Enlonstobart / 5ggq

A4DAB104_5ggq_H_L | Source PDB: 5ggq | Chains: H, L | Done
97.27
Yes
10 Å
Yes
Avg A4D Score
-0.7717
Max Score
1.4387
Min Score
-3.9299
Total Score
-323.34
Score CDR
-0.8002
Score non-CDR
-0.7687

Calculation Parameters

Chain Sequence(s) VQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.9299
Maximum Score 1.4387
Average Score -0.7717
Total Score -323.3385

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

Index Residue Chain A4D Score Classification
2 V H 1.1610 Aggregation-prone
3 Q H -0.5899 Soluble
4 L H 0.0000 Buried
5 V H -0.7817 Soluble
6 E H 0.0000 Buried
7 S H -0.9190 Soluble
8 G H -0.8818 Soluble
9 G H -0.2243 Soluble
11 G H -0.0579 Soluble
12 V H 0.0701 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.4633 Soluble
15 P H -1.9876 Soluble
16 G H -2.0247 Soluble
17 R H -2.6310 Soluble
18 S H -1.8670 Soluble
19 L H -1.4432 Soluble
20 R H -2.1376 Soluble
21 L H 0.0000 Buried
22 D H -1.4533 Soluble
23 C H 0.0000 Buried
24 K H -2.4264 Soluble
25 A H 0.0000 Buried
26 S H -0.6238 Soluble
27 G H -0.0174 Soluble
28 I H 0.1334 Aggregation-prone
29 T H -0.2976 Soluble
30 F H 0.0000 Buried
35 S H -1.3937 Soluble
36 N H -1.3427 Soluble
37 S H -1.0909 Soluble
38 G H -1.1172 Soluble
39 M H 0.0000 Buried
40 H 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 -0.8791 Soluble
45 A H -1.1673 Soluble
46 P H -0.8999 Soluble
47 G H -1.4514 Soluble
48 K H -2.4240 Soluble
49 G H -1.7235 Soluble
50 L H 0.0000 Buried
51 E H -1.5376 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 V H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.8044 Soluble
58 Y H -0.8003 Soluble
59 D H -1.9708 Soluble
62 G H -1.4419 Soluble
63 S H -1.2800 Soluble
64 K H -1.5631 Soluble
65 R H -1.2085 Soluble
66 Y H -0.5349 Soluble
67 Y H -0.8934 Soluble
68 A H -1.3126 Soluble
69 D H -2.4596 Soluble
70 S H -1.6527 Soluble
71 V H 0.0000 Buried
72 K H -2.5718 Soluble
74 G H -1.7761 Soluble
75 R H -1.6054 Soluble
76 F H 0.0000 Buried
77 T H -0.8894 Soluble
78 I H 0.0000 Buried
79 S H -0.8234 Soluble
80 R H -1.2921 Soluble
81 D H -1.9903 Soluble
82 N H -2.2166 Soluble
83 S H -1.6516 Soluble
84 K H -2.7435 Soluble
85 N H -2.4033 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 F H -0.7922 Soluble
89 L H 0.0000 Buried
90 Q H -1.2337 Soluble
91 M H 0.0000 Buried
92 N H -1.9239 Soluble
93 S H -1.7492 Soluble
94 L H 0.0000 Buried
95 R H -2.8784 Soluble
96 A H -1.8008 Soluble
97 E H -2.3822 Soluble
98 D H 0.0000 Buried
99 T H -0.7008 Soluble
100 A H 0.0000 Buried
101 V H 0.3218 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 T H 0.0000 Buried
107 N H -1.9662 Soluble
115 D H -2.2428 Soluble
116 D H -1.3186 Soluble
117 Y H -0.0862 Soluble
118 W H -0.4421 Soluble
119 G H 0.0000 Buried
120 Q H -1.4200 Soluble
121 G H -0.5408 Soluble
122 T H 0.0383 Aggregation-prone
123 L H 0.7196 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2824 Soluble
126 V H 0.0000 Buried
127 S H -0.5381 Soluble
128 S H -0.6232 Soluble
129 A H -0.3613 Soluble
130 S H -0.5585 Soluble
131 T H -0.9823 Soluble
132 K H -1.4036 Soluble
133 G H -1.5814 Soluble
134 P H -0.8206 Soluble
135 S H -0.5651 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.8104 Soluble
139 L H 0.0000 Buried
140 A H -0.2438 Soluble
141 P H -0.5379 Soluble
142 S H -0.9289 Soluble
143 S H -1.2323 Soluble
144 K H -2.0581 Soluble
145 S H -1.3253 Soluble
146 T H -1.0667 Soluble
147 S H -0.7714 Soluble
148 G H -0.8474 Soluble
149 G H -0.8888 Soluble
150 T H -0.5966 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.3439 Aggregation-prone
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 -0.4134 Soluble
159 D H -0.4956 Soluble
160 Y H 0.0000 Buried
161 F H -0.3282 Soluble
162 P H 0.0000 Buried
163 E H -0.7101 Soluble
164 P H -0.9052 Soluble
165 V H 0.0000 Buried
166 T H -0.7786 Soluble
167 V H -0.4583 Soluble
168 S H -0.4109 Soluble
169 W H 0.0000 Buried
170 N H -0.3801 Soluble
171 S H -0.5768 Soluble
172 G H -0.5656 Soluble
173 A H -0.2397 Soluble
174 L H 0.0346 Aggregation-prone
175 T H -0.1827 Soluble
176 S H -0.1864 Soluble
177 G H -0.2314 Soluble
178 V H 0.1844 Aggregation-prone
179 H H -0.3480 Soluble
180 T H -0.1675 Soluble
181 F H 0.0000 Buried
182 P H -0.2913 Soluble
183 A H 0.2040 Aggregation-prone
184 V H 0.6859 Aggregation-prone
185 L H 1.4387 Aggregation-prone
186 Q H 0.3575 Aggregation-prone
187 S H -0.0670 Soluble
188 S H -0.2173 Soluble
189 G H 0.0609 Aggregation-prone
190 L H 0.1430 Aggregation-prone
191 Y H 0.3810 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
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 -0.0761 Soluble
199 V H 0.0000 Buried
200 P H -0.5980 Soluble
201 S H -0.8920 Soluble
202 S H -0.8328 Soluble
203 S H -0.5986 Soluble
204 L H -0.8112 Soluble
205 G H -0.9675 Soluble
206 T H -0.7005 Soluble
207 Q H -0.9506 Soluble
208 T H -0.3511 Soluble
209 Y H -0.1180 Soluble
210 I H -0.1981 Soluble
211 C H 0.0000 Buried
212 N H -1.3312 Soluble
213 V H 0.0000 Buried
214 N H -2.2258 Soluble
215 H H 0.0000 Buried
216 K H -2.8079 Soluble
217 P H -1.6125 Soluble
218 S H -1.8664 Soluble
219 N H -2.6309 Soluble
220 T H -2.2419 Soluble
221 K H -2.7507 Soluble
222 V H -1.5959 Soluble
223 D H -2.2273 Soluble
224 K H -1.4161 Soluble
1 E L -1.6921 Soluble
2 I L 0.0000 Buried
3 V L 0.5665 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.7490 Soluble
6 Q L 0.0000 Buried
7 S L -0.7768 Soluble
8 P L -0.3414 Soluble
9 A L -0.4653 Soluble
10 T L -0.4643 Soluble
11 L L -0.3636 Soluble
12 S L -0.7777 Soluble
13 L L -1.1398 Soluble
14 S L -1.5264 Soluble
15 P L -1.7428 Soluble
16 G L -1.7433 Soluble
17 E L -2.4641 Soluble
18 R L -2.5766 Soluble
19 A L 0.0000 Buried
20 T L -0.6683 Soluble
21 L L 0.0000 Buried
22 S L -0.9619 Soluble
23 C L 0.0000 Buried
24 R L -2.4639 Soluble
25 A L 0.0000 Buried
26 S L -1.1042 Soluble
27 Q L -1.7808 Soluble
28 S L -1.2769 Soluble
29 V L 0.0000 Buried
36 S L -0.6080 Soluble
37 S L -0.4807 Soluble
38 Y L 0.2543 Aggregation-prone
39 L L 0.0000 Buried
40 A L -0.2594 Soluble
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 -1.4248 Soluble
46 P L -1.2962 Soluble
47 G L -1.3492 Soluble
48 Q L -2.0733 Soluble
49 A L -1.4016 Soluble
50 P L 0.0000 Buried
51 R L -1.6323 Soluble
52 L L -0.8045 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.9664 Soluble
56 D L -1.7179 Soluble
57 A L 0.0000 Buried
65 S L -1.4219 Soluble
66 N L -2.0822 Soluble
67 R L -1.7274 Soluble
68 A L -1.2920 Soluble
69 T L -0.5698 Soluble
70 G L -0.5431 Soluble
71 I L -0.5490 Soluble
72 P L -0.3817 Soluble
74 A L -0.3819 Soluble
75 R L -0.8436 Soluble
76 F L 0.0000 Buried
77 S L -0.6766 Soluble
78 G L 0.0000 Buried
79 S L -1.0293 Soluble
80 G L -1.2992 Soluble
83 S L -1.1288 Soluble
84 G L -1.1321 Soluble
85 T L -1.9189 Soluble
86 D L -2.4949 Soluble
87 F L 0.0000 Buried
88 T L -0.8279 Soluble
89 L L 0.0000 Buried
90 T L -0.6118 Soluble
91 I L 0.0000 Buried
92 S L -1.4024 Soluble
93 S L -1.7074 Soluble
94 L L 0.0000 Buried
95 E L -2.0444 Soluble
96 P L -2.2188 Soluble
97 E L -2.2752 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.5718 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L -0.5119 Soluble
108 S L -0.5208 Soluble
109 N L -1.3458 Soluble
114 W L -0.6225 Soluble
115 P L -0.9857 Soluble
116 R L -0.6836 Soluble
117 T L -0.4963 Soluble
118 F L -0.1579 Soluble
119 G L 0.0000 Buried
120 Q L -1.5097 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2215 Soluble
124 V L 0.0000 Buried
125 E L -1.1781 Soluble
126 I L 0.0000 Buried
127 K L -1.2600 Soluble
128 R L -0.9544 Soluble
129 T L -0.0294 Soluble
130 V L 0.4105 Aggregation-prone
131 A L -0.0300 Soluble
132 A L -0.1522 Soluble
133 P L 0.0000 Buried
134 S L -0.2178 Soluble
135 V L 0.0000 Buried
136 F L 0.1274 Aggregation-prone
137 I L 0.0470 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7123 Soluble
140 P L -0.6107 Soluble
141 S L -1.4107 Soluble
142 D L -2.5831 Soluble
143 E L -2.4646 Soluble
144 Q L 0.0000 Buried
145 L L -1.7931 Soluble
146 K L -2.6127 Soluble
147 S L -1.5358 Soluble
148 G L -1.3864 Soluble
149 T L -1.0130 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 -1.0161 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4297 Soluble
162 R L -2.4544 Soluble
163 E L -2.9037 Soluble
164 A L -2.1492 Soluble
165 K L -2.2709 Soluble
166 V L -1.2604 Soluble
167 Q L -0.6774 Soluble
168 W L 0.0000 Buried
169 K L -0.9009 Soluble
170 V L 0.0000 Buried
171 D L -2.3090 Soluble
172 N L -1.7382 Soluble
173 A L -0.6373 Soluble
174 L L 0.2960 Aggregation-prone
175 Q L -0.2328 Soluble
176 S L -0.4579 Soluble
177 G L -0.8045 Soluble
178 N L -0.6313 Soluble
179 S L -0.8742 Soluble
180 Q L -0.9822 Soluble
181 E L -1.4832 Soluble
182 S L -0.6349 Soluble
183 V L -0.6917 Soluble
184 T L 0.0000 Buried
185 E L -2.1617 Soluble
186 Q L 0.0000 Buried
187 D L -2.1598 Soluble
188 S L -2.3667 Soluble
189 K L -2.7959 Soluble
190 D L -2.2691 Soluble
191 S L 0.0000 Buried
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 -0.4864 Soluble
199 L L 0.0000 Buried
200 T L -0.2176 Soluble
201 L L -0.4591 Soluble
202 S L -1.1913 Soluble
203 K L -2.1763 Soluble
204 A L -1.9789 Soluble
205 D L -2.7879 Soluble
206 Y L -2.6290 Soluble
207 E L -3.9299 Soluble
208 K L -3.7153 Soluble
209 H L -3.4511 Soluble
210 K L -3.3922 Soluble
211 V L -2.1892 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9176 Soluble
216 V L 0.0000 Buried
217 T L -1.1695 Soluble
218 H L -1.4523 Soluble
219 Q L -1.6350 Soluble
220 G L -0.3949 Soluble
221 L L -0.1805 Soluble
222 S L -0.4307 Soluble
223 S L -0.4255 Soluble
224 P L -0.4447 Soluble
225 V L -0.1055 Soluble
226 T L -0.4994 Soluble
227 K L -0.6622 Soluble
228 S L -0.7586 Soluble
229 F L 0.0000 Buried
230 N L -2.6676 Soluble
231 R L -3.4537 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 -0.8518 1.8371 CSV PDB
4.5 -0.9017 1.8115 CSV PDB
5.0 -0.9581 1.7816 CSV PDB
5.5 -1.0115 1.7515 CSV PDB
6.0 -1.0511 1.7245 CSV PDB
6.5 -1.0687 1.7029 CSV PDB
7.0 -1.0638 1.6862 CSV PDB
7.5 -1.0436 1.6721 CSV PDB
8.0 -1.0142 1.6594 CSV PDB
8.5 -0.977 1.6482 CSV PDB
9.0 -0.9317 1.6395 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH