Enlonstobart / 5ggr

A4DAB104_5ggr_A_B | Source PDB: 5ggr | Chains: A, B | Done
97.27
Yes
10 Å
Yes
Avg A4D Score
-0.7101
Max Score
1.4304
Min Score
-3.3797
Total Score
-298.95
Score CDR
-0.6554
Score non-CDR
-0.7158

Calculation Parameters

Chain Sequence(s) VQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) A (Heavy), B (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 -3.3797
Maximum Score 1.4304
Average Score -0.7101
Total Score -298.9481

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

Index Residue Chain A4D Score Classification
2 V A 1.1701 Aggregation-prone
3 Q A -0.1754 Soluble
4 L A 0.0000 Buried
5 V A 0.5678 Aggregation-prone
6 E A -0.0934 Soluble
7 S A -0.3533 Soluble
8 G A -0.6671 Soluble
9 G A -0.0422 Soluble
11 G A 0.7078 Aggregation-prone
12 V A 1.0448 Aggregation-prone
13 V A 0.0000 Buried
14 Q A -1.7533 Soluble
15 P A -2.1972 Soluble
16 G A -2.2592 Soluble
17 R A -2.7459 Soluble
18 S A -2.0771 Soluble
19 L A -1.3699 Soluble
20 R A -2.0762 Soluble
21 L A 0.0000 Buried
22 D A -0.9641 Soluble
23 C A 0.0000 Buried
24 K A -1.4481 Soluble
25 A A 0.0000 Buried
26 S A -0.1534 Soluble
27 G A 0.1987 Aggregation-prone
28 I A 0.3584 Aggregation-prone
29 T A -0.2455 Soluble
30 F A 0.0000 Buried
35 S A -1.2912 Soluble
36 N A -1.3411 Soluble
37 S A -1.1069 Soluble
38 G A -0.8950 Soluble
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7034 Soluble
45 A A -1.0886 Soluble
46 P A -0.8625 Soluble
47 G A -1.4911 Soluble
48 K A -2.4279 Soluble
49 G A -1.7285 Soluble
50 L A 0.0000 Buried
51 E A -1.3241 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 V A 0.0000 Buried
56 I A 0.0000 Buried
57 W A -0.3790 Soluble
58 Y A -0.6586 Soluble
59 D A -1.9189 Soluble
62 G A -1.2043 Soluble
63 S A -1.0805 Soluble
64 K A -1.3101 Soluble
65 R A -0.9292 Soluble
66 Y A -0.3184 Soluble
67 Y A -0.6741 Soluble
68 A A 0.0000 Buried
69 D A -2.6322 Soluble
70 S A -1.5754 Soluble
71 V A 0.0000 Buried
72 K A -2.5915 Soluble
74 G A -1.7781 Soluble
75 R A -1.6865 Soluble
76 F A 0.0000 Buried
77 T A -1.0241 Soluble
78 I A 0.0000 Buried
79 S A -0.5907 Soluble
80 R A -1.0196 Soluble
81 D A -1.5969 Soluble
82 N A -1.7055 Soluble
83 S A -1.3282 Soluble
84 K A -2.0575 Soluble
85 N A -1.6938 Soluble
86 T A 0.0000 Buried
87 L A 0.0000 Buried
88 F A -0.7695 Soluble
89 L A 0.0000 Buried
90 Q A -1.5753 Soluble
91 M A 0.0000 Buried
92 N A -1.8213 Soluble
93 S A -1.7950 Soluble
94 L A 0.0000 Buried
95 R A -3.1105 Soluble
96 A A -2.0249 Soluble
97 E A -2.4397 Soluble
98 D A 0.0000 Buried
99 T A -0.5673 Soluble
100 A A 0.0000 Buried
101 V A 0.6041 Aggregation-prone
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 T A 0.0000 Buried
107 N A -1.9448 Soluble
115 D A -2.2559 Soluble
116 D A -1.2006 Soluble
117 Y A 0.0526 Aggregation-prone
118 W A -0.2401 Soluble
119 G A -0.5154 Soluble
120 Q A -1.1072 Soluble
121 G A 0.0000 Buried
122 T A 0.5099 Aggregation-prone
123 L A 1.4304 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0777 Aggregation-prone
126 V A 0.0000 Buried
127 S A -0.7646 Soluble
128 S A -0.7349 Soluble
129 A A -0.4166 Soluble
130 S A -0.6520 Soluble
131 T A -0.6419 Soluble
132 K A -1.2634 Soluble
133 G A -1.4402 Soluble
134 P A 0.0000 Buried
135 S A -0.3159 Soluble
136 V A 0.0000 Buried
137 F A -0.5845 Soluble
138 P A -1.0431 Soluble
139 L A 0.0000 Buried
140 A A -0.7651 Soluble
141 P A -0.5424 Soluble
142 S A -0.4193 Soluble
143 S A -0.3931 Soluble
144 S A -0.7176 Soluble
145 G A -0.8938 Soluble
146 G A -0.9010 Soluble
147 T A -0.6669 Soluble
148 A A 0.0000 Buried
149 A A 0.0000 Buried
150 L A 0.0000 Buried
151 G A 0.0000 Buried
152 C A 0.0000 Buried
153 L A 0.0000 Buried
154 V A 0.0000 Buried
155 K A -0.3701 Soluble
156 D A -0.6951 Soluble
157 Y A 0.0000 Buried
158 F A 0.0000 Buried
159 P A -0.6947 Soluble
160 E A -1.0064 Soluble
161 P A -1.0033 Soluble
162 V A -0.7880 Soluble
163 T A -0.5867 Soluble
164 V A -0.3375 Soluble
165 S A -0.4235 Soluble
166 W A 0.0000 Buried
167 N A -0.9532 Soluble
168 S A -0.7368 Soluble
169 G A -0.6218 Soluble
170 A A -0.3253 Soluble
171 L A -0.0955 Soluble
172 T A -0.1751 Soluble
173 S A -0.1434 Soluble
174 G A -0.1505 Soluble
175 V A 0.2515 Aggregation-prone
176 H A -0.0597 Soluble
177 T A 0.0005 Aggregation-prone
178 F A 0.0000 Buried
179 P A -0.4043 Soluble
180 A A 0.2845 Aggregation-prone
181 V A 0.4755 Aggregation-prone
182 L A 0.9329 Aggregation-prone
183 Q A 0.1632 Aggregation-prone
184 S A -0.1074 Soluble
185 S A -0.2615 Soluble
186 G A -0.0469 Soluble
187 L A -0.1173 Soluble
188 Y A 0.1857 Aggregation-prone
189 S A 0.0000 Buried
190 L A 0.0000 Buried
191 S A 0.0000 Buried
192 S A 0.0000 Buried
193 V A 0.0000 Buried
194 V A 0.0000 Buried
195 T A -0.1399 Soluble
196 V A 0.0000 Buried
197 P A -0.5212 Soluble
198 S A -0.5853 Soluble
199 S A -0.5157 Soluble
200 S A -0.5022 Soluble
201 L A -0.7032 Soluble
202 G A -1.0585 Soluble
203 T A -0.6862 Soluble
204 Q A -0.9991 Soluble
205 T A -1.1864 Soluble
206 Y A 0.0000 Buried
207 I A -1.4774 Soluble
208 C A 0.0000 Buried
209 N A -1.4472 Soluble
210 V A 0.0000 Buried
211 N A -1.7770 Soluble
212 H A 0.0000 Buried
213 K A -2.8462 Soluble
214 P A -1.8343 Soluble
215 S A -1.9534 Soluble
216 N A -2.6296 Soluble
217 T A -2.0701 Soluble
218 K A -2.5086 Soluble
219 V A -1.4701 Soluble
220 D A -2.3989 Soluble
221 K A -2.0506 Soluble
222 K A -2.6115 Soluble
223 V A 0.0000 Buried
224 E A -2.4088 Soluble
225 P A -1.1629 Soluble
1 E B -1.7576 Soluble
2 I B -0.2849 Soluble
3 V B 0.7301 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.6774 Soluble
6 Q B 0.0000 Buried
7 S B -0.7624 Soluble
8 P B -0.2971 Soluble
9 A B -0.3856 Soluble
10 T B -0.3140 Soluble
11 L B -0.1575 Soluble
12 S B -0.6597 Soluble
13 L B 0.0000 Buried
14 S B -1.3396 Soluble
15 P B -1.7184 Soluble
16 G B -1.7091 Soluble
17 E B -2.4052 Soluble
18 R B -2.7100 Soluble
19 A B 0.0000 Buried
20 T B -0.6741 Soluble
21 L B 0.0000 Buried
22 S B -0.8852 Soluble
23 C B 0.0000 Buried
24 R B -2.2496 Soluble
25 A B 0.0000 Buried
26 S B -0.8317 Soluble
27 Q B -1.6088 Soluble
28 S B -1.1661 Soluble
29 V B 0.0000 Buried
36 S B -0.4773 Soluble
37 S B -0.2215 Soluble
38 Y B 0.5406 Aggregation-prone
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.0132 Soluble
45 K B -1.5244 Soluble
46 P B -1.3967 Soluble
47 G B -1.4658 Soluble
48 Q B -2.0537 Soluble
49 A B -1.2828 Soluble
50 P B 0.0000 Buried
51 R B -0.8472 Soluble
52 L B -0.3165 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.5024 Soluble
56 D B -0.9408 Soluble
57 A B 0.0000 Buried
65 S B -1.3408 Soluble
66 N B -1.8327 Soluble
67 R B -1.5290 Soluble
68 A B -1.0415 Soluble
69 T B -0.5682 Soluble
70 G B -0.5261 Soluble
71 I B -0.3651 Soluble
72 P B -0.3004 Soluble
74 A B -0.3342 Soluble
75 R B -0.7101 Soluble
76 F B 0.0000 Buried
77 S B -0.6222 Soluble
78 G B -0.7679 Soluble
79 S B -0.8819 Soluble
80 G B -1.0229 Soluble
83 S B -0.7919 Soluble
84 G B -0.9328 Soluble
85 T B -1.6177 Soluble
86 D B -2.0747 Soluble
87 F B 0.0000 Buried
88 T B -0.7373 Soluble
89 L B 0.0000 Buried
90 T B -0.6235 Soluble
91 I B 0.0000 Buried
92 S B -1.4495 Soluble
93 S B -1.5972 Soluble
94 L B 0.0000 Buried
95 E B -2.2345 Soluble
96 P B -1.5642 Soluble
97 E B -2.2934 Soluble
98 D B 0.0000 Buried
99 F B -0.7300 Soluble
100 A B 0.0000 Buried
101 V B -0.4584 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B -0.2335 Soluble
108 S B -0.3149 Soluble
109 N B -1.2349 Soluble
114 W B -0.7414 Soluble
115 P B -0.9009 Soluble
116 R B 0.0000 Buried
117 T B -0.4250 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.5765 Soluble
121 G B -1.0783 Soluble
122 T B 0.0000 Buried
123 K B -0.8623 Soluble
124 V B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.4816 Soluble
127 K B -1.2097 Soluble
128 R B -0.7083 Soluble
129 T B 0.2119 Aggregation-prone
130 V B 1.2304 Aggregation-prone
131 A B 0.4745 Aggregation-prone
132 A B 0.0049 Aggregation-prone
133 P B -0.1068 Soluble
134 S B -0.2652 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.7540 Soluble
140 P B 0.0000 Buried
141 S B 0.0000 Buried
142 D B -2.5195 Soluble
143 E B -2.3418 Soluble
144 Q B 0.0000 Buried
145 L B -1.8147 Soluble
146 K B -2.5576 Soluble
147 S B -1.5925 Soluble
148 G B -1.1941 Soluble
149 T B -1.1803 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.9266 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.2416 Soluble
162 R B -2.2161 Soluble
163 E B -2.9163 Soluble
164 A B -2.0892 Soluble
165 K B -2.3538 Soluble
166 V B -1.1057 Soluble
167 Q B -0.8074 Soluble
168 W B 0.0000 Buried
169 K B -0.7773 Soluble
170 V B 0.0000 Buried
171 D B -1.7020 Soluble
172 N B -1.5213 Soluble
173 A B -0.2434 Soluble
174 L B 0.7332 Aggregation-prone
175 Q B -0.3332 Soluble
176 S B -0.7203 Soluble
177 G B -1.0245 Soluble
178 N B -1.1023 Soluble
179 S B -1.3335 Soluble
180 Q B -1.5913 Soluble
181 E B -2.1759 Soluble
182 S B -1.0669 Soluble
183 V B -0.8314 Soluble
184 T B -1.0024 Soluble
185 E B -2.0878 Soluble
186 Q B -1.7826 Soluble
187 D B -1.9314 Soluble
188 S B -1.6919 Soluble
189 K B -2.2469 Soluble
190 D B -1.8091 Soluble
191 S B -1.6901 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7480 Soluble
199 L B 0.0000 Buried
200 T B -0.3777 Soluble
201 L B 0.0000 Buried
202 S B -1.0104 Soluble
203 K B -1.7393 Soluble
204 A B -1.6028 Soluble
205 D B -2.2725 Soluble
206 Y B 0.0000 Buried
207 E B -2.9221 Soluble
208 K B -3.2478 Soluble
209 H B -2.9297 Soluble
210 K B -3.3797 Soluble
211 V B -1.9626 Soluble
212 Y B 0.0000 Buried
213 A B -0.8109 Soluble
214 C B 0.0000 Buried
215 E B -0.7389 Soluble
216 V B 0.0000 Buried
217 T B -1.1341 Soluble
218 H B 0.0000 Buried
219 Q B -1.4880 Soluble
220 G B -0.4634 Soluble
221 L B -0.1319 Soluble
222 S B -0.3936 Soluble
223 S B -0.3214 Soluble
224 P B -0.3480 Soluble
225 V B 0.4738 Aggregation-prone
226 T B -0.1562 Soluble
227 K B -0.2893 Soluble
228 S B -0.5092 Soluble
229 F B -1.0665 Soluble
230 N B -2.5340 Soluble
231 R B -3.1711 Soluble
232 G B -1.8073 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
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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 -0.6915 2.1445 CSV PDB
4.5 -0.7371 2.1408 CSV PDB
5.0 -0.7901 2.1357 CSV PDB
5.5 -0.8408 2.1299 CSV PDB
6.0 -0.8784 2.1245 CSV PDB
6.5 -0.8936 2.1203 CSV PDB
7.0 -0.8863 2.1178 CSV PDB
7.5 -0.864 2.1167 CSV PDB
8.0 -0.8333 2.1164 CSV PDB
8.5 -0.7962 2.1162 CSV PDB
9.0 -0.7528 2.1162 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH