Betinukibart / 7wkx

A4DAB043_7wkx_B_D | Source PDB: 7wkx | Chains: B, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6302
Max Score
2.0422
Min Score
-4.0255
Total Score
-269.73
Score CDR
-0.0921
Score non-CDR
-0.6998

Calculation Parameters

Chain Sequence(s) QVQLVQSGSELKKPGASVKVSCKASEYIFTNYGMNWVKQAPGQGFEWMGWIDTNTGEPTYAQGFTGRFVFSLDTSVSTAYLQISSLKAEDTATYYCANYGWGYFDYWGQGTTVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVSADVVMTQTPPSLPVNPGEPASISCRSSQSLVHSNGYTYLHWYLQKPGQSPQLLIYKVSNHLSGVPDRFSGSGSGTDFTLKISWVEAEDVGVYFCSQSTHVPYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) B (Heavy), D (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 -4.0255
Maximum Score 2.0422
Average Score -0.6302
Total Score -269.7301

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

Index Residue Chain A4D Score Classification
1 Q B -1.5564 Soluble
2 V B -0.9789 Soluble
3 Q B -1.6338 Soluble
4 L B 0.0000 Buried
5 V B 0.0660 Aggregation-prone
6 Q B 0.0000 Buried
7 S B -0.5789 Soluble
8 G B -0.6500 Soluble
9 S B -0.7122 Soluble
11 E B -0.8685 Soluble
12 L B -0.4141 Soluble
13 K B -1.3747 Soluble
14 K B -2.1801 Soluble
15 P B -1.6238 Soluble
16 G B -1.3349 Soluble
17 A B -1.0249 Soluble
18 S B -1.1212 Soluble
19 V B 0.0000 Buried
20 K B -1.3433 Soluble
21 V B 0.0000 Buried
22 S B -0.3562 Soluble
23 C B 0.0000 Buried
24 K B -0.8511 Soluble
25 A B -0.5503 Soluble
26 S B -1.0761 Soluble
27 E B -1.2173 Soluble
28 Y B 1.2354 Aggregation-prone
29 I B 1.4099 Aggregation-prone
30 F B 2.0422 Aggregation-prone
35 T B 0.0000 Buried
36 N B -0.3210 Soluble
37 Y B 0.2606 Aggregation-prone
38 G B 0.0000 Buried
39 M B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 K B -0.9836 Soluble
44 Q B -1.2190 Soluble
45 A B -1.3961 Soluble
46 P B -1.1873 Soluble
47 G B -1.2613 Soluble
48 Q B -1.9460 Soluble
49 G B -1.4869 Soluble
50 F B -1.1378 Soluble
51 E B -1.8344 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 W B 0.0870 Aggregation-prone
56 I B 0.0000 Buried
57 D B -1.3009 Soluble
58 T B -0.7516 Soluble
59 N B -1.5247 Soluble
62 T B -1.4182 Soluble
63 G B -1.6323 Soluble
64 E B -2.2203 Soluble
65 P B -0.7229 Soluble
66 T B -0.3039 Soluble
67 Y B 0.1156 Aggregation-prone
68 A B 0.0000 Buried
69 Q B -1.4177 Soluble
70 G B -1.2551 Soluble
71 F B 0.0000 Buried
72 T B -0.5541 Soluble
74 G B -0.7539 Soluble
75 R B -0.6537 Soluble
76 F B 0.0000 Buried
77 V B 1.0143 Aggregation-prone
78 F B 0.0000 Buried
79 S B -0.1033 Soluble
80 L B -0.4006 Soluble
81 D B -0.6338 Soluble
82 T B -0.1964 Soluble
83 S B 0.2185 Aggregation-prone
84 V B 0.9096 Aggregation-prone
85 S B 0.0205 Aggregation-prone
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.0286 Soluble
89 L B 0.0000 Buried
90 Q B -0.4849 Soluble
91 I B 0.0000 Buried
92 S B -0.7802 Soluble
93 S B -1.0528 Soluble
94 L B 0.0000 Buried
95 K B -1.9758 Soluble
96 A B -1.5183 Soluble
97 E B -2.0957 Soluble
98 D B 0.0000 Buried
99 T B -0.8699 Soluble
100 A B 0.0000 Buried
101 T B -0.3367 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 N B 0.0000 Buried
107 Y B 0.0000 Buried
108 G B 0.7934 Aggregation-prone
109 W B 1.1594 Aggregation-prone
113 G B 0.6344 Aggregation-prone
114 Y B 0.4922 Aggregation-prone
115 F B 0.0000 Buried
116 D B 0.0996 Aggregation-prone
117 Y B -0.3015 Soluble
118 W B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.2776 Soluble
121 G B -0.6666 Soluble
122 T B 0.0000 Buried
123 T B -0.4447 Soluble
124 V B 0.0000 Buried
125 T B -0.6919 Soluble
126 V B -1.0911 Soluble
127 S B -0.8597 Soluble
128 S B -0.9021 Soluble
129 A B -0.7007 Soluble
130 S B -0.8256 Soluble
131 T B -1.1139 Soluble
132 K B -1.9032 Soluble
133 G B -1.7463 Soluble
134 P B 0.0000 Buried
135 S B -0.5604 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.8835 Soluble
139 L B 0.0000 Buried
140 A B -0.2845 Soluble
141 P B 0.0000 Buried
142 S B -0.1182 Soluble
143 G B -0.7928 Soluble
144 G B -0.8298 Soluble
145 T B -0.5538 Soluble
146 A B -0.2760 Soluble
147 A B 0.0000 Buried
148 L B 0.0000 Buried
149 G B 0.0000 Buried
150 C B 0.0000 Buried
151 L B 0.0000 Buried
152 V B 0.0000 Buried
153 K B 0.0000 Buried
154 D B -0.7533 Soluble
155 Y B 0.0000 Buried
156 F B 0.0000 Buried
157 P B -1.0344 Soluble
158 E B -1.1714 Soluble
159 P B -1.0378 Soluble
160 V B -0.7453 Soluble
161 T B -0.5530 Soluble
162 V B -0.0931 Soluble
163 S B -0.3777 Soluble
164 W B 0.0000 Buried
165 N B -0.8773 Soluble
166 S B -0.6769 Soluble
167 G B -0.5660 Soluble
168 A B -0.2559 Soluble
169 L B -0.0519 Soluble
170 T B -0.1849 Soluble
171 S B -0.1911 Soluble
172 G B -0.2856 Soluble
173 V B 0.1669 Aggregation-prone
174 H B -0.3535 Soluble
175 T B 0.0147 Aggregation-prone
176 F B 0.0000 Buried
177 P B -0.4422 Soluble
178 A B 0.1542 Aggregation-prone
179 V B 0.4658 Aggregation-prone
180 L B 1.3880 Aggregation-prone
181 Q B 0.2599 Aggregation-prone
182 S B 0.0105 Aggregation-prone
183 S B -0.1620 Soluble
184 G B 0.1008 Aggregation-prone
185 L B -0.0390 Soluble
186 Y B 0.2655 Aggregation-prone
187 S B 0.0000 Buried
188 L B 0.0000 Buried
189 S B 0.0000 Buried
190 S B 0.0000 Buried
191 V B 0.0000 Buried
192 V B 0.0000 Buried
193 T B -0.1252 Soluble
194 V B 0.0000 Buried
195 P B -0.6140 Soluble
196 S B -0.5484 Soluble
197 S B -0.6124 Soluble
198 S B -0.4760 Soluble
199 L B -0.3063 Soluble
200 G B -0.6367 Soluble
201 T B -0.6192 Soluble
202 Q B -0.9073 Soluble
203 T B -0.8174 Soluble
204 Y B 0.0000 Buried
205 I B -1.2372 Soluble
206 C B 0.0000 Buried
207 N B -1.3720 Soluble
208 V B 0.0000 Buried
209 N B -1.7131 Soluble
210 H B 0.0000 Buried
211 K B -2.8574 Soluble
212 P B -1.8411 Soluble
213 S B -2.0544 Soluble
214 N B -2.5701 Soluble
215 T B -2.1008 Soluble
216 K B -2.5525 Soluble
217 V B -1.3684 Soluble
218 D B -2.2059 Soluble
219 K B -1.9132 Soluble
220 R B -2.2460 Soluble
221 V B 0.0000 Buried
222 S B -0.6735 Soluble
223 A B -0.2749 Soluble
1 D D -1.2060 Soluble
2 V D -0.1821 Soluble
3 V D 0.7495 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.5714 Soluble
6 Q D 0.0000 Buried
7 T D -0.6508 Soluble
8 P D -0.4339 Soluble
9 P D -0.5675 Soluble
10 S D -0.4853 Soluble
11 L D -0.3095 Soluble
12 P D -0.7869 Soluble
13 V D 0.0000 Buried
14 N D -1.8620 Soluble
15 P D -1.6833 Soluble
16 G D -1.2772 Soluble
17 E D -1.7524 Soluble
18 P D -1.1518 Soluble
19 A D 0.0000 Buried
20 S D -0.5977 Soluble
21 I D 0.0000 Buried
22 S D -0.9936 Soluble
23 C D 0.0000 Buried
24 R D -2.3640 Soluble
25 S D -1.2263 Soluble
26 S D -0.9404 Soluble
27 Q D -1.4855 Soluble
28 S D -0.8207 Soluble
29 L D 0.0000 Buried
30 V D 0.8879 Aggregation-prone
31 H D -0.1106 Soluble
32 S D -0.6092 Soluble
34 N D -1.1355 Soluble
35 G D -0.2923 Soluble
36 Y D 0.8967 Aggregation-prone
37 T D 0.6042 Aggregation-prone
38 Y D 0.0000 Buried
39 L D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 L D 0.0000 Buried
44 Q D -0.9940 Soluble
45 K D -1.3596 Soluble
46 P D -1.3438 Soluble
47 G D -1.4066 Soluble
48 Q D -2.0042 Soluble
49 S D -1.4275 Soluble
50 P D 0.0000 Buried
51 Q D -0.8855 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.2065 Soluble
56 K D -0.0394 Soluble
57 V D -0.2168 Soluble
65 S D -0.6788 Soluble
66 N D -0.8993 Soluble
67 H D -0.9179 Soluble
68 L D -0.1807 Soluble
69 S D -0.3656 Soluble
70 G D -0.6290 Soluble
71 V D -0.6607 Soluble
72 P D -1.1622 Soluble
74 D D -2.1847 Soluble
75 R D -1.1155 Soluble
76 F D 0.0000 Buried
77 S D -1.1996 Soluble
78 G D -0.8610 Soluble
79 S D -0.8504 Soluble
80 G D -1.1121 Soluble
83 S D -0.7842 Soluble
84 G D -0.8359 Soluble
85 T D -1.6670 Soluble
86 D D -2.4377 Soluble
87 F D 0.0000 Buried
88 T D -1.0106 Soluble
89 L D 0.0000 Buried
90 K D -1.1441 Soluble
91 I D 0.0000 Buried
92 S D -0.7797 Soluble
93 W D -0.1941 Soluble
94 V D 0.0000 Buried
95 E D -2.4332 Soluble
96 A D -1.8899 Soluble
97 E D -2.3900 Soluble
98 D D 0.0000 Buried
99 V D -0.8362 Soluble
100 G D 0.0000 Buried
101 V D -0.0991 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 S D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D 0.0000 Buried
108 T D 0.3743 Aggregation-prone
109 H D 0.1787 Aggregation-prone
114 V D 1.1198 Aggregation-prone
115 P D 0.1378 Aggregation-prone
116 Y D 0.0000 Buried
117 T D -0.0386 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.8123 Soluble
121 G D -0.6239 Soluble
122 T D 0.0000 Buried
123 K D -0.7182 Soluble
124 L D 0.0000 Buried
125 E D 0.0000 Buried
126 I D 0.0000 Buried
127 K D -1.4555 Soluble
128 R D -0.9093 Soluble
129 T D 0.1314 Aggregation-prone
130 V D 0.8386 Aggregation-prone
131 A D 0.1948 Aggregation-prone
132 A D -0.0311 Soluble
133 P D 0.0000 Buried
134 S D -0.1127 Soluble
135 V D 0.0000 Buried
136 F D 0.0779 Aggregation-prone
137 I D 0.0263 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5860 Soluble
140 P D -0.7627 Soluble
141 S D -1.6147 Soluble
142 D D -2.9227 Soluble
143 E D -2.8937 Soluble
144 Q D 0.0000 Buried
145 L D -2.3172 Soluble
146 K D -2.7976 Soluble
147 S D -1.7680 Soluble
148 G D -1.2905 Soluble
149 T D -0.8543 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8663 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.5258 Soluble
162 R D -2.8984 Soluble
163 E D -3.1115 Soluble
164 A D -2.2338 Soluble
165 K D -2.3565 Soluble
166 V D -1.0159 Soluble
167 Q D -0.4665 Soluble
168 W D 0.0000 Buried
169 K D -0.3970 Soluble
170 V D 0.0000 Buried
171 D D -1.6905 Soluble
172 N D -1.4558 Soluble
173 A D -0.1941 Soluble
174 L D 0.8070 Aggregation-prone
175 Q D -0.2205 Soluble
176 S D -0.7940 Soluble
177 G D -1.3567 Soluble
178 N D -1.6458 Soluble
179 S D -1.7537 Soluble
180 Q D -2.2285 Soluble
181 E D -2.4497 Soluble
182 S D -0.9916 Soluble
183 V D -1.0480 Soluble
184 T D -1.1998 Soluble
185 E D -2.2808 Soluble
186 Q D -1.9467 Soluble
187 D D -2.0998 Soluble
188 S D -1.9191 Soluble
189 K D -2.2334 Soluble
190 D D -1.6734 Soluble
191 S D -1.7119 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -1.0016 Soluble
199 L D 0.0000 Buried
200 T D -0.5816 Soluble
201 L D -0.6635 Soluble
202 S D -1.3308 Soluble
203 K D -2.0994 Soluble
204 A D -2.1253 Soluble
205 D D -2.8577 Soluble
206 Y D 0.0000 Buried
207 E D -4.0255 Soluble
208 K D -3.8901 Soluble
209 H D -3.3508 Soluble
210 K D -3.3956 Soluble
211 V D -1.7492 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.8578 Soluble
216 V D 0.0000 Buried
217 T D -1.1400 Soluble
218 H D 0.0000 Buried
219 Q D -1.4761 Soluble
220 G D -0.3786 Soluble
221 L D -0.2326 Soluble
222 S D -0.4493 Soluble
223 S D -0.4050 Soluble
224 P D -0.5074 Soluble
225 V D 0.0409 Aggregation-prone
226 T D -0.5221 Soluble
227 K D -0.8777 Soluble
228 S D -0.6121 Soluble
229 F D -0.8779 Soluble
230 N D -2.1598 Soluble
231 R D -3.1138 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
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 -0.5317 4.8487 CSV PDB
4.5 -0.579 4.8108 CSV PDB
5.0 -0.6346 4.766 CSV PDB
5.5 -0.6876 4.7214 CSV PDB
6.0 -0.7263 4.6841 CSV PDB
6.5 -0.7415 4.6601 CSV PDB
7.0 -0.733 4.6486 CSV PDB
7.5 -0.7088 4.6443 CSV PDB
8.0 -0.6764 4.6427 CSV PDB
8.5 -0.6381 4.6419 CSV PDB
9.0 -0.5936 4.6408 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH