Lumretuzumab / 4leo

A4DAB162_4leo_A_B | Source PDB: 4leo | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6726
Max Score
1.6723
Min Score
-3.5482
Total Score
-291.23
Score CDR
-0.3011
Score non-CDR
-0.7244

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFRSSYISWVRQAPGQGLEWMGWIYAGTGSPSYNQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARHRDYYSNSLTYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPDSLAVSLGERATINCKSSQSVLNSGNQKNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQSDYSYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5482
Maximum Score 1.6723
Average Score -0.6726
Total Score -291.2309

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

Index Residue Chain A4D Score Classification
1 Q A -1.5152 Soluble
2 V A -0.9502 Soluble
3 Q A -1.2538 Soluble
4 L A 0.0000 Buried
5 V A 0.7275 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.4266 Soluble
8 G A -0.4542 Soluble
9 A A -0.1206 Soluble
11 E A -0.4783 Soluble
12 V A -0.1303 Soluble
13 K A -1.4598 Soluble
14 K A -2.3426 Soluble
15 P A -2.0739 Soluble
16 G A -1.6591 Soluble
17 A A -1.2739 Soluble
18 S A -1.5258 Soluble
19 V A 0.0000 Buried
20 K A -2.0489 Soluble
21 V A 0.0000 Buried
22 S A -0.4779 Soluble
23 C A 0.0000 Buried
24 K A -0.8624 Soluble
25 A A 0.0000 Buried
26 S A -0.8327 Soluble
27 G A -1.0406 Soluble
28 Y A -0.6262 Soluble
29 T A -0.6664 Soluble
30 F A 0.0000 Buried
35 R A -2.0212 Soluble
36 S A -0.9453 Soluble
37 S A 0.0000 Buried
38 Y A -0.0268 Soluble
39 I A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.4467 Soluble
44 Q A -0.6589 Soluble
45 A A -1.0241 Soluble
46 P A -0.8168 Soluble
47 G A -1.2460 Soluble
48 Q A -1.8093 Soluble
49 G A -1.2554 Soluble
50 L A 0.0000 Buried
51 E A -0.7591 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A 0.1988 Aggregation-prone
56 I A 0.0000 Buried
57 Y A -0.1970 Soluble
58 A A 0.0000 Buried
59 G A -0.9789 Soluble
62 T A -0.5739 Soluble
63 G A -0.4930 Soluble
64 S A -0.2424 Soluble
65 P A -0.0642 Soluble
66 S A 0.0607 Aggregation-prone
67 Y A -0.2334 Soluble
68 N A 0.0000 Buried
69 Q A -2.3948 Soluble
70 K A -2.4480 Soluble
71 L A 0.0000 Buried
72 Q A -2.2326 Soluble
74 G A -1.5989 Soluble
75 R A 0.0000 Buried
76 V A 0.0000 Buried
77 T A -0.4916 Soluble
78 M A 0.0000 Buried
79 T A -0.2352 Soluble
80 T A -0.6929 Soluble
81 D A -1.0811 Soluble
82 T A -0.9466 Soluble
83 S A -0.6566 Soluble
84 T A -0.6010 Soluble
85 S A -0.9781 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.5125 Soluble
89 M A 0.0000 Buried
90 E A -1.3936 Soluble
91 L A 0.0000 Buried
92 R A -1.5574 Soluble
93 S A -1.3380 Soluble
94 L A 0.0000 Buried
95 R A -2.5899 Soluble
96 S A -2.1038 Soluble
97 D A -2.3188 Soluble
98 D A 0.0000 Buried
99 T A -0.8724 Soluble
100 A A 0.0000 Buried
101 V A 0.2189 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 R A -0.1483 Soluble
107 H A 0.0000 Buried
108 R A -0.2198 Soluble
109 D A 0.1761 Aggregation-prone
110 Y A 1.5369 Aggregation-prone
111 Y A 1.6723 Aggregation-prone
112 S A 0.0000 Buried
113 N A 0.1724 Aggregation-prone
114 S A 0.0000 Buried
115 L A 0.0000 Buried
116 T A -0.3199 Soluble
117 Y A 0.0372 Aggregation-prone
118 W A -0.1665 Soluble
119 G A 0.0000 Buried
120 Q A -1.1006 Soluble
121 G A -0.4099 Soluble
122 T A 0.0000 Buried
123 L A 0.3732 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.3054 Soluble
128 S A -1.1504 Soluble
129 A A -0.7341 Soluble
130 S A -0.7159 Soluble
131 T A -0.5865 Soluble
132 K A -1.1802 Soluble
133 G A -1.3241 Soluble
134 P A 0.0000 Buried
135 S A -0.4061 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2074 Soluble
139 L A 0.0000 Buried
140 A A -0.8021 Soluble
141 P A 0.0000 Buried
142 S A -0.4190 Soluble
143 G A -0.6462 Soluble
144 T A -0.4800 Soluble
145 A A -0.2523 Soluble
146 A A 0.0000 Buried
147 L A 0.0000 Buried
148 G A 0.0000 Buried
149 C A 0.0000 Buried
150 L A 0.0000 Buried
151 V A 0.0000 Buried
152 K A 0.0000 Buried
153 D A -0.2718 Soluble
154 Y A 0.0000 Buried
155 F A 0.0000 Buried
156 P A 0.0000 Buried
157 E A -0.5637 Soluble
158 P A -0.7491 Soluble
159 V A -0.5225 Soluble
160 T A -0.6562 Soluble
161 V A -0.2212 Soluble
162 S A -0.4149 Soluble
163 W A 0.0000 Buried
164 N A -0.7715 Soluble
165 S A -0.7020 Soluble
166 G A -0.6161 Soluble
167 A A -0.2901 Soluble
168 L A -0.0546 Soluble
169 T A -0.2193 Soluble
170 S A -0.2173 Soluble
171 G A -0.2954 Soluble
172 V A 0.0750 Aggregation-prone
173 H A -0.2697 Soluble
174 T A -0.0129 Soluble
175 F A 0.0000 Buried
176 P A -0.3082 Soluble
177 A A 0.2718 Aggregation-prone
178 V A 0.5736 Aggregation-prone
179 L A 1.3153 Aggregation-prone
180 Q A 0.3472 Aggregation-prone
181 S A -0.0231 Soluble
182 S A -0.1808 Soluble
183 G A 0.0971 Aggregation-prone
184 L A 0.1257 Aggregation-prone
185 Y A 0.4575 Aggregation-prone
186 S A 0.0000 Buried
187 L A 0.1657 Aggregation-prone
188 S A 0.0000 Buried
189 S A 0.0000 Buried
190 V A 0.0000 Buried
191 V A 0.0000 Buried
192 T A -0.1640 Soluble
193 V A 0.0000 Buried
194 P A -0.4972 Soluble
195 S A -0.5843 Soluble
196 S A -0.6460 Soluble
197 S A 0.0000 Buried
198 L A -0.7990 Soluble
199 G A -1.0002 Soluble
200 T A -0.8304 Soluble
201 Q A -1.1898 Soluble
202 T A -1.1136 Soluble
203 Y A 0.0000 Buried
204 I A -1.2043 Soluble
205 C A 0.0000 Buried
206 N A -1.5488 Soluble
207 V A 0.0000 Buried
208 N A -2.0878 Soluble
209 H A 0.0000 Buried
210 K A -2.7370 Soluble
211 P A -1.5451 Soluble
212 S A -1.8086 Soluble
213 N A -2.5774 Soluble
214 T A -2.1275 Soluble
215 K A -2.8058 Soluble
216 V A -1.7504 Soluble
217 D A -2.7047 Soluble
218 K A -2.1683 Soluble
219 K A -2.4751 Soluble
220 V A 0.0000 Buried
221 E A -2.3549 Soluble
222 P A -1.1981 Soluble
1 D B -1.4372 Soluble
2 I B -0.0128 Soluble
3 V B 0.8561 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.7361 Soluble
6 Q B 0.0000 Buried
7 S B -1.2600 Soluble
8 P B -1.3583 Soluble
9 D B -2.4081 Soluble
10 S B -1.5263 Soluble
11 L B -0.7857 Soluble
12 A B -0.6666 Soluble
13 V B 0.0000 Buried
14 S B -1.4502 Soluble
15 L B -0.6584 Soluble
16 G B -1.3951 Soluble
17 E B -2.9204 Soluble
18 R B -2.8971 Soluble
19 A B 0.0000 Buried
20 T B -0.5689 Soluble
21 I B 0.0000 Buried
22 N B -1.1010 Soluble
23 C B 0.0000 Buried
24 K B -1.7988 Soluble
25 S B 0.0000 Buried
26 S B -0.8173 Soluble
27 Q B -1.3452 Soluble
28 S B -0.8868 Soluble
29 V B 0.0000 Buried
30 L B -0.5039 Soluble
31 N B -1.1233 Soluble
32 S B -1.3516 Soluble
33 G B -1.5173 Soluble
34 N B -2.0711 Soluble
35 Q B -2.1401 Soluble
36 K B -1.3804 Soluble
37 N B -0.5747 Soluble
38 Y B 0.2667 Aggregation-prone
39 L B 0.0000 Buried
40 T 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 0.0000 Buried
45 K B -1.3302 Soluble
46 P B -1.1575 Soluble
47 G B -1.1635 Soluble
48 Q B -1.4933 Soluble
49 P B -1.0383 Soluble
50 P B 0.0000 Buried
51 K B -1.1649 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.0000 Buried
56 W B 0.2072 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.5871 Soluble
66 T B -0.5491 Soluble
67 R B -1.2866 Soluble
68 E B -0.9685 Soluble
69 S B -0.7245 Soluble
70 G B -0.9767 Soluble
71 V B 0.0000 Buried
72 P B -1.3472 Soluble
74 D B -2.2000 Soluble
75 R B -1.5822 Soluble
76 F B 0.0000 Buried
77 S B -0.8941 Soluble
78 G B -0.4997 Soluble
79 S B -0.6790 Soluble
80 G B -1.0434 Soluble
83 S B -0.9753 Soluble
84 G B -0.9939 Soluble
85 T B -1.3691 Soluble
86 D B -1.7601 Soluble
87 F B 0.0000 Buried
88 T B -0.7756 Soluble
89 L B 0.0000 Buried
90 T B -0.6577 Soluble
91 I B 0.0000 Buried
92 S B -1.9092 Soluble
93 S B -1.8365 Soluble
94 L B 0.0000 Buried
95 Q B -1.2380 Soluble
96 A B -0.7940 Soluble
97 E B -1.8849 Soluble
98 D B 0.0000 Buried
99 V B -0.5965 Soluble
100 A B 0.0000 Buried
101 V B -0.8548 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 S B 0.0000 Buried
107 D B 0.0000 Buried
108 Y B 0.7972 Aggregation-prone
109 S B 0.3215 Aggregation-prone
114 Y B 0.3149 Aggregation-prone
115 P B 0.0000 Buried
116 Y B 0.3561 Aggregation-prone
117 T B 0.2264 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.2330 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.7382 Soluble
124 L B 0.0000 Buried
125 E B -1.0467 Soluble
126 I B -0.8822 Soluble
127 K B -1.7108 Soluble
128 R B -1.0088 Soluble
129 T B 0.0360 Aggregation-prone
130 V B 0.9580 Aggregation-prone
131 A B 0.4328 Aggregation-prone
132 A B 0.0316 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.1509 Soluble
135 V B 0.0000 Buried
136 F B 0.2473 Aggregation-prone
137 I B 0.2535 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4905 Soluble
140 P B -0.7406 Soluble
141 S B -1.6538 Soluble
142 D B -3.0245 Soluble
143 E B -3.0795 Soluble
144 Q B 0.0000 Buried
145 L B -2.1306 Soluble
146 K B -2.8529 Soluble
147 S B -1.7517 Soluble
148 G B -1.4178 Soluble
149 T B -1.1530 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 -1.0919 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.5813 Soluble
162 R B -2.7991 Soluble
163 E B -3.1199 Soluble
164 A B -2.3274 Soluble
165 K B -2.4398 Soluble
166 V B -1.2061 Soluble
167 Q B -0.7879 Soluble
168 W B 0.0000 Buried
169 K B -0.6247 Soluble
170 V B 0.0000 Buried
171 D B -1.7896 Soluble
172 N B -1.3747 Soluble
173 A B -0.2306 Soluble
174 L B 0.7384 Aggregation-prone
175 Q B -0.0837 Soluble
176 S B -0.4905 Soluble
177 G B -0.8746 Soluble
178 N B -0.7659 Soluble
179 S B -1.1220 Soluble
180 Q B -1.3741 Soluble
181 E B -1.9136 Soluble
182 S B -0.7960 Soluble
183 V B -0.7853 Soluble
184 T B -1.1328 Soluble
185 E B -2.2892 Soluble
186 Q B -1.9950 Soluble
187 D B -2.1681 Soluble
188 S B -1.9834 Soluble
189 K B -2.4192 Soluble
190 D B -2.0904 Soluble
191 S B -1.9974 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 -0.6922 Soluble
199 L B 0.0000 Buried
200 T B -0.3867 Soluble
201 L B -0.5984 Soluble
202 S B -1.2258 Soluble
203 K B -2.0776 Soluble
204 A B -1.8858 Soluble
205 D B -2.5324 Soluble
206 Y B 0.0000 Buried
207 E B -3.5482 Soluble
208 K B -3.5429 Soluble
209 H B -2.9695 Soluble
210 K B -2.9453 Soluble
211 V B -1.3806 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.8930 Soluble
216 V B 0.0000 Buried
217 T B -1.2173 Soluble
218 H B 0.0000 Buried
219 Q B -1.6078 Soluble
220 G B -0.2468 Soluble
221 L B -0.1337 Soluble
222 S B -0.4433 Soluble
223 S B -0.3957 Soluble
224 P B -0.5103 Soluble
225 V B -0.0260 Soluble
226 T B -0.4487 Soluble
227 K B -0.5856 Soluble
228 S B -0.5525 Soluble
229 F B -0.9648 Soluble
230 N B -2.1513 Soluble
231 R B -2.5555 Soluble
232 G B -2.1893 Soluble
233 E B -2.5177 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 -0.6918 1.9768 CSV PDB
4.5 -0.7355 1.9358 CSV PDB
5.0 -0.7861 1.8903 CSV PDB
5.5 -0.834 1.8433 CSV PDB
6.0 -0.8683 1.7957 CSV PDB
6.5 -0.8806 1.7481 CSV PDB
7.0 -0.8706 1.7007 CSV PDB
7.5 -0.8457 1.6539 CSV PDB
8.0 -0.812 1.6202 CSV PDB
8.5 -0.7713 1.7037 CSV PDB
9.0 -0.7232 1.7851 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH