Lumiliximab / 3fzu

A4DAB161_3fzu_H_L | Source PDB: 3fzu | Chains: H, L | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7768
Max Score
1.4671
Min Score
-3.5329
Total Score
-334.04
Score CDR
-0.6457
Score non-CDR
-0.7922

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLAKPGGSLRLSCAASGFRFTFNNYYMDWVRQAPGQGLEWVSRISSSGDPTWYADSVKGRFTISRENAKNTLFLQMNSLRAEDTAVYYCASLTTGSDSWGQGVLVTVSSASTKGPSVFPLAPSSKSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQDIRYYLNWYQQKPGKAPKLLIYVASSLQSGVPSRFSGSGSGTEFTLTVSSLQPEDFATYYCLQVYSTPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5329
Maximum Score 1.4671
Average Score -0.7768
Total Score -334.0354

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

Index Residue Chain A4D Score Classification
1 E H -2.6063 Soluble
2 V H 0.0000 Buried
3 Q H -1.5947 Soluble
4 L H 0.0000 Buried
5 V H 1.2076 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2004 Soluble
8 G H -1.0071 Soluble
9 G H -0.9014 Soluble
11 G H -0.3789 Soluble
12 L H -0.3070 Soluble
13 A H 0.0000 Buried
14 K H -2.1942 Soluble
15 P H -2.0320 Soluble
16 G H -1.6210 Soluble
17 G H -1.3401 Soluble
18 S H -1.4469 Soluble
19 L H -1.3704 Soluble
20 R H -2.1900 Soluble
21 L H 0.0000 Buried
22 S H -0.2840 Soluble
23 C H 0.0000 Buried
24 A H -0.0899 Soluble
25 A H 0.0000 Buried
26 S H -1.0921 Soluble
27 G H -1.4983 Soluble
28 F H -1.2192 Soluble
29 R H -1.3706 Soluble
30 F H 0.5765 Aggregation-prone
31 T H -0.2896 Soluble
34 F H 0.0000 Buried
35 N H -1.5307 Soluble
36 N H -1.3623 Soluble
37 Y H 0.0000 Buried
38 Y H -0.1657 Soluble
39 M H 0.0000 Buried
40 D 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 -0.6582 Soluble
45 A H -0.9998 Soluble
46 P H -0.8412 Soluble
47 G H -1.2357 Soluble
48 Q H -1.8828 Soluble
49 G H -1.4014 Soluble
50 L H 0.0000 Buried
51 E H -1.2313 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 R H -0.3167 Soluble
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 S H -1.1971 Soluble
59 S H -1.3824 Soluble
62 G H -1.4507 Soluble
63 D H -2.0085 Soluble
64 P H -1.3016 Soluble
65 T H -0.5950 Soluble
66 W H -0.4683 Soluble
67 Y H -0.8623 Soluble
68 A H -1.4946 Soluble
69 D H -2.4460 Soluble
70 S H -1.8557 Soluble
71 V H 0.0000 Buried
72 K H -2.5562 Soluble
74 G H -1.7800 Soluble
75 R H -1.5123 Soluble
76 F H 0.0000 Buried
77 T H -0.8502 Soluble
78 I H 0.0000 Buried
79 S H -0.5896 Soluble
80 R H 0.0000 Buried
81 E H -1.7348 Soluble
82 N H -1.9160 Soluble
83 A H -1.4248 Soluble
84 K H -2.3555 Soluble
85 N H -1.8225 Soluble
86 T H -0.9753 Soluble
87 L H 0.0000 Buried
88 F H -0.4002 Soluble
89 L H 0.0000 Buried
90 Q H -1.3108 Soluble
91 M H 0.0000 Buried
92 N H -1.5762 Soluble
93 S H -1.4436 Soluble
94 L H 0.0000 Buried
95 R H -2.5033 Soluble
96 A H -1.8082 Soluble
97 E H -2.2504 Soluble
98 D H 0.0000 Buried
99 T H -0.7074 Soluble
100 A H 0.0000 Buried
101 V H 0.4151 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 S H 0.0000 Buried
107 L H 0.0000 Buried
108 T H -0.2492 Soluble
109 T H -0.1983 Soluble
114 G H -0.9588 Soluble
115 S H -1.2414 Soluble
116 D H -1.1354 Soluble
117 S H -1.2679 Soluble
118 W H -0.7562 Soluble
119 G H 0.0000 Buried
120 Q H -1.2659 Soluble
121 G H -0.3549 Soluble
122 V H 0.2797 Aggregation-prone
123 L H 0.3662 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2267 Soluble
128 S H -0.8697 Soluble
129 A H -0.6004 Soluble
130 S H -0.7335 Soluble
131 T H -0.9172 Soluble
132 K H -1.5888 Soluble
133 G H -1.6133 Soluble
134 P H -0.7970 Soluble
135 S H -0.3920 Soluble
136 V H 0.0000 Buried
137 F H -0.5222 Soluble
138 P H -0.8584 Soluble
139 L H 0.0000 Buried
140 A H -1.2211 Soluble
141 P H 0.0000 Buried
142 S H -1.1423 Soluble
143 S H -0.7503 Soluble
144 K H 0.0000 Buried
145 S H -0.5726 Soluble
146 G H -0.8448 Soluble
147 G H -0.8630 Soluble
148 T H -0.6425 Soluble
149 A H 0.0000 Buried
150 A H 0.0000 Buried
151 L H 0.0000 Buried
152 G H 0.0000 Buried
153 C H 0.0000 Buried
154 L H 0.0000 Buried
155 V H 0.0000 Buried
156 K H 0.0000 Buried
157 D H -0.5075 Soluble
158 Y H 0.0000 Buried
159 F H 0.0000 Buried
160 P H 0.0000 Buried
161 E H -0.7756 Soluble
162 P H -0.8947 Soluble
163 V H -0.9565 Soluble
164 T H -0.7996 Soluble
165 V H -0.4451 Soluble
166 S H -0.3996 Soluble
167 W H 0.0000 Buried
168 N H -0.6261 Soluble
169 S H -0.5846 Soluble
170 G H -0.6108 Soluble
171 A H -0.2700 Soluble
172 L H -0.0020 Soluble
173 T H -0.1922 Soluble
174 S H -0.2180 Soluble
175 G H -0.1428 Soluble
176 V H 0.1543 Aggregation-prone
177 H H -0.3230 Soluble
178 T H 0.0083 Aggregation-prone
179 F H 0.0000 Buried
180 P H -0.3453 Soluble
181 A H 0.3649 Aggregation-prone
182 V H 0.7941 Aggregation-prone
183 L H 1.4671 Aggregation-prone
184 Q H 0.2876 Aggregation-prone
185 S H -0.1595 Soluble
186 S H -0.2088 Soluble
187 G H 0.0435 Aggregation-prone
188 L H 0.0685 Aggregation-prone
189 Y H 0.4487 Aggregation-prone
190 S H 0.0000 Buried
191 L H 0.2477 Aggregation-prone
192 S H 0.0000 Buried
193 S H 0.0000 Buried
194 V H 0.0000 Buried
195 V H 0.0000 Buried
196 T H -0.1475 Soluble
197 V H 0.0000 Buried
198 P H -0.5088 Soluble
199 S H -0.6061 Soluble
200 S H -0.5992 Soluble
201 S H -0.5972 Soluble
202 L H -0.8021 Soluble
203 G H -0.9645 Soluble
204 T H -0.7669 Soluble
205 Q H -1.2072 Soluble
206 T H -1.0027 Soluble
207 Y H 0.0000 Buried
208 I H -0.7389 Soluble
209 C H 0.0000 Buried
210 N H -1.2474 Soluble
211 V H 0.0000 Buried
212 N H -2.3823 Soluble
213 H H 0.0000 Buried
214 K H -2.9051 Soluble
215 P H -1.8141 Soluble
216 S H -2.0213 Soluble
217 N H -2.6907 Soluble
218 T H -2.2625 Soluble
219 K H -2.6914 Soluble
220 V H -1.1154 Soluble
221 D H -1.7219 Soluble
222 K H -1.4733 Soluble
223 K H -1.8849 Soluble
224 V H 0.0000 Buried
225 E H -2.6600 Soluble
226 P H -1.9113 Soluble
227 K H -2.4433 Soluble
1 D L -2.3816 Soluble
2 I L 0.0000 Buried
3 Q L -2.2714 Soluble
4 M L -1.9093 Soluble
5 T L -1.5358 Soluble
6 Q L -1.0553 Soluble
7 S L -0.9532 Soluble
8 P L -0.7414 Soluble
9 S L -1.0713 Soluble
10 S L -1.0335 Soluble
11 L L -0.6515 Soluble
12 S L -0.7659 Soluble
13 A L -0.9511 Soluble
14 S L -0.9507 Soluble
15 V L -0.4070 Soluble
16 G L -0.9413 Soluble
17 D L -2.0144 Soluble
18 R L -2.3911 Soluble
19 V L 0.0000 Buried
20 T L -0.6477 Soluble
21 I L 0.0000 Buried
22 T L -0.9495 Soluble
23 C L 0.0000 Buried
24 R L -3.0654 Soluble
25 A L 0.0000 Buried
26 S L -2.4456 Soluble
27 Q L -3.2153 Soluble
28 D L -3.2304 Soluble
29 I L 0.0000 Buried
36 R L -2.1137 Soluble
37 Y L -0.0780 Soluble
38 Y L 0.6108 Aggregation-prone
39 L L 0.0000 Buried
40 N 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 -1.5551 Soluble
45 K L -2.0157 Soluble
46 P L -1.4487 Soluble
47 G L -1.8171 Soluble
48 K L -2.5932 Soluble
49 A L -1.8299 Soluble
50 P L 0.0000 Buried
51 K L -2.0999 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.4675 Aggregation-prone
56 V L 0.5956 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.0466 Soluble
66 S L 0.0336 Aggregation-prone
67 L L 0.2385 Aggregation-prone
68 Q L -0.5091 Soluble
69 S L -0.4194 Soluble
70 G L -0.5132 Soluble
71 V L -0.3934 Soluble
72 P L -0.3437 Soluble
74 S L -0.4320 Soluble
75 R L -0.7513 Soluble
76 F L 0.0000 Buried
77 S L -0.3323 Soluble
78 G L -0.3009 Soluble
79 S L -0.6664 Soluble
80 G L -1.2052 Soluble
83 S L -1.6299 Soluble
84 G L -2.4059 Soluble
85 T L -2.7679 Soluble
86 E L -3.0345 Soluble
87 F L 0.0000 Buried
88 T L -0.9445 Soluble
89 L L 0.0000 Buried
90 T L -0.6005 Soluble
91 V L 0.0000 Buried
92 S L -1.3086 Soluble
93 S L -1.2291 Soluble
94 L L 0.0000 Buried
95 Q L -1.1839 Soluble
96 P L -2.1820 Soluble
97 E L -2.7330 Soluble
98 D L 0.0000 Buried
99 F L -1.3082 Soluble
100 A L 0.0000 Buried
101 T L -1.1112 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 L L 0.0000 Buried
106 Q L 0.0000 Buried
107 V L 0.6589 Aggregation-prone
108 Y L 0.4397 Aggregation-prone
109 S L 0.0002 Aggregation-prone
114 T L -0.3501 Soluble
115 P L -0.8551 Soluble
116 R L -0.6799 Soluble
117 T L -0.9464 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7675 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9725 Soluble
124 V L 0.0000 Buried
125 E L -1.2199 Soluble
126 I L 0.0000 Buried
127 K L -1.2020 Soluble
128 R L -0.8896 Soluble
129 T L -0.0730 Soluble
130 V L 0.3696 Aggregation-prone
131 A L 0.0502 Aggregation-prone
132 A L -0.1813 Soluble
133 P L 0.0000 Buried
134 S L -0.2743 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7989 Soluble
140 P L -0.6790 Soluble
141 S L -1.4407 Soluble
142 D L -2.7767 Soluble
143 E L -2.5433 Soluble
144 Q L 0.0000 Buried
145 L L -1.8983 Soluble
146 K L -2.7332 Soluble
147 S L -1.6574 Soluble
148 G L -1.3508 Soluble
149 T L -0.8570 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 -1.3040 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4010 Soluble
162 R L -2.2117 Soluble
163 E L -2.8269 Soluble
164 A L -2.1504 Soluble
165 K L -2.2477 Soluble
166 V L -1.2148 Soluble
167 Q L -0.6365 Soluble
168 W L 0.0000 Buried
169 K L -0.5781 Soluble
170 V L 0.0000 Buried
171 D L -1.7606 Soluble
172 N L -1.4592 Soluble
173 A L -0.3155 Soluble
174 L L 0.4628 Aggregation-prone
175 Q L -0.4449 Soluble
176 S L -0.7569 Soluble
177 G L -1.3216 Soluble
178 N L -1.7272 Soluble
179 S L -1.3537 Soluble
180 Q L -1.0523 Soluble
181 E L -1.0743 Soluble
182 S L -0.3099 Soluble
183 V L -0.2439 Soluble
184 T L -0.8489 Soluble
185 E L -1.8493 Soluble
186 Q L 0.0000 Buried
187 D L -2.8137 Soluble
188 S L -2.9010 Soluble
189 K L -3.4162 Soluble
190 D L -3.3214 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 -0.5841 Soluble
199 L L 0.0000 Buried
200 T L -0.6158 Soluble
201 L L -0.7745 Soluble
202 S L -1.0478 Soluble
203 K L -2.0064 Soluble
204 A L -1.7574 Soluble
205 D L -2.6953 Soluble
206 Y L 0.0000 Buried
207 E L -3.3737 Soluble
208 K L -3.5329 Soluble
209 H L -3.1603 Soluble
210 K L -3.2344 Soluble
211 V L -1.9322 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6869 Soluble
216 V L 0.0000 Buried
217 T L -1.1866 Soluble
218 H L 0.0000 Buried
219 Q L -1.4772 Soluble
220 G L -0.4313 Soluble
221 L L -0.2291 Soluble
222 S L -0.4497 Soluble
223 S L -0.4037 Soluble
224 P L -0.5749 Soluble
225 V L 0.0302 Aggregation-prone
226 T L -0.5164 Soluble
227 K L -0.8789 Soluble
228 S L -0.7911 Soluble
229 F L -1.3512 Soluble
230 N L -2.6028 Soluble
231 R L -2.8694 Soluble
232 G L -2.2516 Soluble
233 E L -2.6841 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
Load structure at specific pH condition
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 -0.7927 2.0694 CSV PDB
4.5 -0.8386 2.0694 CSV PDB
5.0 -0.8922 2.0694 CSV PDB
5.5 -0.942 2.0694 CSV PDB
6.0 -0.976 2.0694 CSV PDB
6.5 -0.986 2.0694 CSV PDB
7.0 -0.9724 2.0694 CSV PDB
7.5 -0.9436 2.0694 CSV PDB
8.0 -0.9067 2.0694 CSV PDB
8.5 -0.8641 2.0694 CSV PDB
9.0 -0.8153 2.0694 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH