Olokizumab / 4cni

A4DAB190_4cni_A_B | Source PDB: 4cni | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7635
Max Score
1.8478
Min Score
-3.3761
Total Score
-331.36
Score CDR
-0.5891
Score non-CDR
-0.7847

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNFNDYFMNWVRQAPGKGLEWVAQMRNKNYQYGTYYAESLEGRFTISRDDSKNSLYLQMNSLKTEDTAVYYCARESYYGFTSYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIQMTQSPSSLSASVGDRVTITCQASQDIGISLSWYQQKPGKAPKLLIYNANNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLQHNSAPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) A (Heavy), B (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 -3.3761
Maximum Score 1.8478
Average Score -0.7635
Total Score -331.3557

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

Index Residue Chain A4D Score Classification
1 E A -2.1827 Soluble
2 V A -1.4999 Soluble
3 Q A -1.3414 Soluble
4 L A 0.0000 Buried
5 V A 1.0356 Aggregation-prone
6 E A 0.2106 Aggregation-prone
7 S A -0.3926 Soluble
8 G A -0.9947 Soluble
9 G A -0.5951 Soluble
11 G A -0.0224 Soluble
12 L A 0.0119 Aggregation-prone
13 V A 0.0000 Buried
14 Q A -1.6522 Soluble
15 P A -1.7550 Soluble
16 G A -1.4505 Soluble
17 G A 0.0000 Buried
18 S A -1.3281 Soluble
19 L A -1.2802 Soluble
20 R A -2.2589 Soluble
21 L A 0.0000 Buried
22 S A -0.5037 Soluble
23 C A 0.0000 Buried
24 A A -0.1543 Soluble
25 A A 0.0000 Buried
26 S A -1.1097 Soluble
27 G A -1.5241 Soluble
28 F A -1.3744 Soluble
29 N A -1.9488 Soluble
30 F A 0.0000 Buried
35 N A -2.5204 Soluble
36 D A -2.5492 Soluble
37 Y A -0.9823 Soluble
38 F A -0.0360 Soluble
39 M A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7971 Soluble
45 A A -1.2095 Soluble
46 P A -0.9896 Soluble
47 G A -1.5227 Soluble
48 K A -2.3657 Soluble
49 G A -1.8374 Soluble
50 L A 0.0000 Buried
51 E A -1.0646 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 Q A 0.0000 Buried
56 M A 0.0000 Buried
57 R A -0.8471 Soluble
58 N A -1.8038 Soluble
59 K A -2.7765 Soluble
60 N A -2.3094 Soluble
61 Y A -0.8257 Soluble
62 Q A -1.6546 Soluble
63 Y A -0.8148 Soluble
64 G A -0.4113 Soluble
65 T A 0.2326 Aggregation-prone
66 Y A 0.3122 Aggregation-prone
67 Y A -0.5436 Soluble
68 A A -1.4564 Soluble
69 E A -2.7963 Soluble
70 S A -1.7915 Soluble
71 L A 0.0000 Buried
72 E A -2.7158 Soluble
74 G A -1.8171 Soluble
75 R A -1.5387 Soluble
76 F A 0.0000 Buried
77 T A -0.6031 Soluble
78 I A 0.0000 Buried
79 S A -0.3573 Soluble
80 R A -0.8717 Soluble
81 D A -1.4645 Soluble
82 D A -2.2206 Soluble
83 S A -1.5964 Soluble
84 K A -2.3876 Soluble
85 N A -2.0049 Soluble
86 S A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.7037 Soluble
89 L A 0.0000 Buried
90 Q A -1.5546 Soluble
91 M A 0.0000 Buried
92 N A -1.3751 Soluble
93 S A -1.1890 Soluble
94 L A 0.0000 Buried
95 K A -2.5069 Soluble
96 T A -1.9386 Soluble
97 E A -2.3354 Soluble
98 D A 0.0000 Buried
99 T A -0.7794 Soluble
100 A A 0.0000 Buried
101 V A 0.1498 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.1609 Aggregation-prone
107 E A 0.0000 Buried
108 S A 1.2216 Aggregation-prone
109 Y A 1.8285 Aggregation-prone
110 Y A 1.8478 Aggregation-prone
113 G A 0.0000 Buried
114 F A 0.0000 Buried
115 T A 0.0000 Buried
116 S A 0.3347 Aggregation-prone
117 Y A 0.1944 Aggregation-prone
118 W A -0.0860 Soluble
119 G A 0.0000 Buried
120 Q A -1.3571 Soluble
121 G A -0.5190 Soluble
122 T A -0.0644 Soluble
123 L A 0.2170 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.0222 Soluble
128 S A -0.7302 Soluble
129 A A -0.5667 Soluble
130 S A -0.6837 Soluble
131 T A -0.7815 Soluble
132 K A -1.6008 Soluble
133 G A -1.6498 Soluble
134 P A 0.0000 Buried
135 S A -0.5109 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2249 Soluble
139 L A 0.0000 Buried
140 A A -0.6206 Soluble
141 P A -0.6203 Soluble
142 C A -0.7631 Soluble
143 S A -1.2637 Soluble
144 R A -2.2491 Soluble
145 S A -1.7012 Soluble
146 T A -1.2021 Soluble
147 S A -1.2648 Soluble
148 E A -1.9735 Soluble
149 S A -1.1133 Soluble
150 T A -0.7594 Soluble
151 A A -0.7574 Soluble
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.5550 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.4395 Soluble
164 P A -0.7816 Soluble
165 V A -0.8338 Soluble
166 T A -0.7536 Soluble
167 V A -0.3202 Soluble
168 S A -0.6034 Soluble
169 W A 0.0000 Buried
170 N A -1.1707 Soluble
171 S A -0.8537 Soluble
172 G A -0.6431 Soluble
173 A A -0.3106 Soluble
174 L A -0.1221 Soluble
175 T A -0.2123 Soluble
176 S A -0.2074 Soluble
177 G A -0.2612 Soluble
178 V A 0.1389 Aggregation-prone
179 H A -0.3171 Soluble
180 T A 0.0241 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.4917 Soluble
183 A A 0.1180 Aggregation-prone
184 V A 0.3211 Aggregation-prone
185 L A 0.9809 Aggregation-prone
186 Q A 0.2202 Aggregation-prone
187 S A -0.0752 Soluble
188 S A -0.2060 Soluble
189 G A 0.0043 Aggregation-prone
190 L A -0.0274 Soluble
191 Y A 0.2801 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1252 Soluble
199 V A 0.0000 Buried
200 P A -0.5699 Soluble
201 S A -1.0149 Soluble
202 S A -0.5627 Soluble
203 S A -0.7019 Soluble
204 L A -1.1602 Soluble
205 G A -1.3033 Soluble
206 T A -1.1274 Soluble
207 K A -2.0582 Soluble
208 T A -1.7738 Soluble
209 Y A 0.0000 Buried
210 T A 0.0000 Buried
211 C A 0.0000 Buried
212 N A -1.8269 Soluble
213 V A 0.0000 Buried
214 D A -2.4208 Soluble
215 H A 0.0000 Buried
216 K A -2.8960 Soluble
217 P A -1.7230 Soluble
218 S A -1.9966 Soluble
219 N A -2.7692 Soluble
220 T A -2.2855 Soluble
221 K A -2.8703 Soluble
222 V A -1.8671 Soluble
223 D A -2.8332 Soluble
224 K A -2.3005 Soluble
225 R A -2.9520 Soluble
226 V A 0.0000 Buried
227 E A -2.5921 Soluble
228 S A -1.6483 Soluble
1 D B -2.5864 Soluble
2 I B 0.0000 Buried
3 Q B -2.0722 Soluble
4 M B 0.0000 Buried
5 T B -1.2268 Soluble
6 Q B 0.0000 Buried
7 S B -0.6258 Soluble
8 P B -0.6993 Soluble
9 S B -1.0264 Soluble
10 S B -0.9681 Soluble
11 L B -0.6063 Soluble
12 S B -0.8328 Soluble
13 A B 0.0000 Buried
14 S B -1.0718 Soluble
15 V B -0.4582 Soluble
16 G B -1.2586 Soluble
17 D B -2.2997 Soluble
18 R B -2.6057 Soluble
19 V B 0.0000 Buried
20 T B -0.4847 Soluble
21 I B 0.0000 Buried
22 T B -0.7470 Soluble
23 C B 0.0000 Buried
24 Q B -2.3109 Soluble
25 A B 0.0000 Buried
26 S B -2.2060 Soluble
27 Q B -2.8425 Soluble
28 D B -2.8256 Soluble
29 I B 0.0000 Buried
36 G B -0.9015 Soluble
37 I B 0.0807 Aggregation-prone
38 S B 0.0193 Aggregation-prone
39 L B 0.0000 Buried
40 S B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.7371 Soluble
46 P B -1.6559 Soluble
47 G B -1.7106 Soluble
48 K B -2.6305 Soluble
49 A B -1.6218 Soluble
50 P B 0.0000 Buried
51 K B -1.4788 Soluble
52 L B -0.4465 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.2756 Aggregation-prone
56 N B 0.0160 Aggregation-prone
57 A B 0.0000 Buried
65 N B -1.3333 Soluble
66 N B -1.0244 Soluble
67 L B -0.4686 Soluble
68 A B -0.9942 Soluble
69 D B -1.8680 Soluble
70 G B -1.2069 Soluble
71 V B -0.7578 Soluble
72 P B -0.4956 Soluble
74 S B -0.3704 Soluble
75 R B -0.8102 Soluble
76 F B 0.0000 Buried
77 S B -0.6358 Soluble
78 G B -0.8044 Soluble
79 S B -0.9793 Soluble
80 G B -0.9863 Soluble
83 S B -0.9931 Soluble
84 G B -1.6205 Soluble
85 T B -2.1791 Soluble
86 D B -2.5608 Soluble
87 F B 0.0000 Buried
88 T B -0.8814 Soluble
89 L B 0.0000 Buried
90 T B -0.5879 Soluble
91 I B 0.0000 Buried
92 S B -1.4760 Soluble
93 S B -1.5507 Soluble
94 L B 0.0000 Buried
95 Q B -1.1501 Soluble
96 P B -1.2975 Soluble
97 E B -1.8619 Soluble
98 D B 0.0000 Buried
99 F B -0.7847 Soluble
100 A B 0.0000 Buried
101 T B -0.9563 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 L B 0.0000 Buried
106 Q B 0.0000 Buried
107 H B 0.0000 Buried
108 N B -0.7258 Soluble
109 S B -0.6978 Soluble
114 A B -0.3467 Soluble
115 P B -0.6444 Soluble
116 Y B 0.0000 Buried
117 T B -0.9270 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.8285 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.9560 Soluble
124 L B 0.0000 Buried
125 E B -1.1109 Soluble
126 I B -0.6969 Soluble
127 K B -1.2369 Soluble
128 R B -0.9295 Soluble
129 T B -0.0818 Soluble
130 V B 0.4793 Aggregation-prone
131 A B 0.0788 Aggregation-prone
132 A B -0.0507 Soluble
133 P B 0.0000 Buried
134 S B -0.0569 Soluble
135 V B 0.0318 Aggregation-prone
136 F B 0.0396 Aggregation-prone
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B 0.0000 Buried
140 P B -0.6691 Soluble
141 S B -1.4723 Soluble
142 D B -2.7856 Soluble
143 E B -2.8408 Soluble
144 Q B 0.0000 Buried
145 L B -2.1806 Soluble
146 K B -2.7748 Soluble
147 S B -1.7063 Soluble
148 G B -1.1989 Soluble
149 T B -0.8187 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.7999 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4098 Soluble
162 R B -2.3516 Soluble
163 E B -2.8944 Soluble
164 A B -2.1617 Soluble
165 K B -2.3336 Soluble
166 V B -1.0443 Soluble
167 Q B -0.4753 Soluble
168 W B 0.0000 Buried
169 K B -0.4586 Soluble
170 V B 0.0000 Buried
171 D B -1.8248 Soluble
172 N B -1.4624 Soluble
173 A B -0.1908 Soluble
174 L B 0.8250 Aggregation-prone
175 Q B -0.0459 Soluble
176 S B -0.3762 Soluble
177 G B -0.8805 Soluble
178 N B -0.7770 Soluble
179 S B -1.1129 Soluble
180 Q B -1.4626 Soluble
181 E B -1.9942 Soluble
182 S B -0.8810 Soluble
183 V B -0.7737 Soluble
184 T B 0.0000 Buried
185 E B -2.2304 Soluble
186 Q B -1.8626 Soluble
187 D B -1.9531 Soluble
188 S B -1.9989 Soluble
189 K B -2.3273 Soluble
190 D B -1.8250 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.6723 Soluble
199 L B 0.0000 Buried
200 T B -0.4101 Soluble
201 L B -0.5750 Soluble
202 S B -0.9352 Soluble
203 K B -1.8621 Soluble
204 A B -1.6685 Soluble
205 D B -2.2659 Soluble
206 Y B 0.0000 Buried
207 E B -3.0615 Soluble
208 K B -3.3761 Soluble
209 H B -2.9367 Soluble
210 K B -3.2397 Soluble
211 V B -1.5133 Soluble
212 Y B 0.0000 Buried
213 A B -0.8124 Soluble
214 C B 0.0000 Buried
215 E B -0.7604 Soluble
216 V B 0.0000 Buried
217 T B -1.2089 Soluble
218 H B 0.0000 Buried
219 Q B -1.6480 Soluble
220 G B -0.3767 Soluble
221 L B -0.2085 Soluble
222 S B -0.4562 Soluble
223 S B -0.4397 Soluble
224 P B -0.5684 Soluble
225 V B -0.0405 Soluble
226 T B -0.4555 Soluble
227 K B -0.7118 Soluble
228 S B -0.6571 Soluble
229 F B 0.0000 Buried
230 N B -1.8127 Soluble
231 R B -2.3206 Soluble
232 G B -2.0088 Soluble
233 E B -2.1916 Soluble
234 C B -0.7498 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7599 2.1032 CSV PDB
4.5 -0.8123 2.0655 CSV PDB
5.0 -0.874 2.0222 CSV PDB
5.5 -0.9341 1.9766 CSV PDB
6.0 -0.9801 1.9311 CSV PDB
6.5 -1.0017 1.931 CSV PDB
7.0 -0.9981 1.9309 CSV PDB
7.5 -0.9775 1.9304 CSV PDB
8.0 -0.9472 1.9291 CSV PDB
8.5 -0.9096 1.9247 CSV PDB
9.0 -0.8643 1.9111 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH