Emactuzumab / 4liq

A4DAB102_4liq_H_L | Source PDB: 4liq | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6996
Max Score
1.5034
Min Score
-3.326
Total Score
-297.32
Score CDR
-0.3757
Score non-CDR
-0.7351

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYDISWVRQAPGQGLEWMGVIWTDGGTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARDQRLYFDVWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASEDVNTYVSWYQQKPGKAPKLLIYAASNRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSFSYPTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.326
Maximum Score 1.5034
Average Score -0.6996
Total Score -297.3167

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

Index Residue Chain A4D Score Classification
1 Q H -1.1729 Soluble
2 V H -0.2371 Soluble
3 Q H -0.7645 Soluble
4 L H 0.0000 Buried
5 V H 0.3526 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5528 Soluble
8 G H -0.5924 Soluble
9 A H -0.2346 Soluble
11 E H -0.3714 Soluble
12 V H 0.2285 Aggregation-prone
13 K H -1.0558 Soluble
14 K H -2.0304 Soluble
15 P H -2.0703 Soluble
16 G H -1.5360 Soluble
17 A H -1.1107 Soluble
18 S H -1.4407 Soluble
19 V H 0.0000 Buried
20 K H -2.0801 Soluble
21 V H 0.0000 Buried
22 S H -0.5348 Soluble
23 C H 0.0000 Buried
24 K H -0.6963 Soluble
25 A H 0.0000 Buried
26 S H -0.5448 Soluble
27 G H -0.6657 Soluble
28 Y H -0.1527 Soluble
29 T H -0.0079 Soluble
30 F H 0.0000 Buried
35 T H -0.4369 Soluble
36 S H -0.2421 Soluble
37 Y H -0.1356 Soluble
38 D H 0.0000 Buried
39 I 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 -0.4501 Soluble
44 Q H -0.6874 Soluble
45 A H -1.0382 Soluble
46 P H -0.8616 Soluble
47 G H -1.2465 Soluble
48 Q H -1.8865 Soluble
49 G H -1.3670 Soluble
50 L H 0.0000 Buried
51 E H -0.6663 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 V H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.5671 Soluble
58 T H -0.8473 Soluble
59 D H -1.9392 Soluble
63 G H -1.3714 Soluble
64 G H -0.8799 Soluble
65 T H -0.4618 Soluble
66 N H -0.4031 Soluble
67 Y H -0.8567 Soluble
68 A H 0.0000 Buried
69 Q H -2.3188 Soluble
70 K H -2.6438 Soluble
71 L H 0.0000 Buried
72 Q H -2.2716 Soluble
74 G H -1.5268 Soluble
75 R H -1.3059 Soluble
76 V H 0.0000 Buried
77 T H -0.7702 Soluble
78 M H 0.0000 Buried
79 T H -0.2700 Soluble
80 T H -0.4974 Soluble
81 D H -0.8871 Soluble
82 T H -0.5310 Soluble
83 S H -0.4858 Soluble
84 T H -0.5638 Soluble
85 S H -0.6107 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5712 Soluble
89 M H 0.0000 Buried
90 E H -1.4746 Soluble
91 L H 0.0000 Buried
92 R H -1.4549 Soluble
93 S H -1.1807 Soluble
94 L H 0.0000 Buried
95 R H -2.5213 Soluble
96 S H -2.0585 Soluble
97 D H -2.3005 Soluble
98 D H 0.0000 Buried
99 T H -0.8701 Soluble
100 A H 0.0000 Buried
101 V H 0.0696 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 0.0000 Buried
107 D H 0.0000 Buried
108 Q H -0.9012 Soluble
109 R H -1.2983 Soluble
113 L H 0.1423 Aggregation-prone
114 Y H -0.0463 Soluble
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 V H -0.1688 Soluble
118 W H -0.2471 Soluble
119 G H 0.0000 Buried
120 Q H -1.4218 Soluble
121 G H -0.7611 Soluble
122 T H 0.0000 Buried
123 T H -0.1795 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.1600 Soluble
128 S H -1.0298 Soluble
129 A H -0.5672 Soluble
130 S H -0.6117 Soluble
131 T H -0.5480 Soluble
132 K H -1.1369 Soluble
133 G H -1.3288 Soluble
134 P H -0.5874 Soluble
135 S H -0.4293 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1858 Soluble
139 L H 0.0000 Buried
140 A H -1.2315 Soluble
141 P H 0.0000 Buried
142 S H -0.4342 Soluble
143 S H -0.5571 Soluble
144 G H -0.6455 Soluble
145 T H -0.4846 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.3827 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.8062 Soluble
159 P H -0.9634 Soluble
160 V H -0.7576 Soluble
161 T H -0.6269 Soluble
162 V H -0.2169 Soluble
163 S H -0.4349 Soluble
164 W H 0.0000 Buried
165 N H -0.7746 Soluble
166 S H -0.7082 Soluble
167 G H -0.5964 Soluble
168 A H -0.2761 Soluble
169 L H -0.0529 Soluble
170 T H -0.2047 Soluble
171 S H -0.2191 Soluble
172 G H -0.2653 Soluble
173 V H 0.1490 Aggregation-prone
174 H H -0.2608 Soluble
175 T H 0.0157 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.4053 Soluble
178 A H 0.0265 Aggregation-prone
179 V H 0.2494 Aggregation-prone
180 L H 0.8497 Aggregation-prone
181 Q H 0.1790 Aggregation-prone
182 S H -0.1007 Soluble
183 S H -0.2062 Soluble
184 G H -0.0100 Soluble
185 L H 0.0091 Aggregation-prone
186 Y H 0.2256 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1434 Soluble
194 V H 0.0000 Buried
195 P H -0.4365 Soluble
196 S H -0.5119 Soluble
197 S H -0.5842 Soluble
198 S H 0.0000 Buried
199 L H -0.8109 Soluble
200 G H -0.9764 Soluble
201 T H -0.7892 Soluble
202 Q H -1.3711 Soluble
203 T H -1.1831 Soluble
204 Y H 0.0000 Buried
205 I H -1.4043 Soluble
206 C H 0.0000 Buried
207 N H -1.6320 Soluble
208 V H 0.0000 Buried
209 N H -1.9956 Soluble
210 H H 0.0000 Buried
211 K H -2.7869 Soluble
212 P H -1.6482 Soluble
213 S H -1.7973 Soluble
214 N H -2.5818 Soluble
215 T H -2.0935 Soluble
216 K H -2.7984 Soluble
217 V H -1.8188 Soluble
218 D H -2.7155 Soluble
219 K H -2.1809 Soluble
220 K H -2.5729 Soluble
221 V H 0.0000 Buried
222 E H -2.8248 Soluble
223 P H -1.9415 Soluble
224 K H -2.1233 Soluble
1 D L -2.0461 Soluble
2 I L 0.0000 Buried
3 Q L -2.3501 Soluble
4 M L 0.0000 Buried
5 T L -1.5152 Soluble
6 Q L 0.0000 Buried
7 S L -0.6426 Soluble
8 P L -0.4445 Soluble
9 S L -0.8588 Soluble
10 S L -0.7542 Soluble
11 L L -0.4635 Soluble
12 S L -0.8727 Soluble
13 A L 0.0000 Buried
14 S L -0.6268 Soluble
15 V L 0.1177 Aggregation-prone
16 G L -0.8525 Soluble
17 D L -1.7290 Soluble
18 R L -2.3455 Soluble
19 V L 0.0000 Buried
20 T L -0.5676 Soluble
21 I L 0.0000 Buried
22 T L -0.8972 Soluble
23 C L 0.0000 Buried
24 R L -3.1451 Soluble
25 A L 0.0000 Buried
26 S L -2.4879 Soluble
27 E L -3.0891 Soluble
28 D L -3.0149 Soluble
29 V L 0.0000 Buried
36 N L -1.7440 Soluble
37 T L -0.6966 Soluble
38 Y L 0.4557 Aggregation-prone
39 V L 0.0000 Buried
40 S 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 -1.8379 Soluble
46 P L -1.6419 Soluble
47 G L -1.6763 Soluble
48 K L -2.6495 Soluble
49 A L -1.6867 Soluble
50 P L 0.0000 Buried
51 K L -1.5637 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0966 Soluble
56 A L -0.2868 Soluble
57 A L 0.0000 Buried
65 S L -0.9806 Soluble
66 N L -1.4965 Soluble
67 R L -1.6228 Soluble
68 Y L -0.7565 Soluble
69 T L -0.4995 Soluble
70 G L -0.5686 Soluble
71 V L -0.5708 Soluble
72 P L -0.5015 Soluble
74 S L -0.6812 Soluble
75 R L -0.8217 Soluble
76 F L 0.0000 Buried
77 S L -0.7987 Soluble
78 G L -0.7209 Soluble
79 S L -0.8422 Soluble
80 G L -1.2914 Soluble
83 S L -1.4878 Soluble
84 G L -2.3674 Soluble
85 T L -2.8484 Soluble
86 D L -3.1727 Soluble
87 F L 0.0000 Buried
88 T L -0.8552 Soluble
89 L L 0.0000 Buried
90 T L -0.6076 Soluble
91 I L 0.0000 Buried
92 S L -1.4833 Soluble
93 S L -1.2513 Soluble
94 L L 0.0000 Buried
95 Q L -1.0066 Soluble
96 P L -0.9547 Soluble
97 E L -1.8838 Soluble
98 D L 0.0000 Buried
99 F L -0.5899 Soluble
100 A L -0.8171 Soluble
101 T L 0.0000 Buried
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 0.0000 Buried
108 F L 1.5034 Aggregation-prone
114 S L 0.9795 Aggregation-prone
115 Y L 0.9661 Aggregation-prone
116 P L 0.3379 Aggregation-prone
117 T L -0.2286 Soluble
118 F L -0.4417 Soluble
119 G L 0.0000 Buried
120 Q L -1.7237 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.5278 Soluble
124 L L 0.0000 Buried
125 E L -1.0161 Soluble
126 I L -0.4523 Soluble
127 K L -1.2705 Soluble
128 R L -0.9991 Soluble
129 T L -0.1367 Soluble
130 V L 0.3108 Aggregation-prone
131 A L 0.0669 Aggregation-prone
132 A L -0.1542 Soluble
133 P L 0.0000 Buried
134 S L -0.1093 Soluble
135 V L 0.0000 Buried
136 F L 0.1449 Aggregation-prone
137 I L 0.1069 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3860 Soluble
140 P L 0.0000 Buried
141 S L -1.8542 Soluble
142 D L -2.9984 Soluble
143 E L -3.0850 Soluble
144 Q L 0.0000 Buried
145 L L -2.1779 Soluble
146 K L -2.9109 Soluble
147 S L -1.7817 Soluble
148 G L -1.4461 Soluble
149 T L -1.0524 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 -0.7087 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3905 Soluble
162 R L -2.2431 Soluble
163 E L -2.7817 Soluble
164 A L -2.0447 Soluble
165 K L -2.0958 Soluble
166 V L -1.0705 Soluble
167 Q L -0.6238 Soluble
168 W L 0.0000 Buried
169 K L -0.5034 Soluble
170 V L 0.0000 Buried
171 D L -1.7037 Soluble
172 N L -1.3252 Soluble
173 A L -0.3270 Soluble
174 L L 0.4763 Aggregation-prone
175 Q L -0.2441 Soluble
176 S L -0.4749 Soluble
177 G L -0.9006 Soluble
178 N L -0.7794 Soluble
179 S L -1.1513 Soluble
180 Q L -1.4509 Soluble
181 E L -1.9455 Soluble
182 S L -0.7791 Soluble
183 V L -0.5077 Soluble
184 T L -0.9661 Soluble
185 E L -2.1212 Soluble
186 Q L -1.6919 Soluble
187 D L -1.8613 Soluble
188 S L -1.6845 Soluble
189 K L -2.2578 Soluble
190 D L -1.6958 Soluble
191 S L -1.6514 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 -0.6565 Soluble
199 L L 0.0000 Buried
200 T L -0.3906 Soluble
201 L L -0.5674 Soluble
202 S L -1.1607 Soluble
203 K L -2.0804 Soluble
204 A L -1.6857 Soluble
205 D L -2.2053 Soluble
206 Y L 0.0000 Buried
207 E L -3.1654 Soluble
208 K L -3.3260 Soluble
209 H L -2.6170 Soluble
210 K L -2.7211 Soluble
211 V L -1.0950 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7478 Soluble
216 V L 0.0000 Buried
217 T L -1.2130 Soluble
218 H L 0.0000 Buried
219 Q L -1.5377 Soluble
220 G L -0.4751 Soluble
221 L L -0.2647 Soluble
222 S L -0.4610 Soluble
223 S L -0.4498 Soluble
224 P L -0.6252 Soluble
225 V L -0.0503 Soluble
226 T L -0.4605 Soluble
227 K L -0.6811 Soluble
228 S L -0.4220 Soluble
229 F L -0.6924 Soluble
230 N L -1.5814 Soluble
231 R L -2.1950 Soluble
232 G L -1.8477 Soluble
233 E L -2.1111 Soluble
234 C L -0.7322 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 -0.6942 3.7767 CSV PDB
4.5 -0.7391 3.6973 CSV PDB
5.0 -0.7911 3.6053 CSV PDB
5.5 -0.84 3.5095 CSV PDB
6.0 -0.8747 3.4165 CSV PDB
6.5 -0.8859 3.3318 CSV PDB
7.0 -0.8735 3.2575 CSV PDB
7.5 -0.8456 3.1913 CSV PDB
8.0 -0.809 3.1316 CSV PDB
8.5 -0.7658 3.0815 CSV PDB
9.0 -0.7156 3.0457 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH