Betinukibart / 7wkx

A4DAB043_7wkx_A_C | Source PDB: 7wkx | Chains: A, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6499
Max Score
2.0444
Min Score
-3.6565
Total Score
-282.71
Score CDR
-0.0985
Score non-CDR
-0.7199

Calculation Parameters

Chain Sequence(s) QVQLVQSGSELKKPGASVKVSCKASEYIFTNYGMNWVKQAPGQGFEWMGWIDTNTGEPTYAQGFTGRFVFSLDTSVSTAYLQISSLKAEDTATYYCANYGWGYFDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVSADVVMTQTPPSLPVNPGEPASISCRSSQSLVHSNGYTYLHWYLQKPGQSPQLLIYKVSNHLSGVPDRFSGSGSGTDFTLKISWVEAEDVGVYFCSQSTHVPYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) A (Heavy), C (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 -3.6565
Maximum Score 2.0444
Average Score -0.6499
Total Score -282.7074

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

Index Residue Chain A4D Score Classification
1 Q A -1.4786 Soluble
2 V A -0.7535 Soluble
3 Q A -1.5419 Soluble
4 L A 0.0000 Buried
5 V A -0.0591 Soluble
6 Q A 0.0000 Buried
7 S A -0.7003 Soluble
8 G A -0.7363 Soluble
9 S A -0.5255 Soluble
11 E A -0.6759 Soluble
12 L A -0.2344 Soluble
13 K A -1.4082 Soluble
14 K A -2.2948 Soluble
15 P A -1.7692 Soluble
16 G A -1.4490 Soluble
17 A A -1.1001 Soluble
18 S A -1.1906 Soluble
19 V A 0.0000 Buried
20 K A -1.8395 Soluble
21 V A 0.0000 Buried
22 S A -0.6940 Soluble
23 C A 0.0000 Buried
24 K A -0.9803 Soluble
25 A A 0.0000 Buried
26 S A -0.8910 Soluble
27 E A -0.5680 Soluble
28 Y A 1.5155 Aggregation-prone
29 I A 1.4812 Aggregation-prone
30 F A 2.0444 Aggregation-prone
35 T A 0.0000 Buried
36 N A -0.5659 Soluble
37 Y A -0.0123 Soluble
38 G A 0.0000 Buried
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 K A -1.1091 Soluble
44 Q A -1.3356 Soluble
45 A A -1.3953 Soluble
46 P A -0.9774 Soluble
47 G A -1.2712 Soluble
48 Q A -2.0636 Soluble
49 G A -1.6868 Soluble
50 F A 0.0000 Buried
51 E A -2.0887 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A -0.0892 Soluble
56 I A 0.0000 Buried
57 D A -1.4009 Soluble
58 T A -0.7576 Soluble
59 N A -1.4966 Soluble
62 T A -1.3875 Soluble
63 G A -1.6409 Soluble
64 E A -2.2115 Soluble
65 P A -0.7859 Soluble
66 T A -0.2400 Soluble
67 Y A -0.0793 Soluble
68 A A 0.0000 Buried
69 Q A -1.6039 Soluble
70 G A -1.3078 Soluble
71 F A 0.0000 Buried
72 T A -0.5431 Soluble
74 G A -0.7154 Soluble
75 R A -0.5751 Soluble
76 F A 0.0000 Buried
77 V A 0.7243 Aggregation-prone
78 F A 0.0000 Buried
79 S A -0.3627 Soluble
80 L A -0.5866 Soluble
81 D A -0.7644 Soluble
82 T A -0.3855 Soluble
83 S A -0.0825 Soluble
84 V A 0.3283 Aggregation-prone
85 S A -0.0963 Soluble
86 T A -0.2072 Soluble
87 A A 0.0000 Buried
88 Y A -0.4214 Soluble
89 L A 0.0000 Buried
90 Q A -0.9275 Soluble
91 I A 0.0000 Buried
92 S A -0.8890 Soluble
93 S A -1.1277 Soluble
94 L A 0.0000 Buried
95 K A -2.0950 Soluble
96 A A -1.7240 Soluble
97 E A -2.1130 Soluble
98 D A 0.0000 Buried
99 T A -0.8953 Soluble
100 A A 0.0000 Buried
101 T A -0.3606 Soluble
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 N A 0.0000 Buried
107 Y A 0.0000 Buried
108 G A 0.0000 Buried
109 W A 1.1223 Aggregation-prone
113 G A 0.0000 Buried
114 Y A 0.5006 Aggregation-prone
115 F A 0.0000 Buried
116 D A 0.0077 Aggregation-prone
117 Y A -0.3862 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.3773 Soluble
121 G A -0.7366 Soluble
122 T A 0.0000 Buried
123 T A -0.3862 Soluble
124 V A 0.0000 Buried
125 T A -0.7043 Soluble
126 V A 0.0000 Buried
127 S A -0.9067 Soluble
128 S A -0.9597 Soluble
129 A A -0.7222 Soluble
130 S A -0.6994 Soluble
131 T A -0.6963 Soluble
132 K A -1.1503 Soluble
133 G A -1.3074 Soluble
134 P A 0.0000 Buried
135 S A -0.4105 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -0.8734 Soluble
139 L A 0.0000 Buried
140 A A -0.2983 Soluble
141 P A 0.0000 Buried
142 S A -0.7722 Soluble
143 S A -1.3036 Soluble
144 K A -1.9192 Soluble
145 S A -1.1747 Soluble
146 T A -0.9252 Soluble
147 S A -0.8610 Soluble
148 G A -0.8313 Soluble
149 G A -0.6597 Soluble
150 T A -0.4677 Soluble
151 A A 0.0000 Buried
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 -0.4185 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A -0.6918 Soluble
163 E A -1.1265 Soluble
164 P A -1.0469 Soluble
165 V A -0.7818 Soluble
166 T A -0.5828 Soluble
167 V A -0.2912 Soluble
168 S A -0.3771 Soluble
169 W A 0.0000 Buried
170 N A -0.7851 Soluble
171 S A -0.6870 Soluble
172 G A -0.5887 Soluble
173 A A -0.2534 Soluble
174 L A -0.0274 Soluble
175 T A -0.1859 Soluble
176 S A -0.2188 Soluble
177 G A -0.1702 Soluble
178 V A 0.1969 Aggregation-prone
179 H A -0.2844 Soluble
180 T A 0.0366 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.3443 Soluble
183 A A 0.0006 Aggregation-prone
184 V A 0.3669 Aggregation-prone
185 L A 1.0619 Aggregation-prone
186 Q A 0.2134 Aggregation-prone
187 S A -0.0628 Soluble
188 S A -0.1810 Soluble
189 G A 0.0241 Aggregation-prone
190 L A 0.0095 Aggregation-prone
191 Y A 0.2732 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 -0.1169 Soluble
199 V A 0.0000 Buried
200 P A -0.6571 Soluble
201 S A -0.7543 Soluble
202 S A -0.7228 Soluble
203 S A -0.6254 Soluble
204 L A -0.4361 Soluble
205 G A -0.7340 Soluble
206 T A -0.6710 Soluble
207 Q A -0.9359 Soluble
208 T A -0.8016 Soluble
209 Y A 0.0000 Buried
210 I A -1.2094 Soluble
211 C A 0.0000 Buried
212 N A -1.4858 Soluble
213 V A 0.0000 Buried
214 N A -1.8555 Soluble
215 H A 0.0000 Buried
216 K A -2.7941 Soluble
217 P A -1.6819 Soluble
218 S A -1.8224 Soluble
219 N A -2.5754 Soluble
220 T A -2.0203 Soluble
221 K A -2.6365 Soluble
222 V A -1.5542 Soluble
223 D A -2.5617 Soluble
224 K A -2.0758 Soluble
225 R A -2.3109 Soluble
226 V A 0.0000 Buried
227 S A -0.7725 Soluble
228 A A -0.4222 Soluble
1 D C -1.2704 Soluble
2 V C 0.0000 Buried
3 V C 0.7532 Aggregation-prone
4 M C 0.0000 Buried
5 T C -0.5531 Soluble
6 Q C 0.0000 Buried
7 T C -0.6467 Soluble
8 P C -0.4318 Soluble
9 P C -0.5887 Soluble
10 S C -0.4691 Soluble
11 L C -0.3356 Soluble
12 P C -1.0096 Soluble
13 V C 0.0000 Buried
14 N C -2.4104 Soluble
15 P C -1.9948 Soluble
16 G C -1.6102 Soluble
17 E C -2.3371 Soluble
18 P C -1.5377 Soluble
19 A C 0.0000 Buried
20 S C -0.7304 Soluble
21 I C 0.0000 Buried
22 S C -1.0281 Soluble
23 C C 0.0000 Buried
24 R C -2.2832 Soluble
25 S C 0.0000 Buried
26 S C -0.8798 Soluble
27 Q C -1.2646 Soluble
28 S C -0.6943 Soluble
29 L C 0.0000 Buried
30 V C 0.9532 Aggregation-prone
31 H C -0.0572 Soluble
32 S C -0.5783 Soluble
34 N C -1.1203 Soluble
35 G C -0.2702 Soluble
36 Y C 0.9283 Aggregation-prone
37 T C 0.6346 Aggregation-prone
38 Y C 0.0000 Buried
39 L C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 L C 0.0000 Buried
44 Q C -1.2423 Soluble
45 K C -1.6854 Soluble
46 P C -1.4910 Soluble
47 G C -1.5103 Soluble
48 Q C -2.2090 Soluble
49 S C -1.5381 Soluble
50 P C 0.0000 Buried
51 Q C -1.4650 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.1534 Soluble
56 K C 0.0392 Aggregation-prone
57 V C -0.1591 Soluble
65 S C -0.5662 Soluble
66 N C -0.7735 Soluble
67 H C -0.8660 Soluble
68 L C -0.1642 Soluble
69 S C -0.3912 Soluble
70 G C -0.7068 Soluble
71 V C -0.7009 Soluble
72 P C -1.1689 Soluble
74 D C -2.2064 Soluble
75 R C -1.2533 Soluble
76 F C 0.0000 Buried
77 S C -1.3046 Soluble
78 G C -0.9608 Soluble
79 S C -0.8607 Soluble
80 G C -0.9993 Soluble
83 S C -0.6731 Soluble
84 G C -0.6971 Soluble
85 T C -1.4776 Soluble
86 D C -2.1175 Soluble
87 F C 0.0000 Buried
88 T C -1.0437 Soluble
89 L C 0.0000 Buried
90 K C -1.6231 Soluble
91 I C 0.0000 Buried
92 S C -1.0825 Soluble
93 W C -0.7363 Soluble
94 V C 0.0000 Buried
95 E C -1.5453 Soluble
96 A C -1.2756 Soluble
97 E C -2.0317 Soluble
98 D C 0.0000 Buried
99 V C -0.5944 Soluble
100 G C -0.7380 Soluble
101 V C -0.1331 Soluble
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 S C 0.0000 Buried
106 Q C 0.0000 Buried
107 S C 0.0000 Buried
108 T C 0.3948 Aggregation-prone
109 H C 0.1889 Aggregation-prone
114 V C 1.2206 Aggregation-prone
115 P C 0.1610 Aggregation-prone
116 Y C 0.0000 Buried
117 T C -0.0950 Soluble
118 F C -0.0195 Soluble
119 G C 0.0000 Buried
120 G C -0.6539 Soluble
121 G C -0.6237 Soluble
122 T C 0.0000 Buried
123 K C -0.7054 Soluble
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 I C -1.4462 Soluble
127 K C -2.1582 Soluble
128 R C -1.5625 Soluble
129 T C -0.2680 Soluble
130 V C 0.4095 Aggregation-prone
131 A C 0.0459 Aggregation-prone
132 A C -0.0620 Soluble
133 P C 0.0000 Buried
134 S C -0.1695 Soluble
135 V C 0.0000 Buried
136 F C 0.0681 Aggregation-prone
137 I C 0.0564 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.7409 Soluble
140 P C -0.7825 Soluble
141 S C -1.5375 Soluble
142 D C -2.8405 Soluble
143 E C -2.6631 Soluble
144 Q C 0.0000 Buried
145 L C -2.1483 Soluble
146 K C -2.7127 Soluble
147 S C -1.7521 Soluble
148 G C -1.2790 Soluble
149 T C -0.8699 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.8049 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7242 Soluble
162 R C -2.8897 Soluble
163 E C -3.1401 Soluble
164 A C -2.3402 Soluble
165 K C -2.3368 Soluble
166 V C 0.0000 Buried
167 Q C -0.7171 Soluble
168 W C 0.0000 Buried
169 K C -0.6393 Soluble
170 V C 0.0000 Buried
171 D C -1.9991 Soluble
172 N C -1.4282 Soluble
173 A C -0.3348 Soluble
174 L C 0.5674 Aggregation-prone
175 Q C -0.2646 Soluble
176 S C -0.4174 Soluble
177 G C -0.8612 Soluble
178 N C -0.7183 Soluble
179 S C -1.1308 Soluble
180 Q C -1.3904 Soluble
181 E C -1.8339 Soluble
182 S C -0.9562 Soluble
183 V C -0.8215 Soluble
184 T C -1.2097 Soluble
185 E C -2.3099 Soluble
186 Q C -2.0174 Soluble
187 D C -2.1366 Soluble
188 S C -1.8025 Soluble
189 K C -2.3690 Soluble
190 D C -1.9304 Soluble
191 S C -1.9384 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6231 Soluble
199 L C 0.0000 Buried
200 T C -0.4175 Soluble
201 L C -0.6256 Soluble
202 S C -1.2342 Soluble
203 K C -2.0359 Soluble
204 A C -1.7975 Soluble
205 D C -2.4832 Soluble
206 Y C 0.0000 Buried
207 E C -3.5514 Soluble
208 K C -3.6565 Soluble
209 H C -3.1752 Soluble
210 K C -3.0128 Soluble
211 V C -1.4450 Soluble
212 Y C 0.0000 Buried
213 A C -0.6408 Soluble
214 C C 0.0000 Buried
215 E C -0.8176 Soluble
216 V C 0.0000 Buried
217 T C -1.2400 Soluble
218 H C 0.0000 Buried
219 Q C -1.5180 Soluble
220 G C -0.3778 Soluble
221 L C -0.2012 Soluble
222 S C -0.4637 Soluble
223 S C -0.4212 Soluble
224 P C -0.5225 Soluble
225 V C -0.0170 Soluble
226 T C -0.4596 Soluble
227 K C -0.6302 Soluble
228 S C -0.4549 Soluble
229 F C -0.9780 Soluble
230 N C -2.0246 Soluble
231 R C -2.5468 Soluble
232 G C -2.3659 Soluble
233 E C -2.3600 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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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 -0.5772 4.8644 CSV PDB
4.5 -0.6204 4.8461 CSV PDB
5.0 -0.6707 4.8213 CSV PDB
5.5 -0.7176 4.794 CSV PDB
6.0 -0.7503 4.7686 CSV PDB
6.5 -0.7605 4.7492 CSV PDB
7.0 -0.7478 4.7381 CSV PDB
7.5 -0.7196 4.7334 CSV PDB
8.0 -0.6829 4.7315 CSV PDB
8.5 -0.6399 4.7305 CSV PDB
9.0 -0.5908 4.729 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH