Canakinumab / 4g5z

A4DAB057_4g5z_H_L | Source PDB: 4g5z | Chains: H, L | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7559
Max Score
1.5658
Min Score
-4.0269
Total Score
-325.02
Score CDR
-0.448
Score non-CDR
-0.7919

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSVYGMNWVRQAPAKGLEWVAIIWYDGDNQYYADSVKGRFTISRDNSKNTLYLQMNGLRAEDTAVYYCARDLRTGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVAPEIVLTQSPDFQSVTPKEKVTITCRASQSIGSSLHWYQQKPDQSPKLLIKYASQSFSGVPSRFSGSGSGTDFTLTINSLEAEDAAAYYCHQSSSLPFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -4.0269
Maximum Score 1.5658
Average Score -0.7559
Total Score -325.0243

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

Index Residue Chain A4D Score Classification
1 Q H -1.3956 Soluble
2 V H -0.6536 Soluble
3 Q H -1.1370 Soluble
4 L H 0.0000 Buried
5 V H 0.1425 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4069 Soluble
8 G H -0.6708 Soluble
9 G H 0.0158 Aggregation-prone
11 G H 0.6082 Aggregation-prone
12 V H 0.8240 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.7266 Soluble
15 P H -2.1086 Soluble
16 G H -2.2448 Soluble
17 R H -2.7927 Soluble
18 S H -1.9808 Soluble
19 L H -1.4839 Soluble
20 R H -2.2061 Soluble
21 L H 0.0000 Buried
22 S H -0.5775 Soluble
23 C H 0.0000 Buried
24 A H -0.2958 Soluble
25 A H 0.0000 Buried
26 S H -0.6780 Soluble
27 G H -0.9397 Soluble
28 F H -0.1541 Soluble
29 T H 0.2132 Aggregation-prone
30 F H 0.0000 Buried
35 S H 0.0778 Aggregation-prone
36 V H 0.9735 Aggregation-prone
37 Y H 0.5831 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 0.0000 Buried
44 Q H -0.8307 Soluble
45 A H -0.9701 Soluble
46 P H -1.0217 Soluble
47 A H -0.9309 Soluble
48 K H -1.9966 Soluble
49 G H -1.2530 Soluble
50 L H 0.0000 Buried
51 E H -0.9993 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 I H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.7525 Soluble
58 Y H -0.0378 Soluble
59 D H -2.0592 Soluble
62 G H -2.2300 Soluble
63 D H -2.9241 Soluble
64 N H -2.4264 Soluble
65 Q H -1.3237 Soluble
66 Y H -0.3012 Soluble
67 Y H 0.0000 Buried
68 A H -1.3136 Soluble
69 D H -2.6045 Soluble
70 S H -1.8294 Soluble
71 V H 0.0000 Buried
72 K H -2.5772 Soluble
74 G H -1.8119 Soluble
75 R H -1.4359 Soluble
76 F H 0.0000 Buried
77 T H -0.9728 Soluble
78 I H 0.0000 Buried
79 S H -1.1099 Soluble
80 R H -1.4193 Soluble
81 D H -2.1489 Soluble
82 N H -1.7137 Soluble
83 S H -1.6118 Soluble
84 K H -2.3989 Soluble
85 N H -1.6303 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.7191 Soluble
89 L H 0.0000 Buried
90 Q H -1.4807 Soluble
91 M H 0.0000 Buried
92 N H -1.9084 Soluble
93 G H -1.7911 Soluble
94 L H 0.0000 Buried
95 R H -2.8577 Soluble
96 A H -1.8462 Soluble
97 E H -2.3810 Soluble
98 D H 0.0000 Buried
99 T H -0.5027 Soluble
100 A H 0.0000 Buried
101 V H 0.3334 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 D H 0.0000 Buried
108 L H -0.3853 Soluble
109 R H -1.4075 Soluble
110 T H -0.7716 Soluble
113 G H 0.0000 Buried
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.2007 Aggregation-prone
118 W H -0.2728 Soluble
119 G H 0.0000 Buried
120 Q H -1.5723 Soluble
121 G H -0.5065 Soluble
122 T H 0.4173 Aggregation-prone
123 L H 1.5658 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0373 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.7603 Soluble
128 S H -0.7042 Soluble
129 A H -0.4466 Soluble
130 S H -0.5883 Soluble
131 T H -0.7930 Soluble
132 K H -1.6590 Soluble
133 G H -1.7469 Soluble
134 P H 0.0000 Buried
135 S H -0.4789 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.8067 Soluble
139 L H 0.0000 Buried
140 A H -0.3983 Soluble
141 P H 0.0000 Buried
142 S H -0.7869 Soluble
143 S H -1.1301 Soluble
144 K H -1.9750 Soluble
145 S H 0.0000 Buried
146 T H -1.0021 Soluble
147 S H -0.8644 Soluble
148 G H -0.8148 Soluble
149 G H -0.8772 Soluble
150 T H -0.6366 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 -0.9682 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.9446 Soluble
163 E H -1.3108 Soluble
164 P H -1.3471 Soluble
165 V H -1.1141 Soluble
166 T H -0.9173 Soluble
167 V H -0.3357 Soluble
168 S H -0.4472 Soluble
169 W H 0.0000 Buried
170 N H -0.5929 Soluble
171 S H -0.6044 Soluble
172 G H -0.5438 Soluble
173 A H -0.2225 Soluble
174 L H 0.0353 Aggregation-prone
175 T H -0.1510 Soluble
176 S H -0.1807 Soluble
177 G H -0.2671 Soluble
178 V H 0.2060 Aggregation-prone
179 H H -0.1589 Soluble
180 T H 0.1227 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2421 Soluble
183 A H 0.0704 Aggregation-prone
184 V H 0.3284 Aggregation-prone
185 L H 0.7674 Aggregation-prone
186 Q H 0.0849 Aggregation-prone
187 S H -0.1204 Soluble
188 S H -0.3095 Soluble
189 G H -0.1145 Soluble
190 L H -0.3530 Soluble
191 Y H 0.0000 Buried
192 S H 0.0000 Buried
193 L H 0.0385 Aggregation-prone
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 -0.1571 Soluble
199 V H 0.0000 Buried
200 P H -0.6552 Soluble
201 S H -0.5587 Soluble
202 S H -0.5540 Soluble
203 S H -0.5704 Soluble
204 L H -0.4767 Soluble
205 G H -0.7486 Soluble
206 T H -0.7329 Soluble
207 Q H -1.1330 Soluble
208 T H -0.6881 Soluble
209 Y H 0.0000 Buried
210 I H -0.5953 Soluble
211 C H 0.0000 Buried
212 N H -1.5377 Soluble
213 V H 0.0000 Buried
214 N H -2.6240 Soluble
215 H H 0.0000 Buried
216 K H -2.9748 Soluble
217 P H -1.8677 Soluble
218 S H -1.9579 Soluble
219 N H -2.7000 Soluble
220 T H -2.3111 Soluble
221 K H -2.9105 Soluble
222 V H -1.6290 Soluble
223 D H -2.4113 Soluble
224 K H -1.6644 Soluble
225 R H -1.6675 Soluble
226 V H 0.0000 Buried
227 A H -0.5471 Soluble
228 P H -0.4343 Soluble
1 E L -1.5556 Soluble
2 I L -0.1248 Soluble
3 V L 0.9848 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.2896 Soluble
6 Q L 0.0000 Buried
7 S L -1.0069 Soluble
8 P L -1.1376 Soluble
9 D L -2.0555 Soluble
10 F L -1.3672 Soluble
11 Q L -1.1637 Soluble
12 S L -1.0139 Soluble
13 V L 0.0000 Buried
14 T L -2.1369 Soluble
15 P L -2.6814 Soluble
16 K L -3.6493 Soluble
17 E L -4.0269 Soluble
18 K L -3.5792 Soluble
19 V L 0.0000 Buried
20 T L -0.6921 Soluble
21 I L 0.0000 Buried
22 T L -0.9164 Soluble
23 C L 0.0000 Buried
24 R L -1.7307 Soluble
25 A L 0.0000 Buried
26 S L -0.8482 Soluble
27 Q L -1.6431 Soluble
28 S L -1.3681 Soluble
29 I L 0.0000 Buried
36 G L -0.8566 Soluble
37 S L -0.7340 Soluble
38 S L -0.2544 Soluble
39 L L 0.0000 Buried
40 H 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 0.0000 Buried
45 K L -1.9356 Soluble
46 P L -1.9721 Soluble
47 D L -2.7307 Soluble
48 Q L -2.7533 Soluble
49 S L -1.8220 Soluble
50 P L 0.0000 Buried
51 K L -1.7212 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.5157 Soluble
56 Y L -0.3140 Soluble
57 A L 0.0000 Buried
65 S L -0.9211 Soluble
66 Q L -1.2498 Soluble
67 S L -0.8224 Soluble
68 F L -0.5625 Soluble
69 S L -0.4374 Soluble
70 G L -0.4877 Soluble
71 V L -0.4055 Soluble
72 P L -0.3665 Soluble
74 S L -0.6414 Soluble
75 R L -1.3097 Soluble
76 F L 0.0000 Buried
77 S L -0.8361 Soluble
78 G L -0.6293 Soluble
79 S L -0.8723 Soluble
80 G L -1.1768 Soluble
83 S L -1.0626 Soluble
84 G L -1.3556 Soluble
85 T L -1.8641 Soluble
86 D L -2.5805 Soluble
87 F L 0.0000 Buried
88 T L -0.7891 Soluble
89 L L 0.0000 Buried
90 T L -0.8835 Soluble
91 I L 0.0000 Buried
92 N L -3.0648 Soluble
93 S L -3.2857 Soluble
94 L L 0.0000 Buried
95 E L -2.8294 Soluble
96 A L -1.8439 Soluble
97 E L -2.2861 Soluble
98 D L 0.0000 Buried
99 A L -1.2030 Soluble
100 A L 0.0000 Buried
101 A L 0.0000 Buried
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L -0.1599 Soluble
108 S L -0.2721 Soluble
109 S L -0.2247 Soluble
114 L L 0.1950 Aggregation-prone
115 P L -0.3622 Soluble
116 F L 0.0000 Buried
117 T L 0.1180 Aggregation-prone
118 F L 0.2610 Aggregation-prone
119 G L 0.0000 Buried
120 P L -0.8154 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.4081 Soluble
124 V L 0.0000 Buried
125 D L 0.0000 Buried
126 I L -1.3369 Soluble
127 K L -1.7006 Soluble
128 R L -1.1444 Soluble
129 T L -0.1047 Soluble
130 V L 0.5611 Aggregation-prone
131 A L 0.1375 Aggregation-prone
132 A L -0.0900 Soluble
133 P L 0.0000 Buried
134 S L -0.2126 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 -0.6437 Soluble
140 P L -0.9093 Soluble
141 S L -1.7021 Soluble
142 D L -3.0683 Soluble
143 E L -3.2537 Soluble
144 Q L 0.0000 Buried
145 L L -2.3303 Soluble
146 K L -2.9231 Soluble
147 S L -1.7947 Soluble
148 G L -1.3678 Soluble
149 T L -1.0325 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 -0.9032 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1747 Soluble
162 R L -1.6957 Soluble
163 E L -2.5562 Soluble
164 A L -1.8933 Soluble
165 K L -2.3517 Soluble
166 V L -1.1449 Soluble
167 Q L -0.4645 Soluble
168 W L 0.0000 Buried
169 K L -0.4857 Soluble
170 V L 0.0000 Buried
171 D L -1.8589 Soluble
172 N L -1.3647 Soluble
173 A L -0.2567 Soluble
174 L L 0.7572 Aggregation-prone
175 Q L -0.2657 Soluble
176 S L -0.6755 Soluble
177 G L -1.3397 Soluble
178 N L -1.7188 Soluble
179 S L -1.5441 Soluble
180 Q L -1.5484 Soluble
181 E L -1.9469 Soluble
182 S L -0.4831 Soluble
183 V L 0.0405 Aggregation-prone
184 T L -0.7465 Soluble
185 E L -1.9780 Soluble
186 Q L -1.7318 Soluble
187 D L -2.0754 Soluble
188 S L -1.9404 Soluble
189 K L -2.3123 Soluble
190 D L -1.8255 Soluble
191 S L -1.8549 Soluble
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 -0.7780 Soluble
199 L L 0.0000 Buried
200 T L -0.6736 Soluble
201 L L -0.8522 Soluble
202 S L -1.0607 Soluble
203 K L -2.1408 Soluble
204 A L -1.9142 Soluble
205 D L -2.5103 Soluble
206 Y L 0.0000 Buried
207 E L -3.7759 Soluble
208 K L -3.6365 Soluble
209 H L -3.2673 Soluble
210 K L -3.3591 Soluble
211 V L -1.8553 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6267 Soluble
216 V L 0.0000 Buried
217 T L -1.1388 Soluble
218 H L 0.0000 Buried
219 Q L -1.4213 Soluble
220 G L -0.3689 Soluble
221 L L -0.1737 Soluble
222 S L -0.4354 Soluble
223 S L -0.3565 Soluble
224 P L -0.4766 Soluble
225 V L 0.1300 Aggregation-prone
226 T L -0.4527 Soluble
227 K L -1.0666 Soluble
228 S L -1.1069 Soluble
229 F L 0.0000 Buried
230 N L -2.3114 Soluble
231 R L -2.6125 Soluble
232 G L -1.8128 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
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 -0.7291 1.9787 CSV PDB
4.5 -0.7776 1.9787 CSV PDB
5.0 -0.8361 1.9787 CSV PDB
5.5 -0.8937 1.9787 CSV PDB
6.0 -0.9382 1.9787 CSV PDB
6.5 -0.9594 1.9787 CSV PDB
7.0 -0.9562 1.9787 CSV PDB
7.5 -0.9359 1.9787 CSV PDB
8.0 -0.9063 1.9787 CSV PDB
8.5 -0.8699 1.9787 CSV PDB
9.0 -0.8258 1.9787 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH