Epratuzumab / 5vl3

A4DAB107_5vl3_E_F | Source PDB: 5vl3 | Chains: E, F | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7255
Max Score
1.785
Min Score
-3.6631
Total Score
-304.73
Score CDR
-0.3122
Score non-CDR
-0.7789

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSASTKGPSVFPLAPSSKGGTAALGCLVKDYFPEPVTVSWNSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKS input.pdb
Selected Chain(s) E (Heavy), F (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 -3.6631
Maximum Score 1.785
Average Score -0.7255
Total Score -304.7257

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

Index Residue Chain A4D Score Classification
2 V E 1.1848 Aggregation-prone
3 Q E -0.0780 Soluble
4 L E 0.0000 Buried
5 V E 0.4374 Aggregation-prone
6 Q E 0.0000 Buried
7 S E -0.5035 Soluble
8 G E -0.2487 Soluble
9 A E 0.0668 Aggregation-prone
11 E E 0.1170 Aggregation-prone
12 V E 0.9992 Aggregation-prone
13 K E -0.5315 Soluble
14 K E -2.0375 Soluble
15 P E -1.8065 Soluble
16 G E -1.5507 Soluble
17 S E -1.1591 Soluble
18 S E -1.2209 Soluble
19 V E 0.0000 Buried
20 K E -2.0204 Soluble
21 V E 0.0000 Buried
22 S E -0.5454 Soluble
23 C E 0.0000 Buried
24 K E -1.0655 Soluble
25 A E 0.0000 Buried
26 S E -0.1328 Soluble
27 G E 0.0822 Aggregation-prone
28 Y E 0.2450 Aggregation-prone
29 T E -0.1381 Soluble
30 F E 0.0000 Buried
35 T E 0.0000 Buried
36 S E -0.3997 Soluble
37 Y E -0.0145 Soluble
38 W E -0.0586 Soluble
39 L E 0.0000 Buried
40 H E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E -0.6391 Soluble
44 Q E -0.7768 Soluble
45 A E -1.1419 Soluble
46 P E -1.1044 Soluble
47 G E -1.2396 Soluble
48 Q E -1.7988 Soluble
49 G E -1.2138 Soluble
50 L E 0.0000 Buried
51 E E -1.1921 Soluble
52 W E 0.0000 Buried
53 I E 0.0000 Buried
54 G E 0.0000 Buried
55 Y E 0.0000 Buried
56 I E 0.0000 Buried
57 N E -1.3154 Soluble
58 P E 0.0000 Buried
59 R E -3.1344 Soluble
62 N E -2.6772 Soluble
63 D E -2.6158 Soluble
64 Y E -0.5531 Soluble
65 T E -0.5646 Soluble
66 E E -1.3181 Soluble
67 Y E -1.7796 Soluble
68 N E -2.3211 Soluble
69 Q E -3.0752 Soluble
70 N E -2.7643 Soluble
71 F E -2.5594 Soluble
72 K E -3.6631 Soluble
74 D E -3.5091 Soluble
75 K E -2.8904 Soluble
76 A E 0.0000 Buried
77 T E -1.4054 Soluble
78 I E 0.0000 Buried
79 T E -0.6394 Soluble
80 A E -1.6258 Soluble
81 D E -2.3373 Soluble
82 E E -3.0567 Soluble
83 S E -1.4799 Soluble
84 T E -1.3620 Soluble
85 N E -1.7652 Soluble
86 T E 0.0000 Buried
87 A E 0.0000 Buried
88 Y E -0.6505 Soluble
89 M E 0.0000 Buried
90 E E -1.6891 Soluble
91 L E 0.0000 Buried
92 S E -1.4471 Soluble
93 S E -1.6827 Soluble
94 L E 0.0000 Buried
95 R E -2.9787 Soluble
96 S E -2.2648 Soluble
97 E E -2.6152 Soluble
98 D E -1.8013 Soluble
99 T E -0.8447 Soluble
100 A E 0.0000 Buried
101 F E -0.0254 Soluble
102 Y E 0.0000 Buried
103 F E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E 0.0000 Buried
107 R E 0.0480 Aggregation-prone
108 D E 0.5950 Aggregation-prone
109 I E 1.7824 Aggregation-prone
114 T E 0.7536 Aggregation-prone
115 T E 0.3287 Aggregation-prone
116 F E 0.0000 Buried
117 Y E -0.0365 Soluble
118 W E -0.1103 Soluble
119 G E 0.0000 Buried
120 Q E -1.2155 Soluble
121 G E -0.7035 Soluble
122 T E 0.0000 Buried
123 T E 0.1793 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.0888 Aggregation-prone
126 V E -0.7753 Soluble
127 S E -0.6994 Soluble
128 A E -0.4766 Soluble
129 S E -0.3643 Soluble
130 T E -1.1084 Soluble
131 K E -1.3486 Soluble
132 G E -1.4366 Soluble
133 P E -0.6438 Soluble
134 S E -0.3802 Soluble
135 V E 0.0000 Buried
136 F E 0.0000 Buried
137 P E -1.1040 Soluble
138 L E 0.0000 Buried
139 A E -1.1595 Soluble
140 P E 0.0000 Buried
141 S E -1.3146 Soluble
142 S E -1.1852 Soluble
143 K E -1.9522 Soluble
144 G E -0.7821 Soluble
145 G E -0.8766 Soluble
146 T E -0.5745 Soluble
147 A E 0.0000 Buried
148 A E 0.0000 Buried
149 L E 0.0000 Buried
150 G E 0.0000 Buried
151 C E 0.0000 Buried
152 L E 0.0000 Buried
153 V E 0.0000 Buried
154 K E 0.0000 Buried
155 D E -0.4683 Soluble
156 Y E 0.0000 Buried
157 F E 0.0000 Buried
158 P E -0.8851 Soluble
159 E E -0.9909 Soluble
160 P E -1.0718 Soluble
161 V E 0.0000 Buried
162 T E -0.7786 Soluble
163 V E -0.6513 Soluble
164 S E -0.5659 Soluble
165 W E -0.6366 Soluble
166 N E -1.9447 Soluble
167 S E -1.2231 Soluble
168 G E -0.9791 Soluble
169 V E 1.7850 Aggregation-prone
170 H E 0.5114 Aggregation-prone
171 T E 0.3775 Aggregation-prone
172 F E 0.0000 Buried
173 P E -0.3967 Soluble
174 A E -0.0994 Soluble
175 V E -0.0303 Soluble
176 L E 0.3850 Aggregation-prone
177 Q E -0.1112 Soluble
178 S E -0.2858 Soluble
179 S E -0.3085 Soluble
180 G E -0.1173 Soluble
181 L E -0.1875 Soluble
182 Y E -0.0091 Soluble
183 S E 0.0000 Buried
184 L E 0.0000 Buried
185 S E 0.0000 Buried
186 S E 0.0000 Buried
187 V E 0.0000 Buried
188 V E 0.9746 Aggregation-prone
189 T E 0.4366 Aggregation-prone
190 V E 0.0000 Buried
191 P E -0.5165 Soluble
192 S E -0.5674 Soluble
193 S E -0.4120 Soluble
194 S E -0.5327 Soluble
195 L E -0.5314 Soluble
196 G E -1.1477 Soluble
197 T E -0.9705 Soluble
198 Q E -1.3306 Soluble
199 T E -1.5239 Soluble
200 Y E -1.4095 Soluble
201 I E -1.7199 Soluble
202 C E 0.0000 Buried
203 N E -1.7847 Soluble
204 V E 0.0000 Buried
205 N E -2.2176 Soluble
206 H E 0.0000 Buried
207 K E -2.9329 Soluble
208 P E -1.8285 Soluble
209 S E -1.9714 Soluble
210 N E -2.6832 Soluble
211 T E -2.1817 Soluble
212 K E -2.7504 Soluble
213 V E -1.6071 Soluble
214 D E -2.7098 Soluble
215 K E -2.2198 Soluble
216 R E -2.8991 Soluble
217 V E 0.0000 Buried
218 E E -2.8708 Soluble
219 P E -2.1270 Soluble
220 K E -2.3121 Soluble
1 D F -2.2102 Soluble
2 I F -1.2350 Soluble
3 Q F -1.8927 Soluble
4 L F 0.0000 Buried
5 T F -1.1760 Soluble
6 Q F 0.0000 Buried
7 S F -0.7419 Soluble
8 P F -0.5585 Soluble
9 S F -0.7374 Soluble
10 S F -0.6737 Soluble
11 L F -0.3828 Soluble
12 S F -0.8138 Soluble
13 A F 0.0000 Buried
14 S F -0.8812 Soluble
15 V F -0.0169 Soluble
16 G F -0.9123 Soluble
17 D F -1.6627 Soluble
18 R F -2.3810 Soluble
19 V F 0.0000 Buried
20 T F -0.5914 Soluble
21 M F 0.0000 Buried
22 S F -0.7924 Soluble
23 C F 0.0000 Buried
24 K F -2.3816 Soluble
25 S F 0.0000 Buried
26 S F -1.5711 Soluble
27 Q F -1.5250 Soluble
28 S F -0.6425 Soluble
29 V F 0.0000 Buried
30 L F 0.1309 Aggregation-prone
31 Y F 0.2121 Aggregation-prone
32 S F -0.3458 Soluble
33 A F -0.5731 Soluble
34 N F -1.2890 Soluble
35 H F -1.3583 Soluble
36 K F -0.9384 Soluble
37 N F 0.0000 Buried
38 Y F 0.0000 Buried
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F 0.0000 Buried
45 K F -1.7403 Soluble
46 P F -1.4079 Soluble
47 G F -1.6748 Soluble
48 K F -2.6126 Soluble
49 A F -1.6855 Soluble
50 P F 0.0000 Buried
51 K F -1.7105 Soluble
52 L F -0.6892 Soluble
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.0996 Aggregation-prone
56 W F 0.1096 Aggregation-prone
57 A F 0.0000 Buried
65 S F -0.6017 Soluble
66 T F -0.5665 Soluble
67 R F -1.0281 Soluble
68 E F -0.9314 Soluble
69 S F -0.7391 Soluble
70 G F -0.7176 Soluble
71 V F -0.6594 Soluble
72 P F -0.5195 Soluble
74 S F -0.6695 Soluble
75 R F -0.8834 Soluble
76 F F 0.0000 Buried
77 S F -0.5480 Soluble
78 G F 0.0000 Buried
79 S F -0.6385 Soluble
80 G F -1.0365 Soluble
83 S F -0.8637 Soluble
84 G F -0.8579 Soluble
85 T F -1.4244 Soluble
86 D F -2.0871 Soluble
87 F F 0.0000 Buried
88 T F -0.7274 Soluble
89 L F 0.0000 Buried
90 T F -0.6180 Soluble
91 I F 0.0000 Buried
92 S F -1.4652 Soluble
93 S F -1.3120 Soluble
94 L F 0.0000 Buried
95 Q F -1.1586 Soluble
96 P F -0.8605 Soluble
97 E F -1.7854 Soluble
98 D F 0.0000 Buried
99 I F -0.0747 Soluble
100 A F 0.0000 Buried
101 T F -0.6579 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 H F 0.0000 Buried
106 Q F 0.0000 Buried
107 Y F 0.0000 Buried
108 L F 0.3569 Aggregation-prone
114 S F -0.0790 Soluble
115 S F -0.1736 Soluble
116 W F 0.0000 Buried
117 T F -0.5934 Soluble
118 F F -0.3360 Soluble
119 G F 0.0000 Buried
120 G F -1.1340 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.2624 Soluble
124 L F 0.0000 Buried
125 E F 0.0000 Buried
126 I F -0.5606 Soluble
127 K F -1.9810 Soluble
128 R F -2.4356 Soluble
129 T F -0.8849 Soluble
130 V F 0.1098 Aggregation-prone
131 A F -0.1366 Soluble
132 A F -0.1114 Soluble
133 P F 0.0000 Buried
134 S F -0.1342 Soluble
135 V F 0.0000 Buried
136 F F -0.3471 Soluble
137 I F 0.0000 Buried
138 F F 0.0000 Buried
139 P F -0.4715 Soluble
140 P F -0.6407 Soluble
141 S F -1.6268 Soluble
142 D F -2.6150 Soluble
143 E F -2.4593 Soluble
144 Q F 0.0000 Buried
145 L F -1.8979 Soluble
146 K F -2.6601 Soluble
147 S F -1.6950 Soluble
148 G F -1.2597 Soluble
149 T F -0.8087 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.8046 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.3499 Soluble
162 R F -1.7238 Soluble
163 E F -2.6153 Soluble
164 A F -2.0115 Soluble
165 K F -2.1090 Soluble
166 V F -1.0394 Soluble
167 Q F -0.3359 Soluble
168 W F 0.0000 Buried
169 K F -0.0788 Soluble
170 V F 0.0000 Buried
171 D F -0.9842 Soluble
172 N F -0.8843 Soluble
173 A F 0.0338 Aggregation-prone
174 L F 0.8432 Aggregation-prone
175 Q F 0.0252 Aggregation-prone
176 S F -0.3875 Soluble
177 G F -0.8863 Soluble
178 N F -0.8506 Soluble
179 S F -1.0693 Soluble
180 Q F -1.4212 Soluble
181 E F -1.8392 Soluble
182 S F -0.6869 Soluble
183 V F -0.3661 Soluble
184 T F -0.9323 Soluble
185 E F -2.0763 Soluble
186 Q F -1.8738 Soluble
187 D F -2.2511 Soluble
188 S F -1.9665 Soluble
189 K F -2.5802 Soluble
190 D F -2.5800 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.6761 Soluble
199 L F 0.0000 Buried
200 T F -0.4189 Soluble
201 L F -0.6800 Soluble
202 S F -1.0980 Soluble
203 K F -2.0896 Soluble
204 A F -2.0424 Soluble
205 D F -2.5964 Soluble
206 Y F -2.2550 Soluble
207 E F -3.5657 Soluble
208 K F -3.6230 Soluble
209 H F -2.4724 Soluble
210 K F -1.8486 Soluble
211 V F 0.3252 Aggregation-prone
212 Y F -0.0938 Soluble
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.6051 Soluble
216 V F 0.0000 Buried
217 T F -1.1143 Soluble
218 H F 0.0000 Buried
219 Q F -1.5085 Soluble
220 G F -0.4936 Soluble
221 L F -0.2363 Soluble
222 S F -0.4467 Soluble
223 S F -0.3723 Soluble
224 P F -0.4410 Soluble
225 V F 0.1030 Aggregation-prone
226 T F -0.3740 Soluble
227 K F -0.9291 Soluble
228 S F -0.4495 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 -0.8181 2.7303 CSV PDB
4.5 -0.865 2.7005 CSV PDB
5.0 -0.9197 2.6695 CSV PDB
5.5 -0.9696 2.6381 CSV PDB
6.0 -1.0018 2.6066 CSV PDB
6.5 -1.0076 2.5752 CSV PDB
7.0 -0.988 2.5444 CSV PDB
7.5 -0.9517 2.5151 CSV PDB
8.0 -0.9063 2.4897 CSV PDB
8.5 -0.8545 2.4718 CSV PDB
9.0 -0.7966 2.4623 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH