Vonlerolizumab / 6okn

A4DAB300_6okn_C_D | Source PDB: 6okn | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7603
Max Score
1.217
Min Score
-3.6087
Total Score
-329.23
Score CDR
-0.6001
Score non-CDR
-0.7785

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGASVKVSCKASGYTFTDSYMSWVRQAPGQGLEWIGDMYPDNGDSSYNQKFRERVTITRDTSTSTAYLELSSLRSEDTAVYYCVLAPRWYFSVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRASQDISNYLNWYQQKPGKAPKLLIYYTSRLRSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGHTLPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.6087
Maximum Score 1.217
Average Score -0.7603
Total Score -329.2269

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

Index Residue Chain A4D Score Classification
1 E C -2.0998 Soluble
2 V C -1.1435 Soluble
3 Q C -1.5514 Soluble
4 L C 0.0000 Buried
5 V C 0.0952 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.7362 Soluble
8 G C -0.9129 Soluble
9 A C 0.0000 Buried
11 E C -1.7298 Soluble
12 V C -0.8316 Soluble
13 K C -1.4395 Soluble
14 K C -1.7747 Soluble
15 P C -1.6319 Soluble
16 G C -1.3808 Soluble
17 A C -1.0257 Soluble
18 S C -1.3188 Soluble
19 V C 0.0000 Buried
20 K C -2.1751 Soluble
21 V C 0.0000 Buried
22 S C -0.7239 Soluble
23 C C 0.0000 Buried
24 K C -1.2534 Soluble
25 A C 0.0000 Buried
26 S C -1.0448 Soluble
27 G C -1.1857 Soluble
28 Y C -0.6727 Soluble
29 T C -0.5859 Soluble
30 F C 0.0000 Buried
35 T C -1.3773 Soluble
36 D C -1.9486 Soluble
37 S C -0.9577 Soluble
38 Y C -0.3373 Soluble
39 M C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.3292 Soluble
44 Q C 0.0000 Buried
45 A C -1.0484 Soluble
46 P C -1.0610 Soluble
47 G C -1.3041 Soluble
48 Q C -1.8550 Soluble
49 G C -1.3749 Soluble
50 L C 0.0000 Buried
51 E C -0.7927 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 D C 0.0000 Buried
56 M C 0.0000 Buried
57 Y C -1.0500 Soluble
58 P C 0.0000 Buried
59 D C -2.7616 Soluble
62 N C -2.5587 Soluble
63 G C -1.8976 Soluble
64 D C -1.4268 Soluble
65 S C -0.9302 Soluble
66 S C -0.5405 Soluble
67 Y C -1.2189 Soluble
68 N C 0.0000 Buried
69 Q C -2.7964 Soluble
70 K C -3.1009 Soluble
71 F C 0.0000 Buried
72 R C -3.6087 Soluble
74 E C -3.3457 Soluble
75 R C -2.1631 Soluble
76 V C 0.0000 Buried
77 T C -1.1049 Soluble
78 I C -0.7267 Soluble
79 T C -0.6605 Soluble
80 R C -1.2991 Soluble
81 D C -1.1009 Soluble
82 T C -0.8781 Soluble
83 S C -0.5327 Soluble
84 T C -0.7045 Soluble
85 S C -0.8486 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.7782 Soluble
89 L C 0.0000 Buried
90 E C -1.5901 Soluble
91 L C 0.0000 Buried
92 S C -1.3099 Soluble
93 S C -1.1569 Soluble
94 L C 0.0000 Buried
95 R C -2.6500 Soluble
96 S C -2.0926 Soluble
97 E C -2.4454 Soluble
98 D C 0.0000 Buried
99 T C -0.9167 Soluble
100 A C 0.0000 Buried
101 V C 0.1003 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 V C 0.0000 Buried
106 L C 0.0000 Buried
107 A C 0.0000 Buried
108 P C -0.2171 Soluble
109 R C -0.1528 Soluble
113 W C 0.2158 Aggregation-prone
114 Y C 0.5020 Aggregation-prone
115 F C 0.0000 Buried
116 S C 0.0484 Aggregation-prone
117 V C 0.3596 Aggregation-prone
118 W C -0.2848 Soluble
119 G C 0.0000 Buried
120 Q C -1.4304 Soluble
121 G C -0.6737 Soluble
122 T C 0.0000 Buried
123 L C -0.1567 Soluble
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -0.9384 Soluble
128 S C -0.7421 Soluble
129 A C -0.5181 Soluble
130 S C -0.6422 Soluble
131 T C -0.9243 Soluble
132 K C -1.1743 Soluble
133 G C -1.3398 Soluble
134 P C -0.6445 Soluble
135 S C -0.2368 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.2368 Soluble
139 L C 0.0000 Buried
140 A C -1.3235 Soluble
141 P C 0.0000 Buried
142 S C -1.4704 Soluble
143 S C -1.1663 Soluble
144 K C -1.2156 Soluble
145 S C 0.0000 Buried
146 T C -0.7569 Soluble
147 S C -0.8688 Soluble
148 G C -0.9441 Soluble
149 G C -0.8740 Soluble
150 T C -0.6087 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.3030 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.4776 Soluble
164 P C -0.8402 Soluble
165 V C 0.0000 Buried
166 T C -0.8176 Soluble
167 V C -0.4380 Soluble
168 S C -0.3742 Soluble
169 W C 0.0000 Buried
170 N C -0.7092 Soluble
171 S C -0.5734 Soluble
172 G C -0.5144 Soluble
173 A C -0.2511 Soluble
174 L C -0.0266 Soluble
175 T C -0.1977 Soluble
176 S C -0.2098 Soluble
177 G C -0.2460 Soluble
178 V C 0.1946 Aggregation-prone
179 H C -0.2727 Soluble
180 T C 0.0477 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.4981 Soluble
183 A C 0.2195 Aggregation-prone
184 V C 0.4114 Aggregation-prone
185 L C 1.2170 Aggregation-prone
186 Q C 0.2253 Aggregation-prone
187 S C -0.0659 Soluble
188 S C -0.2089 Soluble
189 G C 0.0177 Aggregation-prone
190 L C 0.1978 Aggregation-prone
191 Y C 0.4507 Aggregation-prone
192 S C 0.2840 Aggregation-prone
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1128 Soluble
199 V C 0.0000 Buried
200 P C -0.4321 Soluble
201 S C -0.5134 Soluble
202 S C -0.5070 Soluble
203 S C -0.4911 Soluble
204 L C -0.6589 Soluble
205 G C -1.0003 Soluble
206 T C -0.6943 Soluble
207 Q C -1.0094 Soluble
208 T C -1.1069 Soluble
209 Y C 0.0000 Buried
210 I C -1.0718 Soluble
211 C C 0.0000 Buried
212 N C 0.0000 Buried
213 V C 0.0000 Buried
214 N C -2.3073 Soluble
215 H C 0.0000 Buried
216 K C -2.9992 Soluble
217 P C -1.9085 Soluble
218 S C -1.9611 Soluble
219 N C -2.6633 Soluble
220 T C -2.1620 Soluble
221 K C -2.7013 Soluble
222 V C -1.2991 Soluble
223 D C -1.9704 Soluble
224 K C -1.5841 Soluble
225 K C -2.1538 Soluble
226 V C 0.0000 Buried
227 E C -2.7484 Soluble
228 P C -1.9975 Soluble
229 K C -2.4833 Soluble
230 S C -1.2468 Soluble
231 C C -0.2396 Soluble
1 D D -2.1293 Soluble
2 I D -1.9135 Soluble
3 Q D -2.2862 Soluble
4 M D 0.0000 Buried
5 T D -1.2906 Soluble
6 Q D 0.0000 Buried
7 S D -0.8607 Soluble
8 P D -0.5356 Soluble
9 S D -0.8158 Soluble
10 S D -0.7793 Soluble
11 L D -0.5386 Soluble
12 S D -1.0007 Soluble
13 A D -1.2978 Soluble
14 S D -1.3365 Soluble
15 V D -0.6544 Soluble
16 G D -1.5133 Soluble
17 D D -2.8485 Soluble
18 R D -2.8445 Soluble
19 V D 0.0000 Buried
20 T D -0.7409 Soluble
21 I D 0.0000 Buried
22 T D -0.9909 Soluble
23 C D 0.0000 Buried
24 R D -3.1179 Soluble
25 A D 0.0000 Buried
26 S D -2.1781 Soluble
27 Q D -2.8073 Soluble
28 D D -2.9183 Soluble
29 I D 0.0000 Buried
36 S D -1.1690 Soluble
37 N D -0.6292 Soluble
38 Y D 0.2920 Aggregation-prone
39 L D 0.0000 Buried
40 N 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 -1.2428 Soluble
45 K D -1.8293 Soluble
46 P D -1.4999 Soluble
47 G D -1.7992 Soluble
48 K D -2.4836 Soluble
49 A D -1.4994 Soluble
50 P D 0.0000 Buried
51 K D -1.4404 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.0015 Aggregation-prone
56 Y D 0.1452 Aggregation-prone
57 T D 0.0000 Buried
65 S D -0.8491 Soluble
66 R D -1.3590 Soluble
67 L D -0.6718 Soluble
68 R D -1.1294 Soluble
69 S D -0.9133 Soluble
70 G D -0.7787 Soluble
71 V D 0.0000 Buried
72 P D -0.5075 Soluble
74 S D -0.4313 Soluble
75 R D -0.8891 Soluble
76 F D 0.0000 Buried
77 S D -0.5297 Soluble
78 G D -0.4800 Soluble
79 S D -0.9213 Soluble
80 G D -1.3245 Soluble
83 S D -1.2260 Soluble
84 G D -1.8390 Soluble
85 T D -2.5294 Soluble
86 D D -2.9015 Soluble
87 F D 0.0000 Buried
88 T D -0.8980 Soluble
89 L D 0.0000 Buried
90 T D -0.6457 Soluble
91 I D 0.0000 Buried
92 S D -1.5905 Soluble
93 S D -1.4785 Soluble
94 L D 0.0000 Buried
95 Q D -1.4126 Soluble
96 P D -1.7801 Soluble
97 E D -2.3321 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 T D 0.0000 Buried
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 G D 0.0000 Buried
108 H D -0.4374 Soluble
109 T D -0.4138 Soluble
114 L D 0.0649 Aggregation-prone
115 P D 0.0000 Buried
116 P D 0.0000 Buried
117 T D -0.7490 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.5872 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.4107 Soluble
124 V D 0.0000 Buried
125 E D -1.1660 Soluble
126 I D 0.0000 Buried
127 K D -1.3816 Soluble
128 R D -0.7761 Soluble
129 T D 0.1378 Aggregation-prone
130 V D 1.1015 Aggregation-prone
131 A D 0.2684 Aggregation-prone
132 A D 0.0064 Aggregation-prone
133 P D 0.0000 Buried
134 S D -0.1935 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.7105 Soluble
140 P D 0.0000 Buried
141 S D -1.8006 Soluble
142 D D -2.9014 Soluble
143 E D -2.9396 Soluble
144 Q D 0.0000 Buried
145 L D -2.2924 Soluble
146 K D -2.8499 Soluble
147 S D -1.7687 Soluble
148 G D -1.3069 Soluble
149 T D -1.1681 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 -0.8593 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.3922 Soluble
162 R D -2.6691 Soluble
163 E D -2.9890 Soluble
164 A D -2.1827 Soluble
165 K D -2.3158 Soluble
166 V D -1.2117 Soluble
167 Q D -1.0465 Soluble
168 W D 0.0000 Buried
169 K D -0.5680 Soluble
170 V D 0.0000 Buried
171 D D -1.6880 Soluble
172 N D -1.3420 Soluble
173 A D -0.3035 Soluble
174 L D 0.5014 Aggregation-prone
175 Q D -0.4754 Soluble
176 S D -0.6837 Soluble
177 G D -1.0031 Soluble
178 N D -0.8800 Soluble
179 S D -1.4635 Soluble
180 Q D -2.0493 Soluble
181 E D -2.1407 Soluble
182 S D -1.0718 Soluble
183 V D -0.6659 Soluble
184 T D -1.0811 Soluble
185 E D -2.1931 Soluble
186 Q D 0.0000 Buried
187 D D -2.1793 Soluble
188 S D -2.3778 Soluble
189 K D -2.6879 Soluble
190 D D -2.0004 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 -0.8871 Soluble
199 L D 0.0000 Buried
200 T D -0.3700 Soluble
201 L D -0.5015 Soluble
202 S D -1.1752 Soluble
203 K D -2.0255 Soluble
204 A D -1.7529 Soluble
205 D D -2.2374 Soluble
206 Y D 0.0000 Buried
207 E D -3.1267 Soluble
208 K D -3.2860 Soluble
209 H D -2.6959 Soluble
210 K D -2.5145 Soluble
211 V D -1.1696 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.8263 Soluble
216 V D 0.0000 Buried
217 T D -1.2418 Soluble
218 H D 0.0000 Buried
219 Q D -1.3762 Soluble
220 G D -0.2623 Soluble
221 L D -0.2213 Soluble
222 S D -0.4902 Soluble
223 S D -0.3973 Soluble
224 P D -0.5467 Soluble
225 V D 0.0766 Aggregation-prone
226 T D -0.4523 Soluble
227 K D -0.7980 Soluble
228 S D -0.5449 Soluble
229 F D 0.0000 Buried
230 N D -1.8153 Soluble
231 R D -2.2924 Soluble
232 G D -1.8143 Soluble
233 E D -2.4158 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
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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 -0.8484 1.4406 CSV PDB
4.5 -0.8986 1.4045 CSV PDB
5.0 -0.9575 1.3593 CSV PDB
5.5 -1.0134 1.3134 CSV PDB
6.0 -1.0538 1.2961 CSV PDB
6.5 -1.0692 1.282 CSV PDB
7.0 -1.0604 1.2709 CSV PDB
7.5 -1.0361 1.2613 CSV PDB
8.0 -1.0032 1.253 CSV PDB
8.5 -0.964 1.2462 CSV PDB
9.0 -0.9182 1.2418 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH