Briakinumab / 5n2k

A4DAB055_5n2k_N_M | Source PDB: 5n2k | Chains: N, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6862
Max Score
1.6486
Min Score
-3.0862
Total Score
-288.22
Score CDR
-0.5755
Score non-CDR
-0.7002

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) N (Heavy), M (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 -3.0862
Maximum Score 1.6486
Average Score -0.6862
Total Score -288.2185

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

Index Residue Chain A4D Score Classification
1 Q N -1.1571 Soluble
2 V N -0.4360 Soluble
3 Q N -0.8322 Soluble
4 L N 0.0000 Buried
5 V N 0.3270 Aggregation-prone
6 E N 0.0000 Buried
7 S N -0.4350 Soluble
8 G N -0.6309 Soluble
9 G N -0.1695 Soluble
11 G N 0.5149 Aggregation-prone
12 V N 0.9593 Aggregation-prone
13 V N 0.0000 Buried
14 Q N -1.1045 Soluble
15 P N -1.4613 Soluble
16 G N -1.9622 Soluble
17 R N -2.5688 Soluble
18 S N -1.7794 Soluble
19 L N -1.0624 Soluble
20 R N -1.5444 Soluble
21 L N 0.0000 Buried
22 S N -0.3867 Soluble
23 C N 0.0000 Buried
24 A N -0.2245 Soluble
25 A N 0.0000 Buried
26 S N -0.4731 Soluble
27 G N -0.7196 Soluble
28 F N -0.1113 Soluble
29 T N 0.1016 Aggregation-prone
30 F N 0.0000 Buried
35 S N -0.7239 Soluble
36 S N -0.0397 Soluble
37 Y N 0.4487 Aggregation-prone
38 G N -0.3130 Soluble
39 M N 0.0000 Buried
40 H N 0.0000 Buried
41 W N 0.0000 Buried
42 V N 0.0000 Buried
43 R N 0.0000 Buried
44 Q N -0.8238 Soluble
45 A N -1.1903 Soluble
46 P N -0.9545 Soluble
47 G N -1.4677 Soluble
48 K N -2.2128 Soluble
49 G N -1.3388 Soluble
50 L N 0.0000 Buried
51 E N -0.9688 Soluble
52 W N 0.0000 Buried
53 V N 0.0000 Buried
54 A N 0.0000 Buried
55 F N 0.0000 Buried
56 I N 0.0000 Buried
57 R N -1.4707 Soluble
58 Y N -0.3045 Soluble
59 D N -1.7237 Soluble
62 G N -1.6674 Soluble
63 S N -1.3882 Soluble
64 N N -1.6531 Soluble
65 K N -1.4410 Soluble
66 Y N -0.8476 Soluble
67 Y N -0.9908 Soluble
68 A N -1.3752 Soluble
69 D N -2.4164 Soluble
70 S N -1.7447 Soluble
71 V N 0.0000 Buried
72 K N -2.5265 Soluble
74 G N -1.7268 Soluble
75 R N -1.4312 Soluble
76 F N 0.0000 Buried
77 T N -0.8526 Soluble
78 I N 0.0000 Buried
79 S N -0.9238 Soluble
80 R N -1.2823 Soluble
81 D N -1.9854 Soluble
82 N N -1.8853 Soluble
83 S N -1.6495 Soluble
84 K N -2.4292 Soluble
85 N N -1.7427 Soluble
86 T N 0.0000 Buried
87 L N 0.0000 Buried
88 Y N -0.4830 Soluble
89 L N 0.0000 Buried
90 Q N -0.9341 Soluble
91 M N 0.0000 Buried
92 N N -1.7875 Soluble
93 S N -1.6274 Soluble
94 L N 0.0000 Buried
95 R N -2.1293 Soluble
96 A N -1.4839 Soluble
97 E N -2.1283 Soluble
98 D N 0.0000 Buried
99 T N -0.5261 Soluble
100 A N 0.0000 Buried
101 V N 0.1382 Aggregation-prone
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
105 K N 0.0000 Buried
106 T N 0.0000 Buried
107 H N -0.4944 Soluble
108 G N -0.6434 Soluble
114 S N -0.4929 Soluble
115 H N -1.2679 Soluble
116 D N 0.0000 Buried
117 N N -1.0733 Soluble
118 W N -0.6582 Soluble
119 G N 0.0000 Buried
120 Q N -1.0771 Soluble
121 G N -0.3644 Soluble
122 T N -0.0037 Soluble
123 M N 0.5602 Aggregation-prone
124 V N 0.0000 Buried
125 T N -0.0318 Soluble
126 V N 0.0000 Buried
127 S N -0.4736 Soluble
128 S N -0.6094 Soluble
129 A N -0.3335 Soluble
130 S N -0.6173 Soluble
131 T N -0.9104 Soluble
132 K N -1.3454 Soluble
133 G N -1.4307 Soluble
134 P N 0.0000 Buried
135 S N -0.3331 Soluble
136 V N 0.0000 Buried
137 F N 0.0000 Buried
138 P N -0.9946 Soluble
139 L N 0.0000 Buried
140 A N -0.8931 Soluble
141 P N 0.0000 Buried
142 S N -0.4644 Soluble
143 G N -0.6482 Soluble
144 T N -0.4527 Soluble
145 A N -0.2912 Soluble
146 A N -0.0639 Soluble
147 L N 0.0000 Buried
148 G N 0.0000 Buried
149 C N 0.0000 Buried
150 L N 0.0000 Buried
151 V N 0.0000 Buried
152 K N -0.2987 Soluble
153 D N -0.3449 Soluble
154 Y N 0.0000 Buried
155 F N 0.0000 Buried
156 P N -1.1967 Soluble
157 E N -1.9891 Soluble
158 P N -1.6253 Soluble
159 V N -0.8848 Soluble
160 T N -0.7288 Soluble
161 V N -0.1175 Soluble
162 S N -0.3723 Soluble
163 W N 0.0000 Buried
164 N N -0.8010 Soluble
165 S N -0.6807 Soluble
166 G N -0.5593 Soluble
167 A N -0.2620 Soluble
168 L N -0.0494 Soluble
169 T N -0.2114 Soluble
170 S N -0.2784 Soluble
171 G N -0.3606 Soluble
172 V N 0.1003 Aggregation-prone
173 H N -0.1188 Soluble
174 T N 0.0375 Aggregation-prone
175 F N 0.0000 Buried
176 P N 0.0264 Aggregation-prone
177 A N 0.0396 Aggregation-prone
178 V N 0.0000 Buried
179 L N 1.2748 Aggregation-prone
180 Q N 0.3162 Aggregation-prone
181 S N -0.1238 Soluble
182 S N -0.1301 Soluble
183 G N 0.1281 Aggregation-prone
184 L N 0.0243 Aggregation-prone
185 Y N 0.0874 Aggregation-prone
186 S N 0.0000 Buried
187 L N 0.0000 Buried
188 S N 0.0000 Buried
189 S N 0.0000 Buried
190 V N 0.1721 Aggregation-prone
191 V N 0.0000 Buried
192 T N -0.2006 Soluble
193 V N 0.0000 Buried
194 P N -0.4748 Soluble
195 S N -0.5501 Soluble
196 S N -0.6561 Soluble
197 S N -0.7506 Soluble
198 L N -0.9320 Soluble
199 G N -1.1056 Soluble
200 T N -0.8783 Soluble
201 Q N -1.5518 Soluble
202 T N -1.2564 Soluble
203 Y N 0.0000 Buried
204 I N -1.0652 Soluble
205 C N 0.0000 Buried
206 N N -1.3172 Soluble
207 V N 0.0000 Buried
208 N N -1.7030 Soluble
209 H N 0.0000 Buried
210 K N -2.9258 Soluble
211 P N -1.9319 Soluble
212 S N -1.8833 Soluble
213 N N -2.6154 Soluble
214 T N -2.0465 Soluble
215 K N -2.5690 Soluble
216 V N -1.3774 Soluble
217 D N -2.1727 Soluble
218 K N -1.9877 Soluble
219 K N -2.2997 Soluble
220 V N 0.0000 Buried
221 E N -2.4893 Soluble
222 P N -1.2133 Soluble
2 S M 0.6400 Aggregation-prone
3 V M 1.6486 Aggregation-prone
4 L M 0.0000 Buried
5 T M 0.2242 Aggregation-prone
6 Q M 0.0000 Buried
7 P M -0.5838 Soluble
8 P M -0.8839 Soluble
9 S M -1.0110 Soluble
11 V M -0.5323 Soluble
12 S M -0.6311 Soluble
13 G M 0.0000 Buried
14 A M -0.9076 Soluble
15 P M -1.3488 Soluble
16 G M -1.7803 Soluble
17 Q M -2.5252 Soluble
18 R M -2.6838 Soluble
19 V M 0.0000 Buried
20 T M -0.5232 Soluble
21 I M 0.0000 Buried
22 S M -0.3856 Soluble
23 C M 0.0000 Buried
24 S M -0.1909 Soluble
25 G M -0.4143 Soluble
26 S M -1.0812 Soluble
27 R M -2.2230 Soluble
28 S M -1.4644 Soluble
29 N M 0.0000 Buried
30 I M 0.0000 Buried
35 G M -1.4662 Soluble
36 S M -1.0424 Soluble
37 N M -0.4924 Soluble
38 T M 0.0580 Aggregation-prone
39 V M 0.0000 Buried
40 K M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 L M -0.3210 Soluble
46 P M -0.3364 Soluble
47 G M -0.6445 Soluble
48 T M -0.6827 Soluble
49 A M -0.7969 Soluble
50 P M 0.0000 Buried
51 K M -1.2922 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.2339 Soluble
56 Y M 0.4527 Aggregation-prone
57 N M -0.6774 Soluble
65 D M -1.5816 Soluble
66 Q M -1.6083 Soluble
67 R M -1.6844 Soluble
68 P M -0.9999 Soluble
69 S M -0.7601 Soluble
70 G M -0.8445 Soluble
71 V M -1.0861 Soluble
72 P M -1.2894 Soluble
74 D M -2.2988 Soluble
75 R M -1.6660 Soluble
76 F M 0.0000 Buried
77 S M -1.3104 Soluble
78 G M 0.0000 Buried
79 S M -0.9145 Soluble
80 K M -0.9427 Soluble
83 S M -0.7779 Soluble
84 G M -1.1582 Soluble
85 T M -1.2220 Soluble
86 S M -0.8765 Soluble
87 A M 0.0000 Buried
88 S M -0.6010 Soluble
89 L M 0.0000 Buried
90 A M -0.6305 Soluble
91 I M 0.0000 Buried
92 T M -1.8429 Soluble
93 G M -1.6886 Soluble
94 L M 0.0000 Buried
95 Q M -1.7410 Soluble
96 A M -1.3600 Soluble
97 E M -2.0550 Soluble
98 D M 0.0000 Buried
99 E M -1.2275 Soluble
100 A M 0.0000 Buried
101 D M -0.9071 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 S M 0.0000 Buried
107 Y M -0.2409 Soluble
108 D M -1.1884 Soluble
109 R M -1.4763 Soluble
110 Y M 0.1659 Aggregation-prone
112 T M -0.1190 Soluble
113 H M -0.5585 Soluble
114 P M -0.4945 Soluble
115 A M -0.2184 Soluble
116 L M 0.0000 Buried
117 L M 0.4948 Aggregation-prone
118 F M 0.3975 Aggregation-prone
119 G M 0.0000 Buried
120 T M -0.1488 Soluble
121 G M -0.8989 Soluble
122 T M 0.0000 Buried
123 K M -1.9743 Soluble
124 V M 0.0000 Buried
125 T M -0.5898 Soluble
126 V M 0.0000 Buried
127 L M -0.1146 Soluble
128 G M -0.8544 Soluble
129 Q M -1.1088 Soluble
130 P M -1.2190 Soluble
131 K M -2.1639 Soluble
132 A M -1.3815 Soluble
133 A M -0.7819 Soluble
134 P M 0.0000 Buried
135 S M -0.5881 Soluble
136 V M 0.0000 Buried
137 T M -0.3873 Soluble
138 L M -0.3027 Soluble
139 F M 0.0000 Buried
140 P M -0.1254 Soluble
141 P M 0.0000 Buried
142 S M -0.8061 Soluble
143 S M -1.2161 Soluble
144 E M -2.0890 Soluble
145 E M 0.0000 Buried
146 L M -1.8287 Soluble
147 Q M -2.2101 Soluble
148 A M -1.7805 Soluble
149 N M -2.5116 Soluble
150 K M -2.3388 Soluble
151 A M 0.0000 Buried
152 T M 0.0000 Buried
153 L M 0.0000 Buried
154 V M 0.0000 Buried
155 C M 0.0000 Buried
156 L M 0.0000 Buried
157 I M 0.0000 Buried
158 S M -0.7668 Soluble
159 D M -1.5870 Soluble
160 F M 0.0000 Buried
161 Y M 0.0000 Buried
162 P M -1.0184 Soluble
163 G M -0.7864 Soluble
164 A M -0.2063 Soluble
165 V M -0.0960 Soluble
166 T M -0.1191 Soluble
167 V M 0.1054 Aggregation-prone
168 A M -0.3654 Soluble
169 W M 0.0000 Buried
170 K M -0.8518 Soluble
171 A M 0.0000 Buried
172 D M -1.3235 Soluble
173 S M -0.8895 Soluble
174 S M -0.7332 Soluble
175 P M -0.8119 Soluble
176 V M -0.7395 Soluble
177 K M -1.6055 Soluble
178 A M -0.7601 Soluble
179 G M -0.5618 Soluble
180 V M -0.2366 Soluble
181 E M -0.3531 Soluble
182 T M 0.0016 Aggregation-prone
183 T M 0.0126 Aggregation-prone
184 T M -0.1531 Soluble
185 P M -0.4520 Soluble
186 S M -1.0513 Soluble
187 K M -2.3502 Soluble
188 Q M -2.0160 Soluble
189 S M -1.7121 Soluble
190 N M -2.4965 Soluble
191 N M -2.8024 Soluble
192 K M -2.3882 Soluble
193 Y M -1.4976 Soluble
194 A M 0.0000 Buried
195 A M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 Y M 0.0000 Buried
199 L M 0.0000 Buried
200 S M -0.5047 Soluble
201 L M 0.0000 Buried
202 T M -1.6945 Soluble
203 P M -2.2877 Soluble
204 E M -2.9957 Soluble
205 Q M -2.0864 Soluble
206 W M 0.0000 Buried
207 K M -3.0862 Soluble
208 S M -2.3791 Soluble
209 H M -2.3951 Soluble
210 R M -2.5746 Soluble
211 S M -1.5417 Soluble
212 Y M 0.0000 Buried
213 S M 0.0000 Buried
214 C M 0.0000 Buried
215 Q M -1.0086 Soluble
216 V M 0.0000 Buried
217 T M -0.6802 Soluble
218 H M 0.0000 Buried
219 E M -2.2943 Soluble
220 G M -1.4316 Soluble
221 S M -1.0299 Soluble
222 T M -0.7032 Soluble
223 V M -0.6528 Soluble
224 E M -1.8929 Soluble
225 K M -1.6956 Soluble
226 T M -0.9243 Soluble
227 V M -0.3752 Soluble
228 A M -0.8896 Soluble
229 P M -1.1673 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 -0.7252 2.0722 CSV PDB
4.5 -0.7609 2.0587 CSV PDB
5.0 -0.8011 2.043 CSV PDB
5.5 -0.8375 2.0268 CSV PDB
6.0 -0.861 2.0113 CSV PDB
6.5 -0.8638 1.9977 CSV PDB
7.0 -0.8466 1.9865 CSV PDB
7.5 -0.8162 1.9773 CSV PDB
8.0 -0.7785 1.9697 CSV PDB
8.5 -0.7353 1.9641 CSV PDB
9.0 -0.6875 1.961 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH