Certolizumab / 5wuv

A4DAB062_5wuv_H_L | Source PDB: 5wuv | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6567
Max Score
2.17
Min Score
-3.4915
Total Score
-284.33
Score CDR
0.0057
Score non-CDR
-0.7335

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYVFTDYGMNWVRQAPGKGLEWMGWINTYIGEPIYADSVKGRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCARGYRSYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCKASQNVGTNVAWYQQKPGKAPKALIYSASFLYSGVPYRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4915
Maximum Score 2.17
Average Score -0.6567
Total Score -284.3304

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

Index Residue Chain A4D Score Classification
1 E H -2.1401 Soluble
2 V H -1.0935 Soluble
3 Q H -1.4235 Soluble
4 L H 0.0000 Buried
5 V H 0.3297 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5092 Soluble
8 G H -0.9002 Soluble
9 G H -0.4771 Soluble
11 G H -0.2560 Soluble
12 L H -0.1042 Soluble
13 V H 0.0000 Buried
14 Q H -1.7551 Soluble
15 P H -1.9210 Soluble
16 G H -1.4935 Soluble
17 G H -1.1427 Soluble
18 S H -1.2415 Soluble
19 L H -1.1253 Soluble
20 R H -2.0511 Soluble
21 L H 0.0000 Buried
22 S H -0.4500 Soluble
23 C H 0.0000 Buried
24 A H -0.2514 Soluble
25 A H -0.1793 Soluble
26 S H -0.6205 Soluble
27 G H -0.8864 Soluble
28 Y H 0.1100 Aggregation-prone
29 V H 1.2518 Aggregation-prone
30 F H 0.0000 Buried
35 T H 0.4158 Aggregation-prone
36 D H -0.6947 Soluble
37 Y H 0.0676 Aggregation-prone
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 -0.6574 Soluble
44 Q H -0.9478 Soluble
45 A H -1.2392 Soluble
46 P H -0.9881 Soluble
47 G H -1.4762 Soluble
48 K H -2.4217 Soluble
49 G H -1.6931 Soluble
50 L H 0.0000 Buried
51 E H -1.3352 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 -0.0955 Soluble
58 T H 0.0000 Buried
59 Y H 1.6458 Aggregation-prone
62 I H 2.0964 Aggregation-prone
63 G H 0.3667 Aggregation-prone
64 E H -0.7877 Soluble
65 P H -0.4817 Soluble
66 I H -0.6013 Soluble
67 Y H -0.7685 Soluble
68 A H 0.0000 Buried
69 D H -2.4527 Soluble
70 S H -1.7468 Soluble
71 V H 0.0000 Buried
72 K H -2.6340 Soluble
74 G H -1.8143 Soluble
75 R H -1.4249 Soluble
76 F H 0.0000 Buried
77 T H -0.8764 Soluble
78 F H 0.0000 Buried
79 S H -0.5999 Soluble
80 L H -0.1385 Soluble
81 D H -1.1019 Soluble
82 T H -0.5812 Soluble
83 S H -1.2274 Soluble
84 K H -1.9962 Soluble
85 S H -0.7887 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4517 Soluble
89 L H 0.0000 Buried
90 Q H -1.2569 Soluble
91 M H 0.0000 Buried
92 N H -1.2438 Soluble
93 S H -1.1740 Soluble
94 L H 0.0000 Buried
95 R H -2.8047 Soluble
96 A H -1.9690 Soluble
97 E H -2.3909 Soluble
98 D H 0.0000 Buried
99 T H -0.8337 Soluble
100 A H 0.0000 Buried
101 V H 0.1570 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 0.6975 Aggregation-prone
109 R H -0.1696 Soluble
110 S H 0.5503 Aggregation-prone
113 Y H 1.3040 Aggregation-prone
114 A H 0.6155 Aggregation-prone
115 M H 0.0000 Buried
116 D H 0.1561 Aggregation-prone
117 Y H -0.1168 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.4701 Soluble
121 G H 0.0000 Buried
122 T H -0.0956 Soluble
123 L H 0.0656 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5292 Soluble
126 V H 0.0000 Buried
127 S H -0.9054 Soluble
128 S H -0.7469 Soluble
129 A H -0.5147 Soluble
130 S H -0.6587 Soluble
131 T H -1.0449 Soluble
132 K H -1.5183 Soluble
133 G H -1.5793 Soluble
134 P H 0.0000 Buried
135 S H -0.5030 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3196 Soluble
139 L H 0.0000 Buried
140 A H -1.2260 Soluble
141 P H 0.0000 Buried
142 S H -1.2503 Soluble
143 S H -1.4716 Soluble
144 K H -1.9309 Soluble
145 S H -1.1781 Soluble
146 T H -0.9439 Soluble
147 S H -0.8762 Soluble
148 G H -0.7916 Soluble
149 G H -0.6074 Soluble
150 T H -0.4372 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.6366 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3734 Soluble
164 P H -0.6403 Soluble
165 V H -0.6804 Soluble
166 T H -0.6102 Soluble
167 V H -0.3745 Soluble
168 S H -0.4153 Soluble
169 W H 0.0000 Buried
170 N H -0.7798 Soluble
171 S H -0.6772 Soluble
172 G H -0.5316 Soluble
173 A H -0.2551 Soluble
174 L H -0.0421 Soluble
175 T H -0.2032 Soluble
176 S H -0.2141 Soluble
177 G H -0.2763 Soluble
178 V H 0.1491 Aggregation-prone
179 H H -0.3284 Soluble
180 T H 0.0244 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3940 Soluble
183 A H 0.2506 Aggregation-prone
184 V H 0.5631 Aggregation-prone
185 L H 1.1254 Aggregation-prone
186 Q H 0.2411 Aggregation-prone
187 S H -0.1292 Soluble
188 S H -0.2732 Soluble
189 G H -0.0452 Soluble
190 L H 0.0112 Aggregation-prone
191 Y H 0.3681 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1383 Soluble
199 V H 0.0000 Buried
200 P H -0.5912 Soluble
201 S H -0.7566 Soluble
202 S H -0.6700 Soluble
203 S H -0.5870 Soluble
204 L H -0.8078 Soluble
205 G H -1.2837 Soluble
206 T H -0.8861 Soluble
207 Q H -1.1794 Soluble
208 T H -1.1233 Soluble
209 Y H 0.0000 Buried
210 I H -1.3640 Soluble
211 C H 0.0000 Buried
212 N H -1.5085 Soluble
213 V H 0.0000 Buried
214 N H -2.1647 Soluble
215 H H 0.0000 Buried
216 K H -2.7924 Soluble
217 P H -1.6342 Soluble
218 S H -1.9031 Soluble
219 N H -2.6347 Soluble
220 T H -2.1899 Soluble
221 K H -2.7827 Soluble
222 V H -1.7926 Soluble
223 D H -2.5701 Soluble
224 K H -2.2154 Soluble
225 K H -2.5628 Soluble
226 V H 0.0000 Buried
227 E H -2.9295 Soluble
228 P H -2.0098 Soluble
229 K H -2.6200 Soluble
230 S H -1.3259 Soluble
1 D L -1.9653 Soluble
2 I L 0.0000 Buried
3 Q L -2.2870 Soluble
4 M L 0.0000 Buried
5 T L -1.4501 Soluble
6 Q L 0.0000 Buried
7 S L -0.7957 Soluble
8 P L -0.4832 Soluble
9 S L -0.8080 Soluble
10 S L -0.7476 Soluble
11 L L -0.4794 Soluble
12 S L -0.8399 Soluble
13 A L 0.0000 Buried
14 S L -0.9593 Soluble
15 V L -0.2418 Soluble
16 G L -0.9424 Soluble
17 D L -1.9126 Soluble
18 R L -2.3758 Soluble
19 V L 0.0000 Buried
20 T L -0.5850 Soluble
21 I L 0.0000 Buried
22 T L -0.9207 Soluble
23 C L 0.0000 Buried
24 K L -2.9906 Soluble
25 A L 0.0000 Buried
26 S L -2.3162 Soluble
27 Q L -2.8979 Soluble
28 N L -2.6402 Soluble
29 V L 0.0000 Buried
36 G L -1.4316 Soluble
37 T L -0.9764 Soluble
38 N L -0.3701 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 -1.3697 Soluble
45 K L -1.9524 Soluble
46 P L -1.5357 Soluble
47 G L -1.8199 Soluble
48 K L -2.6170 Soluble
49 A L -1.6562 Soluble
50 P L 0.0000 Buried
51 K L -1.4324 Soluble
52 A L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.3113 Aggregation-prone
56 S L 0.5548 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.8186 Aggregation-prone
66 F L 2.1700 Aggregation-prone
67 L L 1.5466 Aggregation-prone
68 Y L 0.5665 Aggregation-prone
69 S L 0.1595 Aggregation-prone
70 G L -0.2208 Soluble
71 V L 0.1153 Aggregation-prone
72 P L 0.4498 Aggregation-prone
74 Y L 1.0644 Aggregation-prone
75 R L -0.0743 Soluble
76 F L 0.0000 Buried
77 S L 0.3471 Aggregation-prone
78 G L 0.1907 Aggregation-prone
79 S L -0.4572 Soluble
80 G L -1.2115 Soluble
83 S L -1.4522 Soluble
84 G L -1.8699 Soluble
85 T L -2.4038 Soluble
86 D L -2.9397 Soluble
87 F L 0.0000 Buried
88 T L -0.8590 Soluble
89 L L 0.0000 Buried
90 T L -0.6105 Soluble
91 I L 0.0000 Buried
92 S L -1.2326 Soluble
93 S L -1.1295 Soluble
94 L L 0.0000 Buried
95 Q L -0.9198 Soluble
96 P L -1.5771 Soluble
97 E L -1.8368 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.9271 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 Y L 0.0000 Buried
108 N L -0.0864 Soluble
109 I L 1.4101 Aggregation-prone
114 Y L 0.6796 Aggregation-prone
115 P L -0.2386 Soluble
116 L L 0.0000 Buried
117 T L -0.6088 Soluble
118 F L -0.4935 Soluble
119 G L 0.0000 Buried
120 Q L -1.6602 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.5875 Soluble
124 V L 0.0000 Buried
125 E L -1.2477 Soluble
126 I L 0.0000 Buried
127 K L -1.3619 Soluble
128 R L -0.9957 Soluble
129 T L -0.1854 Soluble
130 V L 0.2081 Aggregation-prone
131 A L -0.1386 Soluble
132 A L -0.1652 Soluble
133 P L 0.0000 Buried
134 S L -0.1822 Soluble
135 V L 0.0000 Buried
136 F L 0.1696 Aggregation-prone
137 I L 0.1551 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4496 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -3.0606 Soluble
143 E L -2.8663 Soluble
144 Q L 0.0000 Buried
145 L L -2.2856 Soluble
146 K L -2.8343 Soluble
147 S L -1.7602 Soluble
148 G L -1.4111 Soluble
149 T L -1.2281 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 -1.0362 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8455 Soluble
162 R L -3.1540 Soluble
163 E L -3.2759 Soluble
164 A L -2.4244 Soluble
165 K L -2.5794 Soluble
166 V L 0.0000 Buried
167 Q L -0.8359 Soluble
168 W L 0.0000 Buried
169 K L -0.7769 Soluble
170 V L 0.0000 Buried
171 D L -2.0451 Soluble
172 N L -1.6463 Soluble
173 A L -0.3420 Soluble
174 L L 0.6517 Aggregation-prone
175 Q L -0.1569 Soluble
176 S L -0.4052 Soluble
177 G L -0.9249 Soluble
178 N L -0.8960 Soluble
179 S L -1.1158 Soluble
180 Q L -1.2697 Soluble
181 E L -1.7372 Soluble
182 S L -0.9247 Soluble
183 V L -0.8449 Soluble
184 T L -1.2038 Soluble
185 E L -2.3175 Soluble
186 Q L 0.0000 Buried
187 D L -2.1331 Soluble
188 S L -2.2709 Soluble
189 K L -2.6457 Soluble
190 D L -2.0695 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 -0.6135 Soluble
199 L L 0.0000 Buried
200 T L -0.4360 Soluble
201 L L -0.6435 Soluble
202 S L -1.0354 Soluble
203 K L -2.0231 Soluble
204 A L -1.7799 Soluble
205 D L -2.4794 Soluble
206 Y L 0.0000 Buried
207 E L -3.2022 Soluble
208 K L -3.4915 Soluble
209 H L -3.0220 Soluble
210 K L -3.1200 Soluble
211 V L -1.2607 Soluble
212 Y L 0.0000 Buried
213 A L -0.8021 Soluble
214 C L 0.0000 Buried
215 E L -1.1098 Soluble
216 V L 0.0000 Buried
217 T L -1.3062 Soluble
218 H L 0.0000 Buried
219 Q L -1.7693 Soluble
220 G L -0.4504 Soluble
221 L L -0.2429 Soluble
222 S L -0.4583 Soluble
223 S L -0.4223 Soluble
224 P L -0.6827 Soluble
225 V L -0.1195 Soluble
226 T L -0.4838 Soluble
227 K L -0.6054 Soluble
228 S L -0.4297 Soluble
229 F L -0.8471 Soluble
230 N L -1.7965 Soluble
231 R L -2.4608 Soluble
232 G L -2.1307 Soluble
233 E L -2.4841 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 -0.6966 3.9113 CSV PDB
4.5 -0.7383 3.9113 CSV PDB
5.0 -0.7874 3.9113 CSV PDB
5.5 -0.8335 3.9113 CSV PDB
6.0 -0.8647 3.9113 CSV PDB
6.5 -0.8719 3.9113 CSV PDB
7.0 -0.8546 3.9113 CSV PDB
7.5 -0.8211 3.9112 CSV PDB
8.0 -0.7789 3.9111 CSV PDB
8.5 -0.7306 3.9108 CSV PDB
9.0 -0.676 3.9097 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH