Certolizumab / 5wux

A4DAB062_5wux_H_L | Source PDB: 5wux | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6496
Max Score
2.1359
Min Score
-3.573
Total Score
-276.09
Score CDR
-0.107
Score non-CDR
-0.7139

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYVFTDYGMNWVRQAPGKGLEWMGWINTYIGEPIYADSVKGRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCARGYRSYAMDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCKASQNVGTNVAWYQQKPGKAPKALIYSASFLYSGVPYRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.573
Maximum Score 2.1359
Average Score -0.6496
Total Score -276.0905

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

Index Residue Chain A4D Score Classification
1 E H -2.0880 Soluble
2 V H -1.1121 Soluble
3 Q H -1.1759 Soluble
4 L H 0.0000 Buried
5 V H 0.6196 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4998 Soluble
8 G H -0.9659 Soluble
9 G H -0.6318 Soluble
11 G H -0.3474 Soluble
12 L H -0.1173 Soluble
13 V H 0.0000 Buried
14 Q H -1.7032 Soluble
15 P H -1.5375 Soluble
16 G H -1.4373 Soluble
17 G H -1.1071 Soluble
18 S H -1.2159 Soluble
19 L H -1.1766 Soluble
20 R H -2.2233 Soluble
21 L H 0.0000 Buried
22 S H -0.5156 Soluble
23 C H 0.0000 Buried
24 A H -0.1174 Soluble
25 A H -0.1262 Soluble
26 S H -0.6670 Soluble
27 G H -0.7192 Soluble
28 Y H 0.2528 Aggregation-prone
29 V H 1.1939 Aggregation-prone
30 F H 0.0000 Buried
35 T H 0.5058 Aggregation-prone
36 D H -0.6620 Soluble
37 Y H -0.0577 Soluble
38 G 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 -0.6923 Soluble
44 Q H 0.0000 Buried
45 A H -1.2218 Soluble
46 P H -0.9907 Soluble
47 G H -1.4846 Soluble
48 K H -2.4154 Soluble
49 G H -1.7400 Soluble
50 L H 0.0000 Buried
51 E H -1.4751 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0000 Buried
56 I H 0.0000 Buried
57 N H -0.1916 Soluble
58 T H 0.0000 Buried
59 Y H 1.5942 Aggregation-prone
62 I H 2.0400 Aggregation-prone
63 G H 0.2728 Aggregation-prone
64 E H -1.1414 Soluble
65 P H -0.7303 Soluble
66 I H -0.6480 Soluble
67 Y H -0.6899 Soluble
68 A H -1.4217 Soluble
69 D H -2.3506 Soluble
70 S H -1.6450 Soluble
71 V H 0.0000 Buried
72 K H -2.4681 Soluble
74 G H -1.7493 Soluble
75 R H -1.3238 Soluble
76 F H 0.0000 Buried
77 T H -0.9998 Soluble
78 F H 0.0000 Buried
79 S H -0.4934 Soluble
80 L H -0.0989 Soluble
81 D H -0.9171 Soluble
82 T H -0.4940 Soluble
83 S H -1.2056 Soluble
84 K H -1.9646 Soluble
85 S H -0.8072 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5244 Soluble
89 L H 0.0000 Buried
90 Q H -1.6075 Soluble
91 M H 0.0000 Buried
92 N H -1.3530 Soluble
93 S H -1.2186 Soluble
94 L H 0.0000 Buried
95 R H -2.1890 Soluble
96 A H -1.6956 Soluble
97 E H -2.1901 Soluble
98 D H 0.0000 Buried
99 T H -0.7482 Soluble
100 A H 0.0000 Buried
101 V H 0.1144 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 0.0000 Buried
107 G H 0.0000 Buried
108 Y H -0.1311 Soluble
109 R H -1.0181 Soluble
110 S H -0.1227 Soluble
113 Y H 0.2003 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.1862 Soluble
117 Y H -0.2305 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1939 Soluble
121 G H -0.6189 Soluble
122 T H -0.1368 Soluble
123 L H 0.1309 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5121 Soluble
126 V H 0.0000 Buried
127 S H -1.0111 Soluble
128 S H -0.7821 Soluble
129 A H -0.6117 Soluble
130 S H -0.7717 Soluble
131 T H -0.9850 Soluble
132 K H -2.0507 Soluble
133 G H -2.0497 Soluble
134 P H 0.0000 Buried
135 S H -0.4420 Soluble
136 V H 0.0000 Buried
137 F H -0.5341 Soluble
138 P H -0.9771 Soluble
139 L H 0.0000 Buried
140 A H -1.1184 Soluble
141 P H -0.7516 Soluble
142 T H -0.2718 Soluble
143 A H -0.1593 Soluble
144 A H 0.0000 Buried
145 L H 0.0000 Buried
146 G H 0.0000 Buried
147 C H 0.0000 Buried
148 L H 0.0000 Buried
149 V H 0.0000 Buried
150 K H 0.0000 Buried
151 D H -0.9126 Soluble
152 Y H 0.0000 Buried
153 F H 0.0000 Buried
154 P H 0.0000 Buried
155 E H -0.4486 Soluble
156 P H -0.7410 Soluble
157 V H 0.0000 Buried
158 T H -0.6257 Soluble
159 V H -0.4495 Soluble
160 S H -0.4157 Soluble
161 W H 0.0000 Buried
162 N H -0.8189 Soluble
163 S H -0.6431 Soluble
164 G H -0.4838 Soluble
165 A H -0.1993 Soluble
166 L H -0.0046 Soluble
167 T H -0.1862 Soluble
168 S H -0.2610 Soluble
169 G H -0.3232 Soluble
170 V H 0.1200 Aggregation-prone
171 H H -0.2183 Soluble
172 T H -0.1054 Soluble
173 F H 0.0000 Buried
174 P H -0.2996 Soluble
175 A H 0.2197 Aggregation-prone
176 V H 0.5053 Aggregation-prone
177 L H 1.3161 Aggregation-prone
178 Q H 0.2183 Aggregation-prone
179 S H -0.1479 Soluble
180 S H -0.2537 Soluble
181 G H 0.0252 Aggregation-prone
182 L H 0.0539 Aggregation-prone
183 Y H 0.2813 Aggregation-prone
184 S H 0.0000 Buried
185 L H 0.0000 Buried
186 S H 0.0000 Buried
187 S H 0.0000 Buried
188 V H 0.0000 Buried
189 V H 0.0000 Buried
190 T H -0.1804 Soluble
191 V H 0.0000 Buried
192 P H -0.5384 Soluble
193 S H -0.4629 Soluble
194 S H -0.5603 Soluble
195 S H -0.6424 Soluble
196 L H -0.8305 Soluble
197 G H -1.0672 Soluble
198 T H -0.9868 Soluble
199 Q H -1.4615 Soluble
200 T H -1.2263 Soluble
201 Y H 0.0000 Buried
202 I H -1.5347 Soluble
203 C H 0.0000 Buried
204 N H -1.5422 Soluble
205 V H 0.0000 Buried
206 N H -1.9564 Soluble
207 H H 0.0000 Buried
208 K H -2.8706 Soluble
209 P H -1.7277 Soluble
210 S H -2.0946 Soluble
211 N H -2.7142 Soluble
212 T H -2.2384 Soluble
213 K H -2.7038 Soluble
214 V H -1.6825 Soluble
215 D H -2.6841 Soluble
216 K H -2.2591 Soluble
217 K H -2.7287 Soluble
218 V H 0.0000 Buried
219 E H -2.9358 Soluble
220 P H -1.9355 Soluble
221 K H -2.3356 Soluble
222 S H -1.3102 Soluble
1 D L -1.8245 Soluble
2 I L -1.4313 Soluble
3 Q L -2.1133 Soluble
4 M L 0.0000 Buried
5 T L -1.1825 Soluble
6 Q L 0.0000 Buried
7 S L -0.6370 Soluble
8 P L -0.6042 Soluble
9 S L -0.9756 Soluble
10 S L -1.0826 Soluble
11 L L -0.7396 Soluble
12 S L -0.9112 Soluble
13 A L -0.9833 Soluble
14 S L -0.8237 Soluble
15 V L -0.0934 Soluble
16 G L -0.8365 Soluble
17 D L -1.8640 Soluble
18 R L -2.3867 Soluble
19 V L 0.0000 Buried
20 T L -0.6326 Soluble
21 I L 0.0000 Buried
22 T L -0.7627 Soluble
23 C L 0.0000 Buried
24 K L -2.4648 Soluble
25 A L 0.0000 Buried
26 S L -2.0746 Soluble
27 Q L -2.6272 Soluble
28 N L -2.5134 Soluble
29 V L 0.0000 Buried
36 G L -1.3670 Soluble
37 T L -0.9925 Soluble
38 N L -0.6299 Soluble
39 V 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 -1.3668 Soluble
45 K L -1.7584 Soluble
46 P L -1.5793 Soluble
47 G L -1.8069 Soluble
48 K L -2.5115 Soluble
49 A L -1.6417 Soluble
50 P L 0.0000 Buried
51 K L -1.6926 Soluble
52 A L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.9258 Aggregation-prone
56 S L 0.4115 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.7054 Aggregation-prone
66 F L 2.1359 Aggregation-prone
67 L L 1.5991 Aggregation-prone
68 Y L 0.6480 Aggregation-prone
69 S L 0.0819 Aggregation-prone
70 G L -0.3012 Soluble
71 V L 0.0000 Buried
72 P L 0.3565 Aggregation-prone
74 Y L 1.0722 Aggregation-prone
75 R L -0.0826 Soluble
76 F L 0.0000 Buried
77 S L 0.3266 Aggregation-prone
78 G L 0.0000 Buried
79 S L -0.3824 Soluble
80 G L -1.1302 Soluble
83 S L -1.3573 Soluble
84 G L -1.6873 Soluble
85 T L -2.1367 Soluble
86 D L -2.4139 Soluble
87 F L 0.0000 Buried
88 T L -0.7146 Soluble
89 L L 0.0000 Buried
90 T L -0.6005 Soluble
91 I L 0.0000 Buried
92 S L -1.1781 Soluble
93 S L -1.0421 Soluble
94 L L 0.0000 Buried
95 Q L -1.0496 Soluble
96 P L -1.5758 Soluble
97 E L -1.8568 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L 0.0000 Buried
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 Y L 0.0000 Buried
108 N L 0.0910 Aggregation-prone
109 I L 1.4033 Aggregation-prone
114 Y L 0.6708 Aggregation-prone
115 P L -0.1470 Soluble
116 L L 0.0000 Buried
117 T L -0.6895 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6233 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.0828 Soluble
124 V L 0.0000 Buried
125 E L -1.3475 Soluble
126 I L 0.0000 Buried
127 K L -1.2206 Soluble
128 R L -0.8723 Soluble
129 T L -0.1296 Soluble
130 V L 0.3339 Aggregation-prone
131 A L 0.0355 Aggregation-prone
132 A L -0.1700 Soluble
133 P L 0.0000 Buried
134 S L -0.2572 Soluble
135 V L 0.0000 Buried
136 F L 0.1108 Aggregation-prone
137 I L 0.0871 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7692 Soluble
140 P L -0.6591 Soluble
141 S L -1.3894 Soluble
142 D L -2.6376 Soluble
143 E L -2.2195 Soluble
144 Q L 0.0000 Buried
145 L L -2.1000 Soluble
146 K L -2.6041 Soluble
147 S L -1.5892 Soluble
148 G L -1.4256 Soluble
149 T L -1.0531 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 -0.9159 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1768 Soluble
162 R L -1.8466 Soluble
163 E L -2.6011 Soluble
164 A L -2.0488 Soluble
165 K L -2.3835 Soluble
166 V L -1.3562 Soluble
167 Q L -0.5057 Soluble
168 W L 0.0000 Buried
169 K L -0.3884 Soluble
170 V L 0.0000 Buried
171 D L -1.4510 Soluble
172 N L -1.3383 Soluble
173 A L -0.1506 Soluble
174 L L 0.7839 Aggregation-prone
175 Q L -0.0368 Soluble
176 S L -0.4605 Soluble
177 G L -0.9180 Soluble
178 N L -0.8304 Soluble
179 S L -1.2197 Soluble
180 Q L -1.6098 Soluble
181 E L -2.2167 Soluble
182 S L -0.9759 Soluble
183 V L -0.6502 Soluble
184 T L -0.6954 Soluble
185 E L -1.5605 Soluble
186 Q L 0.0000 Buried
187 D L -2.1011 Soluble
188 S L -2.2078 Soluble
189 K L -2.7506 Soluble
190 D L -2.2748 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 -0.6853 Soluble
199 L L 0.0000 Buried
200 T L -0.4398 Soluble
201 L L -0.5871 Soluble
202 S L -1.1543 Soluble
203 K L -2.0467 Soluble
204 A L -1.8971 Soluble
205 D L -2.3928 Soluble
206 Y L 0.0000 Buried
207 E L -3.5730 Soluble
208 K L -3.5690 Soluble
209 H L -2.9424 Soluble
210 K L -3.1035 Soluble
211 V L -1.3471 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5812 Soluble
216 V L 0.0000 Buried
217 T L -1.1309 Soluble
218 H L 0.0000 Buried
219 Q L -1.3784 Soluble
220 G L -0.4236 Soluble
221 L L -0.2051 Soluble
222 S L -0.4156 Soluble
223 S L -0.3490 Soluble
224 P L -0.4090 Soluble
225 V L 0.1231 Aggregation-prone
226 T L -0.4124 Soluble
227 K L -0.7920 Soluble
228 S L -0.5928 Soluble
229 F L -1.0153 Soluble
230 N L -2.0309 Soluble
231 R L -2.7164 Soluble
232 G L -2.2882 Soluble
233 E L -2.5940 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 -0.6474 3.7384 CSV PDB
4.5 -0.6904 3.7384 CSV PDB
5.0 -0.7412 3.7384 CSV PDB
5.5 -0.7896 3.7384 CSV PDB
6.0 -0.8233 3.7384 CSV PDB
6.5 -0.8326 3.7384 CSV PDB
7.0 -0.8179 3.7384 CSV PDB
7.5 -0.7876 3.7384 CSV PDB
8.0 -0.7487 3.7383 CSV PDB
8.5 -0.7034 3.7381 CSV PDB
9.0 -0.652 3.7374 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH