Epratuzumab / 5vkk

A4DAB107_5vkk_H_L | Source PDB: 5vkk | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7174
Max Score
1.7646
Min Score
-3.6577
Total Score
-313.51
Score CDR
-0.3403
Score non-CDR
-0.764

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6577
Maximum Score 1.7646
Average Score -0.7174
Total Score -313.5101

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

Index Residue Chain A4D Score Classification
2 V H 1.1227 Aggregation-prone
3 Q H -0.4436 Soluble
4 L H 0.0000 Buried
5 V H -0.0139 Soluble
6 Q H 0.0000 Buried
7 S H -0.6546 Soluble
8 G H -0.6982 Soluble
9 A H -0.3821 Soluble
11 E H -0.6548 Soluble
12 V H -0.1970 Soluble
13 K H -1.3403 Soluble
14 K H -2.2643 Soluble
15 P H -1.8006 Soluble
16 G H -1.4377 Soluble
17 S H -1.1812 Soluble
18 S H -1.3133 Soluble
19 V H 0.0000 Buried
20 K H -1.8815 Soluble
21 V H 0.0000 Buried
22 S H -0.5511 Soluble
23 C H 0.0000 Buried
24 K H -1.0841 Soluble
25 A H 0.0000 Buried
26 S H -0.3214 Soluble
27 G H 0.0689 Aggregation-prone
28 Y H 0.1754 Aggregation-prone
29 T H -0.2161 Soluble
30 F H 0.0000 Buried
35 T H 0.0000 Buried
36 S H -0.3509 Soluble
37 Y H 0.3048 Aggregation-prone
38 W H 0.4210 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 -0.5554 Soluble
44 Q H 0.0000 Buried
45 A H -0.9819 Soluble
46 P H -1.0202 Soluble
47 G H -1.2036 Soluble
48 Q H -1.7166 Soluble
49 G H -1.2441 Soluble
50 L H 0.0000 Buried
51 E H -1.3007 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 -1.1294 Soluble
58 P H 0.0000 Buried
59 R H -3.1684 Soluble
62 N H -2.9282 Soluble
63 D H -2.6943 Soluble
64 Y H -0.6468 Soluble
65 T H -0.4148 Soluble
66 E H -0.9321 Soluble
67 Y H -1.4233 Soluble
68 N H -1.9212 Soluble
69 Q H -2.7081 Soluble
70 N H -2.8007 Soluble
71 F H 0.0000 Buried
72 K H -3.4728 Soluble
74 D H -3.1632 Soluble
75 K H -2.1043 Soluble
76 A H 0.0000 Buried
77 T H -1.1681 Soluble
78 I H 0.0000 Buried
79 T H -0.6742 Soluble
80 A H -1.7506 Soluble
81 D H -2.5596 Soluble
82 E H -3.2946 Soluble
83 S H -1.5951 Soluble
84 T H -1.4571 Soluble
85 N H -1.9511 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5787 Soluble
89 M H 0.0000 Buried
90 E H -1.5223 Soluble
91 L H 0.0000 Buried
92 S H -1.3321 Soluble
93 S H -1.2925 Soluble
94 L H 0.0000 Buried
95 R H -2.7013 Soluble
96 S H -2.1695 Soluble
97 E H -2.4163 Soluble
98 D H 0.0000 Buried
99 T H -0.9218 Soluble
100 A H 0.0000 Buried
101 F H -0.1215 Soluble
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 0.0643 Aggregation-prone
108 D H 0.6307 Aggregation-prone
109 I H 1.7646 Aggregation-prone
114 T H 0.7083 Aggregation-prone
115 T H 0.2223 Aggregation-prone
116 F H 0.0000 Buried
117 Y H -0.1924 Soluble
118 W H -0.4722 Soluble
119 G H 0.0000 Buried
120 Q H -1.5631 Soluble
121 G H -0.8890 Soluble
122 T H 0.0000 Buried
123 T H -0.0642 Soluble
124 V H 0.0000 Buried
125 T H -0.7214 Soluble
126 V H 0.0000 Buried
127 S H -1.2218 Soluble
128 S H -1.1115 Soluble
129 A H -0.6105 Soluble
130 S H -0.6574 Soluble
131 T H -0.5889 Soluble
132 K H -1.1253 Soluble
133 G H -1.3403 Soluble
134 P H 0.0000 Buried
135 S H -0.3463 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0139 Soluble
139 L H 0.0000 Buried
140 A H -1.0695 Soluble
141 P H 0.0000 Buried
142 S H 0.0000 Buried
143 S H -0.5508 Soluble
144 K H -0.5210 Soluble
145 S H 0.0000 Buried
146 T H -0.4975 Soluble
147 S H -0.6227 Soluble
148 G H -0.8391 Soluble
149 G H -0.8835 Soluble
150 T H -0.6061 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3593 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.7963 Soluble
163 E H -0.9569 Soluble
164 P H -0.9542 Soluble
165 V H -0.7590 Soluble
166 T H -0.5886 Soluble
167 V H -0.3588 Soluble
168 S H -0.3748 Soluble
169 W H 0.0000 Buried
170 N H -0.7536 Soluble
171 S H -0.6946 Soluble
172 G H -0.5286 Soluble
173 A H -0.2637 Soluble
174 L H -0.0058 Soluble
175 T H -0.1702 Soluble
176 S H -0.1928 Soluble
177 G H -0.2084 Soluble
178 V H 0.1789 Aggregation-prone
179 H H -0.1872 Soluble
180 T H 0.0067 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3026 Soluble
183 A H 0.0573 Aggregation-prone
184 V H 0.3373 Aggregation-prone
185 L H 1.0246 Aggregation-prone
186 Q H 0.2044 Aggregation-prone
187 S H -0.2035 Soluble
188 S H -0.1963 Soluble
189 G H 0.0579 Aggregation-prone
190 L H 0.0783 Aggregation-prone
191 Y H 0.3087 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1450 Soluble
199 V H 0.0000 Buried
200 P H -0.6660 Soluble
201 S H -0.5718 Soluble
202 S H -0.5807 Soluble
203 S H -0.6654 Soluble
204 L H -0.8660 Soluble
205 G H -1.2739 Soluble
206 T H -0.8088 Soluble
207 Q H -1.4451 Soluble
208 T H -1.1953 Soluble
209 Y H 0.0000 Buried
210 I H -1.1743 Soluble
211 C H 0.0000 Buried
212 N H -1.3874 Soluble
213 V H 0.0000 Buried
214 N H -1.8505 Soluble
215 H H 0.0000 Buried
216 K H -2.8087 Soluble
217 P H -1.7199 Soluble
218 S H -1.8520 Soluble
219 N H -2.6201 Soluble
220 T H -2.0489 Soluble
221 K H -2.5968 Soluble
222 V H -1.4394 Soluble
223 D H -2.3960 Soluble
224 K H -2.0391 Soluble
225 R H -2.3675 Soluble
226 V H 0.0000 Buried
227 E H -2.7419 Soluble
228 P H -1.8387 Soluble
229 K H -1.8630 Soluble
230 S H -1.0142 Soluble
231 C H -0.4262 Soluble
1 D L -2.3757 Soluble
2 I L 0.0000 Buried
3 Q L -2.2063 Soluble
4 L L 0.0000 Buried
5 T L -1.1290 Soluble
6 Q L -0.6721 Soluble
7 S L -0.6398 Soluble
8 P L -0.5482 Soluble
9 S L -0.7465 Soluble
10 S L -0.7304 Soluble
11 L L -0.5431 Soluble
12 S L -0.8813 Soluble
13 A L 0.0000 Buried
14 S L -1.0025 Soluble
15 V L -0.2226 Soluble
16 G L -0.8582 Soluble
17 D L -1.8603 Soluble
18 R L -2.3390 Soluble
19 V L 0.0000 Buried
20 T L -0.5808 Soluble
21 M L 0.0000 Buried
22 S L -0.8008 Soluble
23 C L 0.0000 Buried
24 K L -2.1693 Soluble
25 S L 0.0000 Buried
26 S L -1.9242 Soluble
27 Q L -2.1050 Soluble
28 S L -0.8269 Soluble
29 V L 0.0000 Buried
30 L L 0.0694 Aggregation-prone
31 Y L 0.3037 Aggregation-prone
32 S L -0.3731 Soluble
33 A L -0.5759 Soluble
34 N L -1.4022 Soluble
35 H L -1.4629 Soluble
36 K L -1.1271 Soluble
37 N L 0.0000 Buried
38 Y L 0.3152 Aggregation-prone
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 0.0000 Buried
44 Q L -1.4400 Soluble
45 K L -1.7465 Soluble
46 P L -1.5522 Soluble
47 G L -1.6411 Soluble
48 K L -2.6324 Soluble
49 A L -1.7556 Soluble
50 P L 0.0000 Buried
51 K L -1.8590 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.1566 Soluble
56 W L -0.2031 Soluble
57 A L 0.0000 Buried
65 S L -0.6422 Soluble
66 T L -0.6012 Soluble
67 R L -1.2350 Soluble
68 E L -1.2451 Soluble
69 S L -0.8861 Soluble
70 G L -0.8605 Soluble
71 V L 0.0000 Buried
72 P L -0.6652 Soluble
74 S L -0.7309 Soluble
75 R L -0.8692 Soluble
76 F L 0.0000 Buried
77 S L -0.6171 Soluble
78 G L 0.0000 Buried
79 S L -0.7147 Soluble
80 G L -1.1303 Soluble
83 S L -1.0180 Soluble
84 G L -0.9845 Soluble
85 T L -1.6367 Soluble
86 D L -2.5185 Soluble
87 F L 0.0000 Buried
88 T L -0.7835 Soluble
89 L L 0.0000 Buried
90 T L -0.5746 Soluble
91 I L 0.0000 Buried
92 S L -1.3336 Soluble
93 S L -1.2244 Soluble
94 L L 0.0000 Buried
95 Q L -1.0825 Soluble
96 P L -1.2936 Soluble
97 E L -1.8171 Soluble
98 D L 0.0000 Buried
99 I L -1.0142 Soluble
100 A L 0.0000 Buried
101 T L -0.7002 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 0.5830 Aggregation-prone
114 S L -0.1945 Soluble
115 S L -0.4799 Soluble
116 W L 0.0000 Buried
117 T L -0.8301 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.1334 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1471 Soluble
124 L L 0.0000 Buried
125 E L -1.1707 Soluble
126 I L 0.0000 Buried
127 K L -1.8450 Soluble
128 R L -1.2170 Soluble
129 T L -0.3841 Soluble
130 V L 0.0986 Aggregation-prone
131 A L -0.1253 Soluble
132 A L -0.2089 Soluble
133 P L 0.0000 Buried
134 S L -0.2432 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6675 Soluble
140 P L -0.6053 Soluble
141 S L -1.2884 Soluble
142 D L -2.6128 Soluble
143 E L -2.2666 Soluble
144 Q L 0.0000 Buried
145 L L -1.7584 Soluble
146 K L -2.5775 Soluble
147 S L -1.6062 Soluble
148 G L -1.2652 Soluble
149 T L -0.8671 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 -1.0697 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5309 Soluble
162 R L -2.1766 Soluble
163 E L -2.7704 Soluble
164 A L -2.0625 Soluble
165 K L -2.2131 Soluble
166 V L -0.9776 Soluble
167 Q L -0.5968 Soluble
168 W L 0.0000 Buried
169 K L -0.7992 Soluble
170 V L 0.0000 Buried
171 D L -2.0189 Soluble
172 N L -1.6857 Soluble
173 A L -0.5781 Soluble
174 L L 0.0790 Aggregation-prone
175 Q L -0.3883 Soluble
176 S L -0.5862 Soluble
177 G L -0.9176 Soluble
178 N L -0.8461 Soluble
179 S L -1.0587 Soluble
180 Q L -1.3051 Soluble
181 E L -1.4635 Soluble
182 S L -0.7943 Soluble
183 V L -0.4316 Soluble
184 T L -1.0720 Soluble
185 E L -2.1056 Soluble
186 Q L 0.0000 Buried
187 D L -2.2740 Soluble
188 S L -2.2294 Soluble
189 K L -2.5111 Soluble
190 D L -1.8698 Soluble
191 S L -1.9930 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 -0.5986 Soluble
199 L L 0.0000 Buried
200 T L -0.3873 Soluble
201 L L -0.6009 Soluble
202 S L -1.1142 Soluble
203 K L -1.9312 Soluble
204 A L -1.7855 Soluble
205 D L -2.2731 Soluble
206 Y L 0.0000 Buried
207 E L -3.6577 Soluble
208 K L -3.6383 Soluble
209 H L -2.9989 Soluble
210 K L -3.2698 Soluble
211 V L -1.4873 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5435 Soluble
216 V L 0.0000 Buried
217 T L -1.1384 Soluble
218 H L 0.0000 Buried
219 Q L -1.6933 Soluble
220 G L -0.4985 Soluble
221 L L -0.2302 Soluble
222 S L -0.4419 Soluble
223 S L -0.3981 Soluble
224 P L -0.4729 Soluble
225 V L 0.2115 Aggregation-prone
226 T L -0.2055 Soluble
227 K L -0.3391 Soluble
228 S L -0.4191 Soluble
229 F L 0.0000 Buried
230 N L -1.8237 Soluble
231 R L -2.4358 Soluble
232 G L -1.7081 Soluble
233 E L -1.5430 Soluble
234 C L -0.5957 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 -0.7921 2.6564 CSV PDB
4.5 -0.8383 2.6299 CSV PDB
5.0 -0.8914 2.6031 CSV PDB
5.5 -0.9402 2.5762 CSV PDB
6.0 -0.9729 2.5495 CSV PDB
6.5 -0.981 2.5232 CSV PDB
7.0 -0.9656 2.4983 CSV PDB
7.5 -0.935 2.477 CSV PDB
8.0 -0.8961 2.4622 CSV PDB
8.5 -0.8509 2.4545 CSV PDB
9.0 -0.7991 2.4514 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH