Gotistobart / 6xy2

A4DAB135_6xy2_H_L | Source PDB: 6xy2 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7061
Max Score
1.5833
Min Score
-3.9488
Total Score
-307.87
Score CDR
0.0137
Score non-CDR
-0.8036

Calculation Parameters

Chain Sequence(s) VQLQESGPGLVKPSETLSLTCTVSGFSLTSYGLSWIRQPPGKGLEWIGYIWYDGNTNFHSPLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCAKTEGHYYGSNYGYYALDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDIQMTQSPSSLSASVGDRVTITCRASENIYSNLAWYQQKQGKAPKLLLYAATNLQDGVPSRFSGSGSGTDYTLTISSLQPEDFATYFCQHLWGTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.9488
Maximum Score 1.5833
Average Score -0.7061
Total Score -307.8742

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

Index Residue Chain A4D Score Classification
2 V H 1.1303 Aggregation-prone
3 Q H -0.6344 Soluble
4 L H 0.0000 Buried
5 Q H -1.5786 Soluble
6 E H 0.0000 Buried
7 S H -0.6469 Soluble
8 G H -0.3141 Soluble
9 P H -0.4242 Soluble
11 G H -0.3974 Soluble
12 L H -0.2219 Soluble
13 V H -0.8626 Soluble
14 K H -1.8380 Soluble
15 P H -1.3788 Soluble
16 S H -1.3665 Soluble
17 E H -1.8942 Soluble
18 T H -1.2994 Soluble
19 L H 0.0000 Buried
20 S H -0.6798 Soluble
21 L H 0.0000 Buried
22 T H -0.6415 Soluble
23 C H 0.0000 Buried
24 T H -1.2465 Soluble
25 V H 0.0000 Buried
26 S H -0.6933 Soluble
27 G H -0.1038 Soluble
28 F H 0.0000 Buried
29 S H 0.5487 Aggregation-prone
30 L H 1.4714 Aggregation-prone
35 T H 0.6630 Aggregation-prone
36 S H 0.1593 Aggregation-prone
37 Y H 0.2422 Aggregation-prone
38 G H 0.0000 Buried
39 L H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H -0.5674 Soluble
44 Q H -0.9175 Soluble
45 P H -0.9561 Soluble
46 P H -1.0508 Soluble
47 G H -1.6380 Soluble
48 K H -2.3958 Soluble
49 G H -1.6713 Soluble
50 L H 0.0000 Buried
51 E H -1.0629 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H -0.3013 Soluble
56 I H 0.0000 Buried
57 W H -0.2386 Soluble
58 Y H 0.3923 Aggregation-prone
59 D H -1.5582 Soluble
63 G H -1.2439 Soluble
64 N H -1.6190 Soluble
65 T H -1.2883 Soluble
66 N H -1.8166 Soluble
67 F H 0.0000 Buried
68 H H -1.8643 Soluble
69 S H -1.3715 Soluble
70 P H -1.0960 Soluble
71 L H 0.0000 Buried
72 K H -1.7138 Soluble
74 S H -1.1284 Soluble
75 R H -1.1558 Soluble
76 V H 0.0000 Buried
77 T H -0.6905 Soluble
78 I H 0.0000 Buried
79 S H -0.4849 Soluble
80 V H -0.5653 Soluble
81 D H -1.8656 Soluble
82 T H -1.3557 Soluble
83 S H -1.6225 Soluble
84 K H -2.5272 Soluble
85 N H -2.0731 Soluble
86 Q H -1.6647 Soluble
87 F H 0.0000 Buried
88 S H -0.5059 Soluble
89 L H 0.0000 Buried
90 K H -0.9597 Soluble
91 L H 0.0000 Buried
92 S H -1.0169 Soluble
93 S H -1.1366 Soluble
94 V H 0.0000 Buried
95 T H -0.5293 Soluble
96 A H -0.1492 Soluble
97 A H 0.0561 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0414 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.0765 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 K H 0.0000 Buried
107 T H 0.0000 Buried
108 E H -0.2663 Soluble
109 G H 0.4611 Aggregation-prone
110 H H 0.8176 Aggregation-prone
111 Y H 1.5833 Aggregation-prone
111A Y H 0.8627 Aggregation-prone
111B G H -0.1452 Soluble
111C S H -0.4077 Soluble
112C N H -0.4464 Soluble
112B Y H 1.0928 Aggregation-prone
112A G H 0.8359 Aggregation-prone
112 Y H 0.9778 Aggregation-prone
113 Y H 0.7336 Aggregation-prone
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 D H 0.1045 Aggregation-prone
117 Y H 0.5835 Aggregation-prone
118 W H -0.3938 Soluble
119 G H 0.0000 Buried
120 Q H -1.9853 Soluble
121 G H -1.0935 Soluble
122 T H -0.3617 Soluble
123 L H 0.0004 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1572 Soluble
126 V H 0.0000 Buried
127 S H -0.6165 Soluble
128 S H -0.7502 Soluble
129 A H -0.5333 Soluble
130 S H -0.7201 Soluble
131 T H -0.9872 Soluble
132 K H -1.6857 Soluble
133 G H -1.7459 Soluble
134 P H -0.8184 Soluble
135 S H -0.4454 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1908 Soluble
139 L H 0.0000 Buried
140 A H -1.1980 Soluble
141 P H 0.0000 Buried
142 S H -1.0327 Soluble
143 S H -1.4089 Soluble
144 K H -2.0529 Soluble
145 S H -1.3174 Soluble
146 T H -0.8693 Soluble
147 G H -0.8031 Soluble
148 T H -0.7358 Soluble
149 A H 0.0000 Buried
150 A H 0.0000 Buried
151 L H 0.0000 Buried
152 G H 0.0000 Buried
153 C H 0.0000 Buried
154 L H 0.0000 Buried
155 V H 0.0000 Buried
156 K H 0.0000 Buried
157 D H -0.5482 Soluble
158 Y H 0.0000 Buried
159 F H -0.4123 Soluble
160 P H 0.0000 Buried
161 E H -0.4634 Soluble
162 P H -0.6636 Soluble
163 V H -0.6797 Soluble
164 T H -0.5438 Soluble
165 V H -0.4114 Soluble
166 S H -0.4199 Soluble
167 W H 0.0000 Buried
168 N H -0.8167 Soluble
169 S H -0.6992 Soluble
170 G H -0.4959 Soluble
171 A H -0.2142 Soluble
172 L H 0.0247 Aggregation-prone
173 T H -0.1928 Soluble
174 S H -0.2417 Soluble
175 G H -0.2736 Soluble
176 V H 0.1020 Aggregation-prone
177 H H -0.1439 Soluble
178 T H 0.0207 Aggregation-prone
179 F H 0.0000 Buried
180 P H -0.4529 Soluble
181 A H 0.2328 Aggregation-prone
182 V H 0.4939 Aggregation-prone
183 L H 1.3175 Aggregation-prone
184 Q H 0.2223 Aggregation-prone
185 S H -0.0516 Soluble
186 S H -0.2047 Soluble
187 G H 0.1400 Aggregation-prone
188 L H 0.0769 Aggregation-prone
189 Y H 0.4355 Aggregation-prone
190 S H 0.2818 Aggregation-prone
191 L H 0.0000 Buried
192 S H 0.0000 Buried
193 S H 0.0000 Buried
194 V H 0.0000 Buried
195 V H 0.0000 Buried
196 T H -0.1726 Soluble
197 V H 0.0000 Buried
198 P H -0.4355 Soluble
199 S H -0.6316 Soluble
200 S H -0.4661 Soluble
201 S H -0.5226 Soluble
202 L H -0.7245 Soluble
203 G H -1.0479 Soluble
204 T H -0.7230 Soluble
205 Q H -1.3443 Soluble
206 T H -1.1973 Soluble
207 Y H 0.0000 Buried
208 I H -1.3529 Soluble
209 C H 0.0000 Buried
210 N H -1.4869 Soluble
211 V H 0.0000 Buried
212 N H -1.9084 Soluble
213 H H 0.0000 Buried
214 K H -2.7954 Soluble
215 P H -1.6889 Soluble
216 S H -1.9316 Soluble
217 N H -2.6512 Soluble
218 T H -2.1250 Soluble
219 K H -2.6776 Soluble
220 V H -1.6107 Soluble
221 D H -2.5639 Soluble
222 K H -2.2334 Soluble
223 R H -2.7017 Soluble
224 V H 0.0000 Buried
225 E H -2.8747 Soluble
226 P H -1.9594 Soluble
227 K H -2.5243 Soluble
228 S H -1.3635 Soluble
1 D L -2.4246 Soluble
2 I L -1.6937 Soluble
3 Q L -2.2666 Soluble
4 M L 0.0000 Buried
5 T L -1.3209 Soluble
6 Q L 0.0000 Buried
7 S L -0.9007 Soluble
8 P L -0.6168 Soluble
9 S L -0.8003 Soluble
10 S L -0.6305 Soluble
11 L L -0.4370 Soluble
12 S L -0.6965 Soluble
13 A L -1.0389 Soluble
14 S L -1.1933 Soluble
15 V L -0.9561 Soluble
16 G L -1.2726 Soluble
17 D L -2.0528 Soluble
18 R L -2.5055 Soluble
19 V L 0.0000 Buried
20 T L -0.5442 Soluble
21 I L 0.0000 Buried
22 T L -0.7852 Soluble
23 C L 0.0000 Buried
24 R L -2.7532 Soluble
25 A L 0.0000 Buried
26 S L -2.2108 Soluble
27 E L -2.5139 Soluble
28 N L -1.2307 Soluble
29 I L 0.0000 Buried
36 Y L 1.0086 Aggregation-prone
37 S L 0.4550 Aggregation-prone
38 N L 0.0000 Buried
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -1.2738 Soluble
44 Q L 0.0000 Buried
45 K L -3.1704 Soluble
46 Q L -2.9286 Soluble
47 G L -2.3911 Soluble
48 K L -3.1568 Soluble
49 A L -1.9321 Soluble
50 P L 0.0000 Buried
51 K L -1.6480 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 L L 0.0000 Buried
55 Y L 0.2500 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 T L -0.2496 Soluble
66 N L -0.2635 Soluble
67 L L -0.2917 Soluble
68 Q L -1.2111 Soluble
69 D L -2.0699 Soluble
70 G L -1.3752 Soluble
71 V L 0.0000 Buried
72 P L -0.7058 Soluble
74 S L -0.7036 Soluble
75 R L -0.9434 Soluble
76 F L 0.0000 Buried
77 S L -0.3345 Soluble
78 G L -0.2750 Soluble
79 S L -0.6194 Soluble
80 G L -0.8477 Soluble
83 S L -0.6105 Soluble
84 G L -0.7115 Soluble
85 T L -1.5348 Soluble
86 D L -1.7865 Soluble
87 Y L 0.0000 Buried
88 T L -0.6813 Soluble
89 L L 0.0000 Buried
90 T L -0.6875 Soluble
91 I L 0.0000 Buried
92 S L -1.5645 Soluble
93 S L -1.4529 Soluble
94 L L 0.0000 Buried
95 Q L -1.5762 Soluble
96 P L -2.1342 Soluble
97 E L -2.7150 Soluble
98 D L 0.0000 Buried
99 F L -1.7488 Soluble
100 A L 0.0000 Buried
101 T L -1.1499 Soluble
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 H L 0.0000 Buried
107 L L 0.0000 Buried
108 W L 0.9000 Aggregation-prone
109 G L -0.3165 Soluble
114 T L -0.6510 Soluble
115 P L 0.0000 Buried
116 Y L -0.2204 Soluble
117 T L -0.6816 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8917 Soluble
121 G L -1.2273 Soluble
122 T L 0.0000 Buried
123 K L -1.2949 Soluble
124 L L 0.0000 Buried
125 E L -1.1164 Soluble
126 I L 0.0000 Buried
127 K L -1.4681 Soluble
128 R L -1.2824 Soluble
129 T L 0.1094 Aggregation-prone
130 V L 1.1745 Aggregation-prone
131 A L 0.4671 Aggregation-prone
132 A L 0.0807 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1209 Soluble
135 V L 0.0550 Aggregation-prone
136 F L 0.2200 Aggregation-prone
137 I L 0.1304 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5748 Soluble
140 P L 0.0000 Buried
141 S L -1.8354 Soluble
142 D L -3.1080 Soluble
143 E L -2.9213 Soluble
144 Q L 0.0000 Buried
145 L L -2.3590 Soluble
146 K L -2.7764 Soluble
147 S L -1.7126 Soluble
148 G L -1.2564 Soluble
149 T L -1.0818 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 -0.9429 Soluble
159 F L 0.0000 Buried
160 Y L -1.0427 Soluble
161 P L -1.6970 Soluble
162 R L -3.1944 Soluble
163 E L -3.2572 Soluble
164 A L -2.4157 Soluble
165 K L -2.5078 Soluble
166 V L -1.2405 Soluble
167 Q L -0.7899 Soluble
168 W L 0.0000 Buried
169 K L -0.7046 Soluble
170 V L 0.0000 Buried
171 D L -1.4777 Soluble
172 N L -1.4453 Soluble
173 A L -0.4027 Soluble
174 L L 0.0444 Aggregation-prone
175 Q L -0.5901 Soluble
176 S L -0.7196 Soluble
177 G L -1.2383 Soluble
178 N L -1.5884 Soluble
179 S L -1.7739 Soluble
180 Q L -2.1242 Soluble
181 E L -2.1767 Soluble
182 S L -1.0739 Soluble
183 V L -0.7087 Soluble
184 T L -1.0080 Soluble
185 E L -2.2581 Soluble
186 Q L 0.0000 Buried
187 D L -2.1736 Soluble
188 S L -2.4968 Soluble
189 K L -2.8911 Soluble
190 D L -2.3642 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 -0.9420 Soluble
199 L L 0.0000 Buried
200 T L -0.7114 Soluble
201 L L -1.0036 Soluble
202 S L -1.5981 Soluble
203 K L -2.4050 Soluble
204 A L -2.2927 Soluble
205 D L -3.2128 Soluble
206 Y L 0.0000 Buried
207 E L -3.9488 Soluble
208 K L -3.8598 Soluble
209 H L -3.2289 Soluble
210 K L -3.1454 Soluble
211 V L -1.3540 Soluble
212 Y L 0.0000 Buried
213 A L -0.7624 Soluble
214 C L 0.0000 Buried
215 E L -1.1421 Soluble
216 V L 0.0000 Buried
217 T L -1.1834 Soluble
218 H L 0.0000 Buried
219 Q L -1.6869 Soluble
220 G L -0.2303 Soluble
221 L L -0.1640 Soluble
222 S L -0.4752 Soluble
223 S L -0.4291 Soluble
224 P L -0.6320 Soluble
225 V L -0.1439 Soluble
226 T L -0.5709 Soluble
227 K L -0.7832 Soluble
228 S L -0.7362 Soluble
229 F L -0.9484 Soluble
230 N L -2.0365 Soluble
231 R L -2.1723 Soluble
232 G L -1.5244 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
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 -0.7926 2.9531 CSV PDB
4.5 -0.835 2.9214 CSV PDB
5.0 -0.8841 2.8776 CSV PDB
5.5 -0.9286 2.8291 CSV PDB
6.0 -0.9561 2.7833 CSV PDB
6.5 -0.9584 2.7478 CSV PDB
7.0 -0.9378 2.7273 CSV PDB
7.5 -0.903 2.7183 CSV PDB
8.0 -0.8604 2.715 CSV PDB
8.5 -0.8121 2.7136 CSV PDB
9.0 -0.7578 2.7123 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH