
78 G D -0.2889 Soluble
79 S D -0.6861 Soluble
80 G D -1.1980 Soluble
83 S D -1.7416 Soluble
84 G D -2.5056 Soluble
85 T D -2.7416 Soluble
86 E D -3.0142 Soluble
87 F D 0.0000 Buried
88 T D -0.8829 Soluble
89 L D 0.0000 Buried
90 T D -0.6301 Soluble
91 V D 0.0000 Buried
92 S D -1.3307 Soluble
93 S D -1.1153 Soluble
94 L D 0.0000 Buried
95 Q D -0.8045 Soluble
96 P D -1.5425 Soluble
97 E D -1.7602 Soluble
98 D D 0.0000 Buried
99 F D -1.2442 Soluble
100 A D 0.0000 Buried
101 T D -1.1910 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 L D 0.0000 Buried
106 Q D 0.0000 Buried
107 V D 0.9077 Aggregation-prone
108 Y D 1.0141 Aggregation-prone
109 S D 0.2576 Aggregation-prone
114 T D -0.0597 Soluble
115 P D -0.6955 Soluble
116 R D 0.0000 Buried
117 T D -0.6900 Soluble
118 F D -0.5536 Soluble
119 G D 0.0000 Buried
120 Q D -1.5606 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.8636 Soluble
124 V D 0.0000 Buried
125 E D -1.2847 Soluble
126 I D 0.0000 Buried
127 K D -1.5414 Soluble
128 R D -1.0848 Soluble
129 T D -0.2417 Soluble
130 V D 0.1798 Aggregation-prone
131 A D 0.0353 Aggregation-prone
132 A D -0.1639 Soluble
133 P D -0.2230 Soluble
134 S D -0.1717 Soluble
135 V D 0.0000 Buried
136 F D 0.0203 Aggregation-prone
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.6770 Soluble
140 P D -0.7239 Soluble
141 S D 0.0000 Buried
142 D D -2.5677 Soluble
143 E D -2.3777 Soluble
144 Q D 0.0000 Buried
145 L D -1.9394 Soluble
146 K D -2.5841 Soluble
147 S D -1.6282 Soluble
148 G D -1.2541 Soluble
149 T D -0.9650 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -1.1779 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.8841 Soluble
162 R D -3.0874 Soluble
163 E D -3.2643 Soluble
164 A D -2.4000 Soluble
165 K D -2.5033 Soluble
166 V D -1.3476 Soluble
167 Q D -0.6828 Soluble
168 W D 0.0000 Buried
169 K D -0.4389 Soluble
170 V D 0.0000 Buried
171 D D -1.9007 Soluble
172 N D -1.3186 Soluble
173 A D -0.2823 Soluble
174 L D 0.6795 Aggregation-prone
175 Q D -0.1444 Soluble
176 S D -0.3962 Soluble
177 G D -0.8466 Soluble
178 N D -0.7049 Soluble
179 S D -1.1398 Soluble
180 Q D -1.4053 Soluble
181 E D -1.9243 Soluble
182 S D -0.7448 Soluble
183 V D -0.5054 Soluble
184 T D -0.8336 Soluble
185 E D -1.7641 Soluble
186 Q D 0.0000 Buried
187 D D -2.1530 Soluble
188 S D -2.3116 Soluble
189 K D -2.7176 Soluble
190 D D -2.3095 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6880 Soluble
199 L D 0.0000 Buried
200 T D -0.4100 Soluble
201 L D -0.6540 Soluble
202 S D -1.1306 Soluble
203 K D -2.2561 Soluble
204 A D -1.8306 Soluble
205 D D -2.5616 Soluble
206 Y D 0.0000 Buried
207 E D -3.4000 Soluble
208 K D -3.6030 Soluble
209 H D -3.0275 Soluble
210 K D -2.8506 Soluble
211 V D -1.1812 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.9400 Soluble
216 V D 0.0000 Buried
217 T D -1.2695 Soluble
218 H D 0.0000 Buried
219 Q D -1.7456 Soluble
220 G D -0.4260 Soluble
221 L D -0.2031 Soluble
222 S D -0.4609 Soluble
223 S D -0.4411 Soluble
224 P D -0.6416 Soluble
225 V D -0.1197 Soluble
226 T D -0.5739 Soluble
227 K D -0.8306 Soluble
228 S D -0.4761 Soluble
229 F D -0.9575 Soluble
230 N D -1.8665 Soluble
231 R D -2.4993 Soluble
232 G D -2.1553 Soluble
233 E D -2.5827 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 -0.8059 2.0357 CSV PDB
4.5 -0.8495 2.0357 CSV PDB
5.0 -0.9017 2.0357 CSV PDB
5.5 -0.9509 2.0357 CSV PDB
6.0 -0.9851 2.0357 CSV PDB
6.5 -0.9946 2.0357 CSV PDB
7.0 -0.9792 2.0357 CSV PDB
7.5 -0.9472 2.0357 CSV PDB
8.0 -0.9064 2.0357 CSV PDB
8.5 -0.8596 2.0357 CSV PDB
9.0 -0.8069 2.0357 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH