Epratuzumab / 5vl3

A4DAB107_5vl3_H_L | Source PDB: 5vl3 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7263
Max Score
1.8501
Min Score
-3.685
Total Score
-310.14
Score CDR
-0.3222
Score non-CDR
-0.7775

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSSASTKGPSVFPLAPSSKGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKS 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 -3.685
Maximum Score 1.8501
Average Score -0.7263
Total Score -310.1394

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

Index Residue Chain A4D Score Classification
1 Q H -1.3361 Soluble
2 V H -0.6498 Soluble
3 Q H -0.8626 Soluble
4 L H 0.0000 Buried
5 V H 0.5693 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.4771 Soluble
8 G H -0.5451 Soluble
9 A H -0.0850 Soluble
11 E H -0.2628 Soluble
12 V H 0.3014 Aggregation-prone
13 K H -1.2073 Soluble
14 K H -2.3007 Soluble
15 P H -1.9564 Soluble
16 G H -1.6291 Soluble
17 S H -1.3460 Soluble
18 S H -1.2941 Soluble
19 V H 0.0000 Buried
20 K H -1.8064 Soluble
21 V H 0.0000 Buried
22 S H -0.5159 Soluble
23 C H 0.0000 Buried
24 K H -0.8911 Soluble
25 A H 0.0000 Buried
26 S H -0.7061 Soluble
27 G H -0.7575 Soluble
28 Y H -0.2462 Soluble
29 T H -0.2819 Soluble
30 F H 0.0000 Buried
35 T H 0.0000 Buried
36 S H -0.3579 Soluble
37 Y H 0.3066 Aggregation-prone
38 W H 0.0751 Aggregation-prone
39 L H 0.0000 Buried
40 H 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 0.0000 Buried
45 A H -1.0090 Soluble
46 P H -1.0125 Soluble
47 G H -1.2185 Soluble
48 Q H -1.7861 Soluble
49 G H -1.2134 Soluble
50 L H 0.0000 Buried
51 E H -1.3805 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.0000 Buried
56 I H 0.0000 Buried
57 N H -1.2566 Soluble
58 P H 0.0000 Buried
59 R H -3.1163 Soluble
62 N H -2.6990 Soluble
63 D H -2.6507 Soluble
64 Y H -0.5925 Soluble
65 T H -0.4661 Soluble
66 E H -1.0464 Soluble
67 Y H -1.6153 Soluble
68 N H -2.0743 Soluble
69 Q H -3.0683 Soluble
70 N H -2.8646 Soluble
71 F H 0.0000 Buried
72 K H -3.6850 Soluble
74 D H -3.5231 Soluble
75 K H -2.9146 Soluble
76 A H 0.0000 Buried
77 T H -1.3900 Soluble
78 I H 0.0000 Buried
79 T H -0.6679 Soluble
80 A H -1.6756 Soluble
81 D H -2.3386 Soluble
82 E H -2.9550 Soluble
83 S H -1.4743 Soluble
84 T H -1.3548 Soluble
85 N H -1.7645 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6605 Soluble
89 M H 0.0000 Buried
90 E H -1.6924 Soluble
91 L H 0.0000 Buried
92 S H -1.6476 Soluble
93 S H -1.6863 Soluble
94 L H 0.0000 Buried
95 R H -3.0439 Soluble
96 S H -2.2045 Soluble
97 E H -2.5341 Soluble
98 D H 0.0000 Buried
99 T H -0.7931 Soluble
100 A H 0.0000 Buried
101 F H 0.2739 Aggregation-prone
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 R H 0.2201 Aggregation-prone
108 D H 0.6687 Aggregation-prone
109 I H 1.8501 Aggregation-prone
114 T H 0.7858 Aggregation-prone
115 T H 0.3355 Aggregation-prone
116 F H 0.0000 Buried
117 Y H -0.2821 Soluble
118 W H -0.2316 Soluble
119 G H 0.0000 Buried
120 Q H -1.1486 Soluble
121 G H -0.5739 Soluble
122 T H 0.0000 Buried
123 T H 0.1735 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -0.9655 Soluble
129 A H -0.5849 Soluble
130 S H -0.5393 Soluble
131 T H -1.0676 Soluble
132 K H -1.2050 Soluble
133 G H -1.3375 Soluble
134 P H 0.0000 Buried
135 S H -0.3237 Soluble
136 V H 0.0000 Buried
137 F H -0.6204 Soluble
138 P H -1.0704 Soluble
139 L H 0.0000 Buried
140 A H -1.1347 Soluble
141 P H 0.0000 Buried
142 S H -1.4236 Soluble
143 S H -1.3922 Soluble
144 K H -1.9225 Soluble
145 G H -0.7834 Soluble
146 G H -0.8685 Soluble
147 T H -0.5717 Soluble
148 A H 0.0000 Buried
149 A H 0.0000 Buried
150 L H 0.0000 Buried
151 G H 0.0000 Buried
152 C H 0.0000 Buried
153 L H 0.0000 Buried
154 V H 0.0000 Buried
155 K H 0.0000 Buried
156 D H -0.5281 Soluble
157 Y H 0.0000 Buried
158 F H 0.0000 Buried
159 P H -0.9789 Soluble
160 E H -1.4755 Soluble
161 P H -1.1531 Soluble
162 V H -0.8536 Soluble
163 T H -0.6008 Soluble
164 V H -0.1526 Soluble
165 S H -0.4100 Soluble
166 W H 0.0000 Buried
167 N H -0.8933 Soluble
168 S H -0.6735 Soluble
169 G H -0.5672 Soluble
170 A H -0.2506 Soluble
171 L H -0.0137 Soluble
172 T H -0.1276 Soluble
173 S H -0.1486 Soluble
174 G H -0.1624 Soluble
175 V H 0.1991 Aggregation-prone
176 H H -0.2912 Soluble
177 T H 0.0396 Aggregation-prone
178 F H 0.0000 Buried
179 P H -0.5545 Soluble
180 A H -0.4045 Soluble
181 V H -0.3799 Soluble
182 L H -0.0429 Soluble
183 Q H -0.3188 Soluble
184 S H -0.3572 Soluble
185 S H -0.3460 Soluble
186 G H 0.0000 Buried
187 L H -0.3614 Soluble
188 Y H 0.0000 Buried
189 S H 0.0000 Buried
190 L H 0.0000 Buried
191 S H 0.0000 Buried
192 S H 0.0000 Buried
193 V H 0.0000 Buried
194 V H 0.0000 Buried
195 T H -0.1232 Soluble
196 V H 0.0000 Buried
197 P H -0.5028 Soluble
198 S H -0.5545 Soluble
199 S H -0.5170 Soluble
200 S H 0.0000 Buried
201 L H -0.7183 Soluble
202 G H -1.2379 Soluble
203 T H -1.0267 Soluble
204 Q H -1.2968 Soluble
205 T H -1.3439 Soluble
206 Y H 0.0000 Buried
207 I H -1.4819 Soluble
208 C H 0.0000 Buried
209 N H -1.5524 Soluble
210 V H 0.0000 Buried
211 N H -1.7896 Soluble
212 H H 0.0000 Buried
213 K H -2.8171 Soluble
214 P H -1.7573 Soluble
215 S H -1.8672 Soluble
216 N H -2.5810 Soluble
217 T H -2.0249 Soluble
218 K H -2.6688 Soluble
219 V H -1.7821 Soluble
220 D H -2.6587 Soluble
221 K H -2.4128 Soluble
222 R H -2.8141 Soluble
223 V H 0.0000 Buried
224 E H -2.8435 Soluble
225 P H -2.0590 Soluble
226 K H -2.2432 Soluble
1 D L -2.2345 Soluble
2 I L -1.2676 Soluble
3 Q L -1.9119 Soluble
4 L L 0.0000 Buried
5 T L -1.2166 Soluble
6 Q L 0.0000 Buried
7 S L -0.6970 Soluble
8 P L -0.4591 Soluble
9 S L -0.6002 Soluble
10 S L -0.4345 Soluble
11 L L -0.2713 Soluble
12 S L -0.6672 Soluble
13 A L -0.9232 Soluble
14 S L -0.7459 Soluble
15 V L 0.2991 Aggregation-prone
16 G L -0.8328 Soluble
17 D L -1.7523 Soluble
18 R L -2.3914 Soluble
19 V L 0.0000 Buried
20 T L -0.6089 Soluble
21 M L 0.0000 Buried
22 S L -0.8953 Soluble
23 C L 0.0000 Buried
24 K L -2.5498 Soluble
25 S L 0.0000 Buried
26 S L -1.5602 Soluble
27 Q L -1.4171 Soluble
28 S L -0.6453 Soluble
29 V L 0.0000 Buried
30 L L 0.1585 Aggregation-prone
31 Y L 0.3598 Aggregation-prone
32 S L -0.2673 Soluble
33 A L -0.4875 Soluble
34 N L -1.1627 Soluble
35 H L -1.3110 Soluble
36 K L -1.0071 Soluble
37 N L 0.0000 Buried
38 Y L 0.0000 Buried
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 -0.9771 Soluble
44 Q L 0.0000 Buried
45 K L -1.7097 Soluble
46 P L -1.5507 Soluble
47 G L -1.6083 Soluble
48 K L -2.5819 Soluble
49 A L -1.7075 Soluble
50 P L 0.0000 Buried
51 K L -2.0260 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0546 Aggregation-prone
56 W L -0.0244 Soluble
57 A L 0.0000 Buried
65 S L -0.6309 Soluble
66 T L -0.5814 Soluble
67 R L -1.1168 Soluble
68 E L -0.9728 Soluble
69 S L -0.8168 Soluble
70 G L -0.8280 Soluble
71 V L 0.0000 Buried
72 P L -0.6379 Soluble
74 S L -0.6587 Soluble
75 R L -0.8511 Soluble
76 F L 0.0000 Buried
77 S L -0.5633 Soluble
78 G L -0.4761 Soluble
79 S L -0.6818 Soluble
80 G L -1.1041 Soluble
83 S L -1.1097 Soluble
84 G L -0.9390 Soluble
85 T L -1.5260 Soluble
86 D L -2.3104 Soluble
87 F L 0.0000 Buried
88 T L -0.8011 Soluble
89 L L 0.0000 Buried
90 T L -0.5952 Soluble
91 I L 0.0000 Buried
92 S L -1.3716 Soluble
93 S L -1.2568 Soluble
94 L L 0.0000 Buried
95 Q L -1.1205 Soluble
96 P L -0.9230 Soluble
97 E L -1.9890 Soluble
98 D L 0.0000 Buried
99 I L -0.3964 Soluble
100 A L 0.0000 Buried
101 T L -0.5101 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 L L 0.5620 Aggregation-prone
114 S L -0.1092 Soluble
115 S L -0.3362 Soluble
116 W L 0.0000 Buried
117 T L -0.6811 Soluble
118 F L -0.4068 Soluble
119 G L 0.0000 Buried
120 G L -1.1085 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.7849 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.6024 Soluble
127 K L -1.5510 Soluble
128 R L -1.2680 Soluble
129 T L -0.2766 Soluble
130 V L 0.3862 Aggregation-prone
131 A L 0.1333 Aggregation-prone
132 A L -0.1111 Soluble
133 P L 0.0000 Buried
134 S L -0.1577 Soluble
135 V L 0.0000 Buried
136 F L -0.2897 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.4815 Soluble
140 P L -0.6774 Soluble
141 S L -1.5388 Soluble
142 D L -2.8136 Soluble
143 E L -2.6725 Soluble
144 Q L 0.0000 Buried
145 L L -1.9899 Soluble
146 K L -2.7426 Soluble
147 S L -1.7008 Soluble
148 G L -1.1973 Soluble
149 T L -0.8875 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 -0.7728 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2022 Soluble
162 R L -1.6927 Soluble
163 E L -2.5777 Soluble
164 A L -1.9717 Soluble
165 K L -2.0630 Soluble
166 V L -1.0352 Soluble
167 Q L -0.4570 Soluble
168 W L 0.0000 Buried
169 K L -0.3064 Soluble
170 V L 0.0000 Buried
171 D L -1.3632 Soluble
172 N L -1.0832 Soluble
173 A L -0.1021 Soluble
174 L L 0.7227 Aggregation-prone
175 Q L -0.0730 Soluble
176 S L -0.3999 Soluble
177 G L -0.9624 Soluble
178 N L -0.9526 Soluble
179 S L -1.3117 Soluble
180 Q L -1.9003 Soluble
181 E L -2.0895 Soluble
182 S L -1.0033 Soluble
183 V L -0.3860 Soluble
184 T L -0.8907 Soluble
185 E L -2.0964 Soluble
186 Q L -1.7045 Soluble
187 D L -2.0961 Soluble
188 S L -1.8141 Soluble
189 K L -2.2947 Soluble
190 D L -1.7949 Soluble
191 S L -1.8695 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 -0.7778 Soluble
199 L L 0.0000 Buried
200 T L -0.4407 Soluble
201 L L -0.6054 Soluble
202 S L -1.1432 Soluble
203 K L -1.8598 Soluble
204 A L -1.9002 Soluble
205 D L -2.4626 Soluble
206 Y L -2.3285 Soluble
207 E L -3.5193 Soluble
208 K L -3.6668 Soluble
209 H L -2.7545 Soluble
210 K L -2.1924 Soluble
211 V L -0.2902 Soluble
212 Y L -0.3823 Soluble
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5824 Soluble
216 V L 0.0000 Buried
217 T L -1.1254 Soluble
218 H L 0.0000 Buried
219 Q L -1.4768 Soluble
220 G L -0.4526 Soluble
221 L L -0.2251 Soluble
222 S L -0.4482 Soluble
223 S L -0.4135 Soluble
224 P L -0.5048 Soluble
225 V L 0.0031 Aggregation-prone
226 T L -0.3991 Soluble
227 K L -0.8695 Soluble
228 S L -0.5139 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 -0.8039 2.7832 CSV PDB
4.5 -0.8511 2.7507 CSV PDB
5.0 -0.9061 2.7178 CSV PDB
5.5 -0.9569 2.6846 CSV PDB
6.0 -0.9901 2.6516 CSV PDB
6.5 -0.9965 2.619 CSV PDB
7.0 -0.9776 2.5878 CSV PDB
7.5 -0.9425 2.56 CSV PDB
8.0 -0.8989 2.5393 CSV PDB
8.5 -0.8493 2.5277 CSV PDB
9.0 -0.7933 2.5228 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH