Maridebart / 6dkj

A4DAB165_6dkj_H_L | Source PDB: 6dkj | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7169
Max Score
1.2593
Min Score
-3.3462
Total Score
-311.87
Score CDR
-0.4661
Score non-CDR
-0.7473

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSNYGMHWVRQAPGEGLEWVAAIWFDASDKYYADAVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDQAIFGVVPDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSEIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGAATRATGIPARVSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.3462
Maximum Score 1.2593
Average Score -0.7169
Total Score -311.8674

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

Index Residue Chain A4D Score Classification
1 Q H -1.6784 Soluble
2 V H 0.0000 Buried
3 Q H -1.2956 Soluble
4 L H 0.0000 Buried
5 V H 1.1250 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2948 Soluble
8 G H -0.9525 Soluble
9 G H -0.5472 Soluble
11 G H 0.0095 Aggregation-prone
12 V H 0.4138 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.3215 Soluble
15 P H -1.7660 Soluble
16 G H -2.0008 Soluble
17 R H -2.5891 Soluble
18 S H -1.9403 Soluble
19 L H -1.3938 Soluble
20 R H -2.0580 Soluble
21 L H 0.0000 Buried
22 S H -0.3746 Soluble
23 C H 0.0000 Buried
24 A H -0.0692 Soluble
25 A H 0.0000 Buried
26 S H -0.8380 Soluble
27 G H -1.2968 Soluble
28 F H -0.7544 Soluble
29 T H -0.5603 Soluble
30 F H 0.0000 Buried
35 S H -1.0109 Soluble
36 N H -1.1197 Soluble
37 Y H -0.0713 Soluble
38 G H 0.0000 Buried
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 -0.8525 Soluble
45 A H -1.2190 Soluble
46 P H -0.9968 Soluble
47 G H -1.5842 Soluble
48 E H -2.4073 Soluble
49 G H -1.4680 Soluble
50 L H 0.0000 Buried
51 E H -1.1023 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.0846 Soluble
58 F H -0.1859 Soluble
59 D H -1.5079 Soluble
62 A H -1.0693 Soluble
63 S H -1.1175 Soluble
64 D H -1.5739 Soluble
65 K H -0.9866 Soluble
66 Y H -0.5029 Soluble
67 Y H -0.7900 Soluble
68 A H -1.5314 Soluble
69 D H -2.6222 Soluble
70 A H -1.4577 Soluble
71 V H 0.0000 Buried
72 K H -2.5443 Soluble
74 G H -1.7402 Soluble
75 R H -1.3071 Soluble
76 F H 0.0000 Buried
77 T H -0.8142 Soluble
78 I H 0.0000 Buried
79 S H -0.6336 Soluble
80 R H -0.9930 Soluble
81 D H -1.6719 Soluble
82 N H -1.9053 Soluble
83 S H -1.5678 Soluble
84 K H -2.2972 Soluble
85 N H -1.6090 Soluble
86 T H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.4728 Soluble
89 L H 0.0000 Buried
90 Q H -1.1398 Soluble
91 M H 0.0000 Buried
92 N H -1.8070 Soluble
93 S H -1.6649 Soluble
94 L H 0.0000 Buried
95 R H -2.3196 Soluble
96 A H -1.5700 Soluble
97 E H -2.1759 Soluble
98 D H 0.0000 Buried
99 T H -0.6594 Soluble
100 A H 0.0000 Buried
101 V H 0.2049 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 R H -0.1381 Soluble
107 D H 0.0000 Buried
108 Q H -0.1127 Soluble
109 A H 0.3127 Aggregation-prone
110 I H 0.8328 Aggregation-prone
111 F H 0.9224 Aggregation-prone
112 G H 0.0000 Buried
113 V H 0.2546 Aggregation-prone
114 V H 0.0000 Buried
115 P H 0.0000 Buried
116 D H -0.4246 Soluble
117 Y H -0.1411 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1683 Soluble
121 G H -0.3449 Soluble
122 T H 0.0019 Aggregation-prone
123 L H 0.1549 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.6090 Soluble
128 S H -0.3736 Soluble
129 A H -0.3360 Soluble
130 S H -0.4706 Soluble
131 T H -0.6884 Soluble
132 K H -1.1579 Soluble
133 G H -1.4119 Soluble
134 P H 0.0000 Buried
135 S H -0.4712 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1157 Soluble
139 L H 0.0000 Buried
140 A H -1.3032 Soluble
141 P H 0.0000 Buried
142 S H -1.0764 Soluble
143 S H -0.6754 Soluble
144 K H -1.0007 Soluble
145 S H 0.0000 Buried
146 T H -0.6713 Soluble
147 S H -0.6876 Soluble
148 G H -0.8120 Soluble
149 G H -0.8851 Soluble
150 T H -0.6076 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
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 0.0000 Buried
159 D H -0.3460 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4337 Soluble
164 P H -0.8315 Soluble
165 V H -0.8628 Soluble
166 T H -0.7681 Soluble
167 V H -0.3042 Soluble
168 S H -0.4670 Soluble
169 W H 0.0000 Buried
170 N H -0.6907 Soluble
171 S H -0.6627 Soluble
172 G H -0.5138 Soluble
173 A H -0.2284 Soluble
174 L H 0.0252 Aggregation-prone
175 T H -0.1863 Soluble
176 S H -0.2279 Soluble
177 G H -0.5748 Soluble
178 V H 0.1169 Aggregation-prone
179 H H -0.3815 Soluble
180 T H -0.2137 Soluble
181 F H 0.0000 Buried
182 P H -0.4528 Soluble
183 A H 0.0866 Aggregation-prone
184 V H 0.4974 Aggregation-prone
185 L H 1.2593 Aggregation-prone
186 Q H 0.2173 Aggregation-prone
187 S H -0.0839 Soluble
188 S H -0.1636 Soluble
189 G H 0.0864 Aggregation-prone
190 L H 0.1324 Aggregation-prone
191 Y H 0.4247 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 -0.1877 Soluble
199 V H 0.0000 Buried
200 P H -0.6320 Soluble
201 S H -0.5942 Soluble
202 S H -0.5937 Soluble
203 S H -0.5863 Soluble
204 L H -0.8271 Soluble
205 G H -0.9731 Soluble
206 T H -0.7151 Soluble
207 Q H -1.2211 Soluble
208 T H -1.0559 Soluble
209 Y H 0.0000 Buried
210 I H -1.1363 Soluble
211 C H 0.0000 Buried
212 N H -1.5630 Soluble
213 V H 0.0000 Buried
214 N H -2.5386 Soluble
215 H H 0.0000 Buried
216 K H -2.8970 Soluble
217 P H -1.7152 Soluble
218 S H -1.9131 Soluble
219 N H -2.6554 Soluble
220 T H -2.2336 Soluble
221 K H -2.9356 Soluble
222 V H -1.7029 Soluble
223 D H -2.5183 Soluble
224 K H -2.0271 Soluble
225 K H -2.1713 Soluble
226 V H 0.0000 Buried
227 E H -2.7688 Soluble
228 P H -1.9625 Soluble
229 K H -2.5236 Soluble
230 S H -1.2831 Soluble
1 E L -1.8886 Soluble
2 I L -0.5229 Soluble
3 V L 0.5677 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.6938 Soluble
6 Q L -1.0477 Soluble
7 S L -0.7087 Soluble
8 P L -0.3372 Soluble
9 A L -0.2218 Soluble
10 T L -0.1009 Soluble
11 L L -0.0964 Soluble
12 S L -0.6618 Soluble
13 V L 0.0000 Buried
14 S L -1.9761 Soluble
15 P L -1.8774 Soluble
16 G L -2.1178 Soluble
17 E L -3.1854 Soluble
18 R L -3.0762 Soluble
19 A L 0.0000 Buried
20 T L -0.7560 Soluble
21 L L 0.0000 Buried
22 S L -1.0185 Soluble
23 C L 0.0000 Buried
24 R L -2.5238 Soluble
25 A L 0.0000 Buried
26 S L -1.1109 Soluble
27 Q L -1.8031 Soluble
28 S L -1.5630 Soluble
29 V L 0.0000 Buried
36 S L -1.0764 Soluble
37 S L -0.8644 Soluble
38 N L -0.8931 Soluble
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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.3118 Soluble
46 P L -1.3059 Soluble
47 G L -1.3609 Soluble
48 Q L -1.9710 Soluble
49 A L -1.4086 Soluble
50 P L 0.0000 Buried
51 R L -1.6586 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0890 Soluble
56 G L -0.3675 Soluble
57 A L 0.0000 Buried
65 A L -0.3657 Soluble
66 T L -0.3769 Soluble
67 R L -0.8161 Soluble
68 A L -0.6448 Soluble
69 T L -0.4321 Soluble
70 G L -0.5186 Soluble
71 I L -0.4843 Soluble
72 P L -0.3729 Soluble
74 A L -0.3655 Soluble
75 R L -0.7627 Soluble
76 V L 0.0000 Buried
77 S L -0.4478 Soluble
78 G L -0.3581 Soluble
79 S L -0.6876 Soluble
80 G L -1.2361 Soluble
83 S L -1.3007 Soluble
84 G L -1.4816 Soluble
85 T L -2.0813 Soluble
86 E L -2.8871 Soluble
87 F L 0.0000 Buried
88 T L -0.8759 Soluble
89 L L 0.0000 Buried
90 T L -0.6388 Soluble
91 I L 0.0000 Buried
92 S L -1.6190 Soluble
93 S L -1.9606 Soluble
94 L L 0.0000 Buried
95 Q L -1.8734 Soluble
96 S L -1.3207 Soluble
97 E L -1.8207 Soluble
98 D L 0.0000 Buried
99 F L -0.5109 Soluble
100 A L 0.0000 Buried
101 V L 0.0411 Aggregation-prone
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 Y L -0.5164 Soluble
108 N L -1.3683 Soluble
109 N L -1.6055 Soluble
114 W L -0.7695 Soluble
115 P L -0.8810 Soluble
116 L L 0.0000 Buried
117 T L 0.0000 Buried
118 F L 0.1181 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.7715 Soluble
121 G L -0.6270 Soluble
122 T L 0.0000 Buried
123 K L -0.2725 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -1.0517 Soluble
127 K L -1.7843 Soluble
128 R L -1.2584 Soluble
129 T L -0.2212 Soluble
130 V L 0.2586 Aggregation-prone
131 A L -0.0843 Soluble
132 A L -0.1485 Soluble
133 P L 0.0000 Buried
134 S L -0.1952 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5293 Soluble
140 P L 0.0000 Buried
141 S L -1.9268 Soluble
142 D L -3.2734 Soluble
143 E L -3.2981 Soluble
144 Q L 0.0000 Buried
145 L L -2.3475 Soluble
146 K L -2.9721 Soluble
147 S L -1.8902 Soluble
148 G L -1.3297 Soluble
149 T L -1.0961 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 -0.3982 Soluble
158 N L -0.9448 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5791 Soluble
162 R L -2.5561 Soluble
163 E L -2.9813 Soluble
164 A L -2.1993 Soluble
165 K L -2.2888 Soluble
166 V L -1.0744 Soluble
167 Q L -0.7978 Soluble
168 W L 0.0000 Buried
169 K L -0.6201 Soluble
170 V L 0.0000 Buried
171 D L -1.6804 Soluble
172 N L -1.4507 Soluble
173 A L -0.2268 Soluble
174 L L 0.6362 Aggregation-prone
175 Q L -0.1958 Soluble
176 S L -0.4385 Soluble
177 G L -0.8716 Soluble
178 N L -1.0777 Soluble
179 S L -1.2720 Soluble
180 Q L -1.5111 Soluble
181 E L -1.5347 Soluble
182 S L -0.6738 Soluble
183 V L -0.6763 Soluble
184 T L -1.2040 Soluble
185 E L -2.2780 Soluble
186 Q L -1.9281 Soluble
187 D L -2.1856 Soluble
188 S L -1.8182 Soluble
189 K L -2.3509 Soluble
190 D L -1.7867 Soluble
191 S L -1.8582 Soluble
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 -0.6744 Soluble
199 L L 0.0000 Buried
200 T L -0.3931 Soluble
201 L L -0.6420 Soluble
202 S L -1.0183 Soluble
203 K L -1.9125 Soluble
204 A L -1.7555 Soluble
205 D L -2.5355 Soluble
206 Y L 0.0000 Buried
207 E L -2.8975 Soluble
208 K L -3.3462 Soluble
209 H L -2.7717 Soluble
210 K L -2.7569 Soluble
211 V L -0.9059 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8613 Soluble
216 V L 0.0000 Buried
217 T L -1.2101 Soluble
218 H L 0.0000 Buried
219 Q L -1.5407 Soluble
220 G L -0.4573 Soluble
221 L L -0.2528 Soluble
222 S L -0.4656 Soluble
223 S L -0.4381 Soluble
224 P L -0.5505 Soluble
225 V L 0.0810 Aggregation-prone
226 T L -0.3174 Soluble
227 K L -0.6054 Soluble
228 S L -0.4447 Soluble
229 F L 0.0000 Buried
230 N L -1.6942 Soluble
231 R L -2.2904 Soluble
232 G L -2.0025 Soluble
233 E L -2.5012 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 -0.6775 2.5467 CSV PDB
4.5 -0.7226 2.4672 CSV PDB
5.0 -0.7761 2.3791 CSV PDB
5.5 -0.8282 2.2887 CSV PDB
6.0 -0.8681 2.2012 CSV PDB
6.5 -0.8865 2.1209 CSV PDB
7.0 -0.8822 2.0504 CSV PDB
7.5 -0.8619 1.9919 CSV PDB
8.0 -0.8325 1.9481 CSV PDB
8.5 -0.7966 1.9187 CSV PDB
9.0 -0.7548 1.915 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH