Melredableukin / 5i1c

A4DAB168_5i1c_H_L | Source PDB: 5i1c | Chains: H, L | Done
96.92
Yes
10 Å
Yes
Avg A4D Score
-0.7044
Max Score
2.1358
Min Score
-3.6753
Total Score
-302.91
Score CDR
-0.1408
Score non-CDR
-0.7736

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKYDGIYGELDFWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6753
Maximum Score 2.1358
Average Score -0.7044
Total Score -302.91

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

Index Residue Chain A4D Score Classification
1 E H -2.0316 Soluble
2 V H -1.1089 Soluble
3 Q H -1.0022 Soluble
4 L H 0.0000 Buried
5 L H 0.8877 Aggregation-prone
6 E H 0.0423 Aggregation-prone
7 S H -0.3216 Soluble
8 G H -0.7531 Soluble
9 G H -0.4258 Soluble
11 G H -0.0724 Soluble
12 L H -0.0492 Soluble
13 V H 0.0000 Buried
14 Q H -1.6463 Soluble
15 P H -1.7778 Soluble
16 G H -1.4664 Soluble
17 G H 0.0000 Buried
18 S H -1.2647 Soluble
19 L H -0.9516 Soluble
20 R H -1.5845 Soluble
21 L H 0.0000 Buried
22 S H -0.3636 Soluble
23 C H 0.0000 Buried
24 A H -0.1261 Soluble
25 A H 0.0000 Buried
26 S H -0.7443 Soluble
27 G H -1.1646 Soluble
28 F H -0.4618 Soluble
29 T H -0.2138 Soluble
30 F H 0.0000 Buried
35 S H -0.7508 Soluble
36 S H -0.2795 Soluble
37 Y H 0.2157 Aggregation-prone
38 A H -0.1217 Soluble
39 M H 0.0000 Buried
40 S 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 -0.8114 Soluble
45 A H -1.1527 Soluble
46 P H -0.9162 Soluble
47 G H -1.4677 Soluble
48 K H -2.4559 Soluble
49 G H -1.7632 Soluble
50 L H 0.0000 Buried
51 E H -1.1569 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 A H 0.0000 Buried
56 I H 0.0000 Buried
57 S H -0.1858 Soluble
58 G H -0.4581 Soluble
59 S H -0.6871 Soluble
62 G H -0.7366 Soluble
63 G H -0.7003 Soluble
64 S H -0.1997 Soluble
65 T H 0.3744 Aggregation-prone
66 Y H 0.7977 Aggregation-prone
67 Y H -0.2927 Soluble
68 A H -1.2034 Soluble
69 D H -2.3050 Soluble
70 S H -1.7065 Soluble
71 V H 0.0000 Buried
72 K H -2.4054 Soluble
74 G H -1.7430 Soluble
75 R H -1.3353 Soluble
76 F H 0.0000 Buried
77 T H -0.6511 Soluble
78 I H 0.0000 Buried
79 S H -0.4689 Soluble
80 R H -1.0095 Soluble
81 D H -1.5532 Soluble
82 N H -1.7576 Soluble
83 S H -1.6067 Soluble
84 K H -2.4100 Soluble
85 N H -1.8188 Soluble
86 T H -1.0519 Soluble
87 L H 0.0000 Buried
88 Y H -0.4756 Soluble
89 L H 0.0000 Buried
90 Q H -1.0486 Soluble
91 M H 0.0000 Buried
92 N H -1.5169 Soluble
93 S H -1.3395 Soluble
94 L H 0.0000 Buried
95 R H -2.4110 Soluble
96 A H -1.7635 Soluble
97 E H -2.2538 Soluble
98 D H 0.0000 Buried
99 T H -0.6989 Soluble
100 A H 0.0000 Buried
101 V H 0.3862 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 Y H 0.2176 Aggregation-prone
108 D H 0.3856 Aggregation-prone
109 G H 0.5892 Aggregation-prone
110 I H 2.1358 Aggregation-prone
112 Y H 1.6219 Aggregation-prone
113 G H 0.5849 Aggregation-prone
114 E H 0.0000 Buried
115 L H 0.0000 Buried
116 D H -0.5574 Soluble
117 F H -0.2945 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3505 Soluble
121 G H -0.5413 Soluble
122 T H 0.0136 Aggregation-prone
123 L H 0.3351 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.0161 Soluble
128 S H -0.8653 Soluble
129 A H -0.5588 Soluble
130 S H -0.7086 Soluble
131 T H -0.9637 Soluble
132 K H -1.7462 Soluble
133 G H -1.8073 Soluble
134 P H 0.0000 Buried
135 S H -0.6176 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -1.0642 Soluble
141 P H 0.0000 Buried
142 S H -0.5899 Soluble
143 G H -0.6316 Soluble
144 T H -0.4780 Soluble
145 A H 0.0000 Buried
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.7261 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.5269 Soluble
158 P H -0.8456 Soluble
159 V H -0.8657 Soluble
160 T H -0.7431 Soluble
161 V H -0.2821 Soluble
162 S H -0.4369 Soluble
163 W H 0.0000 Buried
164 N H -0.7269 Soluble
165 S H -0.6523 Soluble
166 G H -0.6108 Soluble
167 A H -0.2836 Soluble
168 L H -0.0480 Soluble
169 T H -0.1911 Soluble
170 S H -0.1757 Soluble
171 G H -0.1920 Soluble
172 V H 0.2152 Aggregation-prone
173 H H 0.0000 Buried
174 T H -0.1348 Soluble
175 F H 0.0000 Buried
176 P H -0.3285 Soluble
177 A H 0.1745 Aggregation-prone
178 V H 0.3847 Aggregation-prone
179 L H 1.0178 Aggregation-prone
180 Q H 0.1887 Aggregation-prone
181 S H -0.0816 Soluble
182 S H -0.2356 Soluble
183 G H 0.0029 Aggregation-prone
184 L H -0.0364 Soluble
185 Y H 0.2210 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1312 Soluble
193 V H 0.0000 Buried
194 P H -0.5803 Soluble
195 S H -0.6023 Soluble
196 S H -0.6130 Soluble
197 S H -0.6291 Soluble
198 L H -0.7790 Soluble
199 G H -0.9568 Soluble
200 T H -0.7452 Soluble
201 Q H -1.2380 Soluble
202 T H -1.0000 Soluble
203 Y H 0.0000 Buried
204 I H -0.9651 Soluble
205 C H 0.0000 Buried
206 N H -1.4370 Soluble
207 V H 0.0000 Buried
208 N H -2.4214 Soluble
209 H H 0.0000 Buried
210 K H -2.9170 Soluble
211 P H -1.7703 Soluble
212 S H -2.0851 Soluble
213 N H -2.7579 Soluble
214 T H -2.3404 Soluble
215 K H -2.8519 Soluble
216 V H -1.6873 Soluble
217 D H -2.1609 Soluble
218 K H -1.8470 Soluble
219 K H -1.9896 Soluble
220 V H 0.0000 Buried
221 E H -2.5199 Soluble
222 P H -1.7998 Soluble
223 K H -2.3690 Soluble
224 S H -1.2934 Soluble
1 E L -1.6200 Soluble
2 I L 0.0000 Buried
3 V L 0.6581 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.8341 Soluble
6 Q L -0.9260 Soluble
7 S L -0.9321 Soluble
8 P L -0.5456 Soluble
9 G L -0.8932 Soluble
10 T L -0.4280 Soluble
11 L L -0.2046 Soluble
12 S L -0.5222 Soluble
13 L L -1.0889 Soluble
14 S L -1.7169 Soluble
15 P L -2.1830 Soluble
16 G L -2.5527 Soluble
17 E L -3.1788 Soluble
18 R L -3.2604 Soluble
19 A L 0.0000 Buried
20 T L -0.5484 Soluble
21 L L 0.0000 Buried
22 S L -1.0479 Soluble
23 C L 0.0000 Buried
24 R L -2.4411 Soluble
25 A L -1.3276 Soluble
26 S L -1.0579 Soluble
27 Q L -1.7159 Soluble
28 S L -1.4747 Soluble
29 V L 0.0000 Buried
30 S L -0.3730 Soluble
36 S L -0.2002 Soluble
37 S L -0.0997 Soluble
38 Y L 0.5868 Aggregation-prone
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 -1.5004 Soluble
46 P L -1.4118 Soluble
47 G L -1.5130 Soluble
48 Q L -2.1631 Soluble
49 A L -1.4936 Soluble
50 P L 0.0000 Buried
51 R L -1.2864 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.1464 Soluble
56 G L -0.0605 Soluble
57 A L 0.0000 Buried
65 S L -0.6981 Soluble
66 S L -0.9038 Soluble
67 R L -1.8635 Soluble
68 A L -1.0508 Soluble
69 T L -0.7196 Soluble
70 G L -0.9534 Soluble
71 I L 0.0000 Buried
72 P L -1.3730 Soluble
74 D L -2.4197 Soluble
75 R L -1.9495 Soluble
76 F L 0.0000 Buried
77 S L -1.0109 Soluble
78 G L -0.6093 Soluble
79 S L -0.7797 Soluble
80 G L -1.2575 Soluble
83 S L -1.1671 Soluble
84 G L -1.3304 Soluble
85 T L -2.0410 Soluble
86 D L -2.8212 Soluble
87 F L 0.0000 Buried
88 T L -0.9232 Soluble
89 L L 0.0000 Buried
90 T L -0.7890 Soluble
91 I L 0.0000 Buried
92 S L -2.4368 Soluble
93 R L -3.6420 Soluble
94 L L 0.0000 Buried
95 E L -2.4819 Soluble
96 P L -1.6389 Soluble
97 E L -2.2993 Soluble
98 D L 0.0000 Buried
99 F L -0.6250 Soluble
100 A L 0.0000 Buried
101 V L -0.1683 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 Y L 0.1459 Aggregation-prone
108 G L -0.0915 Soluble
109 S L -0.6293 Soluble
114 S L -0.5316 Soluble
115 P L -0.7885 Soluble
116 L L 0.0000 Buried
117 T L 0.0000 Buried
118 F L -0.0181 Soluble
119 G L 0.0000 Buried
120 Q L -1.4943 Soluble
121 G L -1.0667 Soluble
122 T L 0.0000 Buried
123 K L -0.6569 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.7577 Soluble
127 K L -1.4944 Soluble
128 R L -0.9718 Soluble
129 T L 0.1352 Aggregation-prone
130 V L 0.9512 Aggregation-prone
131 A L 0.4463 Aggregation-prone
132 A L 0.0188 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1507 Soluble
135 V L 0.0000 Buried
136 F L 0.1625 Aggregation-prone
137 I L 0.1127 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4927 Soluble
140 P L 0.0000 Buried
141 S L -1.8939 Soluble
142 D L -3.2107 Soluble
143 E L -3.2242 Soluble
144 Q L 0.0000 Buried
145 L L -2.2769 Soluble
146 K L -2.8337 Soluble
147 S L -1.7355 Soluble
148 G L -1.3530 Soluble
149 T L -1.0431 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 -0.8321 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5413 Soluble
162 R L -2.6292 Soluble
163 E L -3.0676 Soluble
164 A L -2.2372 Soluble
165 K L -2.1992 Soluble
166 V L 0.0000 Buried
167 Q L -0.9189 Soluble
168 W L 0.0000 Buried
169 K L -0.8588 Soluble
170 V L 0.0000 Buried
171 D L -1.7259 Soluble
172 N L -1.5105 Soluble
173 A L -0.4159 Soluble
174 L L 0.2953 Aggregation-prone
175 Q L -0.2988 Soluble
176 S L -0.4898 Soluble
177 G L -0.8468 Soluble
178 N L -0.7345 Soluble
179 S L -0.9927 Soluble
180 Q L -1.1184 Soluble
181 E L -1.4448 Soluble
182 S L -0.7970 Soluble
183 V L -0.9405 Soluble
184 T L -1.1871 Soluble
185 E L -2.2827 Soluble
186 Q L -1.8570 Soluble
187 D L -1.9391 Soluble
188 S L -1.9011 Soluble
189 K L -2.2025 Soluble
190 D L -1.5817 Soluble
191 S L -1.6553 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 -0.4857 Soluble
199 L L 0.0000 Buried
200 T L -0.2859 Soluble
201 L L -0.7105 Soluble
202 S L -1.1013 Soluble
203 K L -2.0983 Soluble
204 A L -1.9617 Soluble
205 D L -2.8196 Soluble
206 Y L 0.0000 Buried
207 E L -3.5657 Soluble
208 K L -3.6753 Soluble
209 H L -2.9828 Soluble
210 K L -2.9209 Soluble
211 V L -1.2148 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0546 Soluble
216 V L 0.0000 Buried
217 T L -1.2516 Soluble
218 H L 0.0000 Buried
219 Q L -1.5615 Soluble
220 G L -0.2325 Soluble
221 L L -0.1742 Soluble
222 S L -0.4701 Soluble
223 S L -0.4377 Soluble
224 P L -0.5742 Soluble
225 V L -0.0816 Soluble
226 T L -0.5446 Soluble
227 K L -0.6111 Soluble
228 S L -0.4906 Soluble
229 F L -0.7187 Soluble
230 N L -1.6807 Soluble
231 R L -2.3717 Soluble
232 G L -1.9396 Soluble
233 E L -2.1382 Soluble
234 C L -0.8337 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
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 -0.7218 3.4149 CSV PDB
4.5 -0.7664 3.3969 CSV PDB
5.0 -0.819 3.3784 CSV PDB
5.5 -0.8699 3.3597 CSV PDB
6.0 -0.9078 3.3411 CSV PDB
6.5 -0.9235 3.3226 CSV PDB
7.0 -0.9158 3.3046 CSV PDB
7.5 -0.8924 3.2879 CSV PDB
8.0 -0.8604 3.2742 CSV PDB
8.5 -0.822 3.2654 CSV PDB
9.0 -0.7774 3.2608 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH