Epratuzumab / 5vl3

A4DAB107_5vl3_C_D | Source PDB: 5vl3 | Chains: C, D | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7448
Max Score
1.791
Min Score
-3.9289
Total Score
-318.79
Score CDR
-0.3659
Score non-CDR
-0.7927

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) C (Heavy), D (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 -3.9289
Maximum Score 1.791
Average Score -0.7448
Total Score -318.7891

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

Index Residue Chain A4D Score Classification
1 Q C -1.3567 Soluble
2 V C -0.6129 Soluble
3 Q C -1.3521 Soluble
4 L C 0.0000 Buried
5 V C -0.2569 Soluble
6 Q C 0.0000 Buried
7 S C -0.6722 Soluble
8 G C -0.6628 Soluble
9 A C -0.0166 Soluble
11 E C -0.1192 Soluble
12 V C 0.7166 Aggregation-prone
13 K C -1.0033 Soluble
14 K C -2.1965 Soluble
15 P C -1.8749 Soluble
16 G C -1.5924 Soluble
17 S C -1.3383 Soluble
18 S C -1.4410 Soluble
19 V C 0.0000 Buried
20 K C -2.1007 Soluble
21 V C 0.0000 Buried
22 S C -0.6303 Soluble
23 C C 0.0000 Buried
24 K C -0.8824 Soluble
25 A C 0.0000 Buried
26 S C -0.7837 Soluble
27 G C -0.7549 Soluble
28 Y C -0.2482 Soluble
29 T C -0.4928 Soluble
30 F C 0.0000 Buried
35 T C -1.6108 Soluble
36 S C -0.3837 Soluble
37 Y C 0.2671 Aggregation-prone
38 W C 0.0693 Aggregation-prone
39 L C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.4803 Soluble
44 Q C 0.0000 Buried
45 A C -0.9886 Soluble
46 P C -1.0165 Soluble
47 G C -1.2148 Soluble
48 Q C -1.7528 Soluble
49 G C -1.1443 Soluble
50 L C 0.0000 Buried
51 E C -1.0210 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 Y C 0.0000 Buried
56 I C 0.0000 Buried
57 N C -1.2460 Soluble
58 P C 0.0000 Buried
59 R C -3.1225 Soluble
62 N C -2.7075 Soluble
63 D C -2.5645 Soluble
64 Y C -0.6099 Soluble
65 T C -0.4953 Soluble
66 E C -1.2449 Soluble
67 Y C -1.5608 Soluble
68 N C -2.1951 Soluble
69 Q C -2.9286 Soluble
70 N C -2.7484 Soluble
71 F C 0.0000 Buried
72 K C -3.4844 Soluble
74 D C -3.2032 Soluble
75 K C -2.1255 Soluble
76 A C 0.0000 Buried
77 T C -1.2610 Soluble
78 I C 0.0000 Buried
79 T C -0.7025 Soluble
80 A C -1.6393 Soluble
81 D C -2.3546 Soluble
82 E C -2.7796 Soluble
83 S C -1.4853 Soluble
84 T C -1.3009 Soluble
85 N C -1.6607 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.6731 Soluble
89 M C 0.0000 Buried
90 E C -1.6629 Soluble
91 L C 0.0000 Buried
92 S C -1.3932 Soluble
93 S C -1.5488 Soluble
94 L C 0.0000 Buried
95 R C -3.0440 Soluble
96 S C -2.2082 Soluble
97 E C -2.5222 Soluble
98 D C 0.0000 Buried
99 T C -0.7782 Soluble
100 A C 0.0000 Buried
101 F C 0.1315 Aggregation-prone
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 R C 0.0900 Aggregation-prone
108 D C 0.5555 Aggregation-prone
109 I C 1.7910 Aggregation-prone
114 T C 0.7396 Aggregation-prone
115 T C 0.2722 Aggregation-prone
116 F C 0.0000 Buried
117 Y C -0.3642 Soluble
118 W C -0.4281 Soluble
119 G C 0.0000 Buried
120 Q C -1.5498 Soluble
121 G C -0.8252 Soluble
122 T C 0.0000 Buried
123 T C 0.1547 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C 0.0000 Buried
128 S C -0.7419 Soluble
129 A C -0.6229 Soluble
130 S C -0.5971 Soluble
131 T C -0.8907 Soluble
132 K C -1.5115 Soluble
133 G C -1.5092 Soluble
134 P C 0.0000 Buried
135 S C -0.2979 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1100 Soluble
139 L C 0.0000 Buried
140 A C -1.1198 Soluble
141 P C 0.0000 Buried
142 S C -0.7491 Soluble
143 G C -0.7562 Soluble
144 G C -0.8690 Soluble
145 T C -0.6088 Soluble
146 A C -0.3164 Soluble
147 A C 0.0000 Buried
148 L C 0.0000 Buried
149 G C 0.0000 Buried
150 C C 0.0000 Buried
151 L C 0.0000 Buried
152 V C 0.0000 Buried
153 K C 0.0000 Buried
154 D C -0.6809 Soluble
155 Y C 0.0000 Buried
156 F C 0.0000 Buried
157 P C -0.8016 Soluble
158 E C -1.2199 Soluble
159 P C -1.1147 Soluble
160 V C 0.0000 Buried
161 T C -0.6664 Soluble
162 V C -0.4109 Soluble
163 S C -0.3418 Soluble
164 W C 0.0000 Buried
165 N C -0.8282 Soluble
166 S C -0.5610 Soluble
167 G C -0.3872 Soluble
168 A C -0.1614 Soluble
169 L C 0.0353 Aggregation-prone
170 T C -0.1315 Soluble
171 S C -0.1472 Soluble
172 G C -0.1871 Soluble
173 V C 0.1325 Aggregation-prone
174 H C -0.3041 Soluble
175 T C -0.0203 Soluble
176 F C 0.0000 Buried
177 P C -0.5213 Soluble
178 A C -0.2380 Soluble
179 V C -0.0713 Soluble
180 L C 0.3355 Aggregation-prone
181 Q C -0.1528 Soluble
182 S C -0.2896 Soluble
183 S C -0.2914 Soluble
184 G C 0.0000 Buried
185 L C -0.3132 Soluble
186 Y C -0.1410 Soluble
187 S C 0.0000 Buried
188 L C 0.0000 Buried
189 S C 0.0000 Buried
190 S C 0.0000 Buried
191 V C 0.0000 Buried
192 V C 0.0000 Buried
193 T C -0.1310 Soluble
194 V C 0.0000 Buried
195 P C -0.5410 Soluble
196 S C -0.5839 Soluble
197 S C -0.5799 Soluble
198 S C -0.5847 Soluble
199 L C -0.7122 Soluble
200 G C -1.2009 Soluble
201 T C -1.0340 Soluble
202 Q C -1.3136 Soluble
203 T C -1.4105 Soluble
204 Y C 0.0000 Buried
205 I C -1.4098 Soluble
206 C C 0.0000 Buried
207 N C -1.4268 Soluble
208 V C 0.0000 Buried
209 N C -1.8274 Soluble
210 H C 0.0000 Buried
211 K C -2.8130 Soluble
212 P C -1.8210 Soluble
213 S C -1.9142 Soluble
214 N C -2.5830 Soluble
215 T C -2.0822 Soluble
216 K C -2.6230 Soluble
217 V C -1.6856 Soluble
218 D C -2.4129 Soluble
219 K C -2.2858 Soluble
220 R C -2.7598 Soluble
221 V C 0.0000 Buried
222 E C -2.8799 Soluble
223 P C -2.1362 Soluble
224 K C -2.3073 Soluble
1 D D -2.2477 Soluble
2 I D -1.3190 Soluble
3 Q D -1.9433 Soluble
4 L D 0.0000 Buried
5 T D -1.0285 Soluble
6 Q D 0.0000 Buried
7 S D -0.6673 Soluble
8 P D -0.5890 Soluble
9 S D -0.8407 Soluble
10 S D -0.8383 Soluble
11 L D -0.5017 Soluble
12 S D -0.9131 Soluble
13 A D -1.0364 Soluble
14 S D -0.9139 Soluble
15 V D 0.2203 Aggregation-prone
16 G D -0.8276 Soluble
17 D D -1.7725 Soluble
18 R D -2.3963 Soluble
19 V D 0.0000 Buried
20 T D -0.6017 Soluble
21 M D 0.0000 Buried
22 S D -0.7986 Soluble
23 C D 0.0000 Buried
24 K D -2.1880 Soluble
25 S D 0.0000 Buried
26 S D -1.6483 Soluble
27 Q D -1.6105 Soluble
28 S D -0.6307 Soluble
29 V D 0.0000 Buried
30 L D 0.1468 Aggregation-prone
31 Y D 0.3897 Aggregation-prone
32 S D -0.2355 Soluble
33 A D -0.4525 Soluble
34 N D -1.1176 Soluble
35 H D -1.2858 Soluble
36 K D -1.0774 Soluble
37 N D 0.0000 Buried
38 Y D 0.0000 Buried
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D -1.5004 Soluble
45 K D -1.7478 Soluble
46 P D -1.3936 Soluble
47 G D -1.6576 Soluble
48 K D -2.6209 Soluble
49 A D -1.7117 Soluble
50 P D 0.0000 Buried
51 K D -1.9065 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.0338 Aggregation-prone
56 W D -0.0671 Soluble
57 A D 0.0000 Buried
65 S D -0.6482 Soluble
66 T D -0.5842 Soluble
67 R D -1.0810 Soluble
68 E D -0.8921 Soluble
69 S D -0.7448 Soluble
70 G D -0.7340 Soluble
71 V D -0.7253 Soluble
72 P D -0.5307 Soluble
74 S D -0.5929 Soluble
75 R D -0.7629 Soluble
76 F D 0.0000 Buried
77 S D -0.5367 Soluble
78 G D -0.4885 Soluble
79 S D -0.7429 Soluble
80 G D -1.1836 Soluble
83 S D -1.0874 Soluble
84 G D -0.9504 Soluble
85 T D -1.6046 Soluble
86 D D -2.5283 Soluble
87 F D 0.0000 Buried
88 T D -0.8114 Soluble
89 L D 0.0000 Buried
90 T D -0.5675 Soluble
91 I D 0.0000 Buried
92 S D -1.3057 Soluble
93 S D -1.1761 Soluble
94 L D 0.0000 Buried
95 Q D -1.0668 Soluble
96 P D -0.8179 Soluble
97 E D -1.7859 Soluble
98 D D 0.0000 Buried
99 I D -0.2496 Soluble
100 A D 0.0000 Buried
101 T D -0.8779 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 H D 0.0000 Buried
106 Q D 0.0000 Buried
107 Y D 0.0000 Buried
108 L D 0.5121 Aggregation-prone
114 S D -0.0377 Soluble
115 S D -0.1005 Soluble
116 W D 0.0000 Buried
117 T D -0.5339 Soluble
118 F D -0.2900 Soluble
119 G D 0.0000 Buried
120 G D -1.1548 Soluble
121 G D -0.9721 Soluble
122 T D 0.0000 Buried
123 K D -1.6948 Soluble
124 L D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.7234 Soluble
127 K D -2.0185 Soluble
128 R D -2.2243 Soluble
129 T D -0.6787 Soluble
130 V D 0.1950 Aggregation-prone
131 A D -0.1075 Soluble
132 A D -0.0705 Soluble
133 P D 0.0000 Buried
134 S D -0.0282 Soluble
135 V D 0.0901 Aggregation-prone
136 F D 0.1378 Aggregation-prone
137 I D 0.0729 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.6805 Soluble
140 P D 0.0000 Buried
141 S D -1.3467 Soluble
142 D D -2.4310 Soluble
143 E D -2.5785 Soluble
144 Q D 0.0000 Buried
145 L D -1.9245 Soluble
146 K D -2.6557 Soluble
147 S D -1.6708 Soluble
148 G D -1.2057 Soluble
149 T D -0.9904 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8728 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.6820 Soluble
162 R D -2.4873 Soluble
163 E D -2.8979 Soluble
164 A D -2.0052 Soluble
165 K D -1.7798 Soluble
166 V D -0.7488 Soluble
167 Q D -0.3232 Soluble
168 W D 0.0000 Buried
169 K D -0.4772 Soluble
170 V D 0.0000 Buried
171 D D -1.9939 Soluble
172 N D -1.5181 Soluble
173 A D -0.2653 Soluble
174 L D 0.7086 Aggregation-prone
175 Q D -0.0649 Soluble
176 S D -0.4368 Soluble
177 G D -0.8937 Soluble
178 N D -0.8603 Soluble
179 S D -1.0416 Soluble
180 Q D -1.3892 Soluble
181 E D -1.8954 Soluble
182 S D -0.8680 Soluble
183 V D -0.8304 Soluble
184 T D -1.1234 Soluble
185 E D -2.1915 Soluble
186 Q D -1.8500 Soluble
187 D D -1.9729 Soluble
188 S D -1.7038 Soluble
189 K D -2.2127 Soluble
190 D D -1.8657 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6057 Soluble
199 L D 0.0000 Buried
200 T D -0.4083 Soluble
201 L D -0.6870 Soluble
202 S D -1.2714 Soluble
203 K D -2.1382 Soluble
204 A D -2.0125 Soluble
205 D D -2.5991 Soluble
206 Y D 0.0000 Buried
207 E D -3.9289 Soluble
208 K D -3.9114 Soluble
209 H D -3.3618 Soluble
210 K D -3.5969 Soluble
211 V D -1.7569 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.4919 Soluble
216 V D 0.0000 Buried
217 T D -0.9720 Soluble
218 H D 0.0000 Buried
219 Q D -1.5503 Soluble
220 G D -0.4412 Soluble
221 L D -0.3420 Soluble
222 S D -0.4460 Soluble
223 S D -0.3989 Soluble
224 P D -0.3884 Soluble
225 V D 0.1536 Aggregation-prone
226 T D -0.3926 Soluble
227 K D -0.6948 Soluble
228 S D -0.7700 Soluble
229 F D -1.1365 Soluble
230 N D -2.4769 Soluble
231 R D -3.2628 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 -0.8288 2.7201 CSV PDB
4.5 -0.8734 2.6797 CSV PDB
5.0 -0.9263 2.6387 CSV PDB
5.5 -0.9764 2.5974 CSV PDB
6.0 -1.0111 2.5563 CSV PDB
6.5 -1.0207 2.5157 CSV PDB
7.0 -1.0055 2.4767 CSV PDB
7.5 -0.9738 2.4418 CSV PDB
8.0 -0.9333 2.4157 CSV PDB
8.5 -0.8866 2.4008 CSV PDB
9.0 -0.8334 2.3944 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH