Obinutuzumab / 3pp3

A4DAB184_3pp3_I_K | Source PDB: 3pp3 | Chains: I, K | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6911
Max Score
1.417
Min Score
-3.6444
Total Score
-302.68
Score CDR
-0.2801
Score non-CDR
-0.7452

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYAFSYSWINWVRQAPGQGLEWMGRIFPGDGDTDYNGKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCARNVFDGYWLVYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQTPLSLPVTPGEPASISCRSSKSLLHSNGITYLYWYLQKPGQSPQLLIYQMSNLVSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQNLELPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) I (Heavy), K (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 -3.6444
Maximum Score 1.417
Average Score -0.6911
Total Score -302.684

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

Index Residue Chain A4D Score Classification
1 Q I -1.3895 Soluble
2 V I -0.8050 Soluble
3 Q I -1.2784 Soluble
4 L I 0.0000 Buried
5 V I 0.0590 Aggregation-prone
6 Q I 0.0000 Buried
7 S I -0.5108 Soluble
8 G I -0.5039 Soluble
9 A I -0.0614 Soluble
11 E I -0.2245 Soluble
12 V I 0.1129 Aggregation-prone
13 K I -1.2603 Soluble
14 K I -2.2753 Soluble
15 P I -2.1227 Soluble
16 G I -1.4606 Soluble
17 S I -1.1966 Soluble
18 S I -1.3084 Soluble
19 V I 0.0000 Buried
20 K I -1.7036 Soluble
21 V I 0.0000 Buried
22 S I -0.4999 Soluble
23 C I 0.0000 Buried
24 K I -0.8847 Soluble
25 A I 0.0000 Buried
26 S I -0.7407 Soluble
27 G I -0.7032 Soluble
28 Y I 0.0523 Aggregation-prone
29 A I 0.2686 Aggregation-prone
30 F I 0.0000 Buried
35 S I -0.3532 Soluble
36 Y I 1.3016 Aggregation-prone
37 S I 0.0000 Buried
38 W I 0.3372 Aggregation-prone
39 I I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.5694 Soluble
45 A I -0.9848 Soluble
46 P I -0.9869 Soluble
47 G I -1.2270 Soluble
48 Q I -1.7364 Soluble
49 G I -1.0825 Soluble
50 L I 0.0000 Buried
51 E I -0.6333 Soluble
52 W I 0.0000 Buried
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 R I -0.5839 Soluble
56 I I 0.0000 Buried
57 F I 0.0000 Buried
58 P I 0.0000 Buried
59 G I -1.4446 Soluble
62 D I -2.5901 Soluble
63 G I -2.3999 Soluble
64 D I -2.4745 Soluble
65 T I -1.2449 Soluble
66 D I -0.4670 Soluble
67 Y I -0.3050 Soluble
68 N I -0.9199 Soluble
69 G I -1.6679 Soluble
70 K I -2.3007 Soluble
71 F I 0.0000 Buried
72 K I -2.6165 Soluble
74 G I -1.7679 Soluble
75 R I -1.5460 Soluble
76 V I 0.0000 Buried
77 T I -0.6231 Soluble
78 I I 0.0000 Buried
79 T I -0.7176 Soluble
80 A I -1.3723 Soluble
81 D I -1.7909 Soluble
82 K I -2.4597 Soluble
83 S I -1.3189 Soluble
84 T I -1.1171 Soluble
85 S I -1.2514 Soluble
86 T I 0.0000 Buried
87 A I 0.0000 Buried
88 Y I -0.5124 Soluble
89 M I 0.0000 Buried
90 E I -1.3903 Soluble
91 L I 0.0000 Buried
92 S I -1.0908 Soluble
93 S I -1.1141 Soluble
94 L I 0.0000 Buried
95 R I -2.8724 Soluble
96 S I -2.2854 Soluble
97 E I -2.4878 Soluble
98 D I 0.0000 Buried
99 T I -0.8802 Soluble
100 A I 0.0000 Buried
101 V I 0.2583 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.2637 Aggregation-prone
107 N I 0.6781 Aggregation-prone
108 V I 1.2813 Aggregation-prone
109 F I 1.1426 Aggregation-prone
110 D I -0.8789 Soluble
112 G I -0.1827 Soluble
113 Y I 0.4951 Aggregation-prone
114 W I 0.0000 Buried
115 L I 0.0000 Buried
116 V I 0.5127 Aggregation-prone
117 Y I 0.4049 Aggregation-prone
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.2863 Soluble
121 G I -0.5116 Soluble
122 T I 0.0000 Buried
123 L I 0.4286 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.0000 Buried
126 V I 0.0000 Buried
127 S I -1.2704 Soluble
128 S I -1.0357 Soluble
129 A I -0.6366 Soluble
130 S I -0.6981 Soluble
131 T I -0.8474 Soluble
132 K I -1.4850 Soluble
133 G I -1.5822 Soluble
134 P I 0.0000 Buried
135 S I -0.2850 Soluble
136 V I 0.0000 Buried
137 F I -0.5074 Soluble
138 P I -0.9340 Soluble
139 L I 0.0000 Buried
140 A I -0.7903 Soluble
141 P I 0.0000 Buried
142 S I -0.8494 Soluble
143 S I -1.3198 Soluble
144 K I -2.0145 Soluble
145 S I -1.2422 Soluble
146 T I -0.8054 Soluble
147 S I -0.9714 Soluble
148 G I -1.2295 Soluble
149 G I -1.0823 Soluble
150 T I -0.6285 Soluble
151 A I 0.0000 Buried
152 A I 0.0000 Buried
153 L I 0.0000 Buried
154 G I 0.0000 Buried
155 C I 0.0000 Buried
156 L I 0.0000 Buried
157 V I 0.0000 Buried
158 K I 0.0000 Buried
159 D I -0.5590 Soluble
160 Y I 0.0000 Buried
161 F I 0.0000 Buried
162 P I 0.0000 Buried
163 E I -0.5264 Soluble
164 P I -0.8771 Soluble
165 V I -0.5639 Soluble
166 T I -0.5922 Soluble
167 V I -0.2119 Soluble
168 S I -0.4206 Soluble
169 W I 0.0000 Buried
170 N I -0.8104 Soluble
171 S I -0.7055 Soluble
172 G I -0.5842 Soluble
173 A I -0.2731 Soluble
174 L I -0.0754 Soluble
175 T I -0.2071 Soluble
176 S I -0.1900 Soluble
177 G I -0.2525 Soluble
178 V I 0.1595 Aggregation-prone
179 H I -0.3108 Soluble
180 T I -0.1881 Soluble
181 F I 0.0000 Buried
182 P I -0.3007 Soluble
183 A I 0.2287 Aggregation-prone
184 V I 0.7320 Aggregation-prone
185 L I 1.4170 Aggregation-prone
186 Q I 0.3435 Aggregation-prone
187 S I -0.1197 Soluble
188 S I -0.2003 Soluble
189 G I 0.0607 Aggregation-prone
190 L I 0.0256 Aggregation-prone
191 Y I 0.3767 Aggregation-prone
192 S I 0.0000 Buried
193 L I 0.0000 Buried
194 S I 0.0000 Buried
195 S I 0.0000 Buried
196 V I 0.0000 Buried
197 V I 0.0000 Buried
198 T I -0.1235 Soluble
199 V I 0.0000 Buried
200 P I -0.5256 Soluble
201 S I -0.7956 Soluble
202 S I -0.5622 Soluble
203 S I -0.5157 Soluble
204 L I -0.7690 Soluble
205 G I -0.9255 Soluble
206 T I -0.6386 Soluble
207 Q I -1.0576 Soluble
208 T I -1.0323 Soluble
209 Y I 0.0000 Buried
210 I I -1.2840 Soluble
211 C I 0.0000 Buried
212 N I -1.5001 Soluble
213 V I 0.0000 Buried
214 N I -1.8741 Soluble
215 H I 0.0000 Buried
216 K I -2.7429 Soluble
217 P I -1.6899 Soluble
218 S I -1.9359 Soluble
219 N I -2.6091 Soluble
220 T I -2.1136 Soluble
221 K I -2.7296 Soluble
222 V I -1.7733 Soluble
223 D I -2.5683 Soluble
224 K I -2.1422 Soluble
225 K I -2.4048 Soluble
226 V I 0.0000 Buried
227 E I -2.4379 Soluble
228 P I -1.1959 Soluble
1 D K -1.6436 Soluble
2 I K 0.0000 Buried
3 V K 0.5563 Aggregation-prone
4 M K 0.0000 Buried
5 T K -0.5409 Soluble
6 Q K -0.3045 Soluble
7 T K -0.1557 Soluble
8 P K 0.3620 Aggregation-prone
9 L K 1.0976 Aggregation-prone
10 S K 0.1796 Aggregation-prone
11 L K -0.0967 Soluble
12 P K -0.8800 Soluble
13 V K 0.0000 Buried
14 T K -1.6860 Soluble
15 P K -1.9142 Soluble
16 G K -2.1161 Soluble
17 E K -2.3502 Soluble
18 P K -2.1260 Soluble
19 A K 0.0000 Buried
20 S K -0.6147 Soluble
21 I K 0.0000 Buried
22 S K -1.1045 Soluble
23 C K 0.0000 Buried
24 R K -2.6279 Soluble
25 S K -1.4850 Soluble
26 S K -1.2844 Soluble
27 K K -2.0153 Soluble
28 S K -1.1680 Soluble
29 L K 0.0000 Buried
30 L K 0.5130 Aggregation-prone
31 H K -0.4170 Soluble
32 S K -0.8921 Soluble
34 N K -1.4445 Soluble
35 G K -0.7632 Soluble
36 I K 0.1295 Aggregation-prone
37 T K 0.0000 Buried
38 Y K 0.3126 Aggregation-prone
39 L K 0.0000 Buried
40 Y K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 L K 0.0000 Buried
44 Q K -1.0904 Soluble
45 K K -1.6255 Soluble
46 P K -1.2738 Soluble
47 G K -1.3111 Soluble
48 Q K -2.0550 Soluble
49 S K -1.3559 Soluble
50 P K 0.0000 Buried
51 Q K -0.9125 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K 0.0253 Aggregation-prone
56 Q K 0.0033 Aggregation-prone
57 M K 0.0903 Aggregation-prone
65 S K -0.3096 Soluble
66 N K -0.2343 Soluble
67 L K -0.1110 Soluble
68 V K -0.0729 Soluble
69 S K -0.4275 Soluble
70 G K -0.5737 Soluble
71 V K -0.5012 Soluble
72 P K -1.0736 Soluble
74 D K -2.0506 Soluble
75 R K -2.0703 Soluble
76 F K 0.0000 Buried
77 S K -0.9974 Soluble
78 G K 0.0000 Buried
79 S K -0.7543 Soluble
80 G K -1.1620 Soluble
83 S K -0.6884 Soluble
84 G K -0.9241 Soluble
85 T K -1.9066 Soluble
86 D K -2.8935 Soluble
87 F K 0.0000 Buried
88 T K -1.1033 Soluble
89 L K 0.0000 Buried
90 K K -1.5799 Soluble
91 I K 0.0000 Buried
92 S K -2.1756 Soluble
93 R K -3.0806 Soluble
94 V K 0.0000 Buried
95 E K -2.6680 Soluble
96 A K -1.5494 Soluble
97 E K -2.2693 Soluble
98 D K 0.0000 Buried
99 V K -0.9130 Soluble
100 G K -1.0149 Soluble
101 V K -0.3858 Soluble
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 Q K 0.0000 Buried
107 N K -0.2731 Soluble
108 L K -0.3124 Soluble
109 E K -1.3509 Soluble
114 L K -0.1832 Soluble
115 P K -0.5878 Soluble
116 Y K 0.0000 Buried
117 T K -0.0849 Soluble
118 F K 0.1972 Aggregation-prone
119 G K 0.0000 Buried
120 G K -0.4301 Soluble
121 G K -0.3877 Soluble
122 T K 0.0000 Buried
123 K K -0.8327 Soluble
124 V K 0.0000 Buried
125 E K -1.3284 Soluble
126 I K -1.1021 Soluble
127 K K -1.5845 Soluble
128 R K -1.2166 Soluble
129 T K -0.1134 Soluble
130 V K 0.4739 Aggregation-prone
131 A K 0.0384 Aggregation-prone
132 A K -0.0468 Soluble
133 P K 0.0000 Buried
134 S K -0.0572 Soluble
135 V K 0.0115 Aggregation-prone
136 F K 0.0481 Aggregation-prone
137 I K 0.0000 Buried
138 F K 0.0000 Buried
139 P K -0.7406 Soluble
140 P K -0.7224 Soluble
141 S K -1.3916 Soluble
142 D K -2.6673 Soluble
143 E K -2.3229 Soluble
144 Q K 0.0000 Buried
145 L K -1.9731 Soluble
146 K K -2.6759 Soluble
147 S K -1.6612 Soluble
148 G K -1.4052 Soluble
149 T K -1.1456 Soluble
150 A K 0.0000 Buried
151 S K 0.0000 Buried
152 V K 0.0000 Buried
153 V K 0.0000 Buried
154 C K 0.0000 Buried
155 L K 0.0000 Buried
156 L K 0.0000 Buried
157 N K 0.0000 Buried
158 N K -0.7712 Soluble
159 F K 0.0000 Buried
160 Y K 0.0000 Buried
161 P K -1.6538 Soluble
162 R K -2.8031 Soluble
163 E K -3.0846 Soluble
164 A K -2.2272 Soluble
165 K K -2.2613 Soluble
166 V K -0.9808 Soluble
167 Q K -0.5662 Soluble
168 W K 0.0000 Buried
169 K K -0.5663 Soluble
170 V K 0.0000 Buried
171 D K -1.7750 Soluble
172 N K -1.4608 Soluble
173 A K -0.2601 Soluble
174 L K 0.7018 Aggregation-prone
175 Q K -0.2503 Soluble
176 S K -0.4372 Soluble
177 G K -0.8908 Soluble
178 N K -0.7953 Soluble
179 S K -1.0069 Soluble
180 Q K -1.1026 Soluble
181 E K -1.7013 Soluble
182 S K -0.7350 Soluble
183 V K -0.8174 Soluble
184 T K -1.1178 Soluble
185 E K -2.2904 Soluble
186 Q K -1.9070 Soluble
187 D K -1.9113 Soluble
188 S K -1.8668 Soluble
189 K K -2.2150 Soluble
190 D K -1.6610 Soluble
191 S K -1.7741 Soluble
192 T K 0.0000 Buried
193 Y K 0.0000 Buried
194 S K 0.0000 Buried
195 L K 0.0000 Buried
196 S K 0.0000 Buried
197 S K 0.0000 Buried
198 T K -0.6314 Soluble
199 L K 0.0000 Buried
200 T K -0.3619 Soluble
201 L K -0.6393 Soluble
202 S K -1.0905 Soluble
203 K K -2.1834 Soluble
204 A K -1.9409 Soluble
205 D K -2.5547 Soluble
206 Y K 0.0000 Buried
207 E K -3.6444 Soluble
208 K K -3.5939 Soluble
209 H K -2.7506 Soluble
210 K K -2.7218 Soluble
211 V K -1.0013 Soluble
212 Y K 0.0000 Buried
213 A K 0.0000 Buried
214 C K 0.0000 Buried
215 E K -0.6743 Soluble
216 V K 0.0000 Buried
217 T K -1.1427 Soluble
218 H K 0.0000 Buried
219 Q K -1.6887 Soluble
220 G K -0.3853 Soluble
221 L K -0.2192 Soluble
222 S K -0.4513 Soluble
223 S K -0.4211 Soluble
224 P K -0.5426 Soluble
225 V K 0.0192 Aggregation-prone
226 T K -0.4778 Soluble
227 K K -0.7595 Soluble
228 S K -0.5179 Soluble
229 F K -0.7273 Soluble
230 N K -1.4719 Soluble
231 R K -2.0770 Soluble
232 G K -1.7957 Soluble
233 E K -2.0427 Soluble
234 C K -0.5345 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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
Load structure at specific pH condition
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 -0.6604 3.9552 CSV PDB
4.5 -0.7111 3.8289 CSV PDB
5.0 -0.7701 3.6549 CSV PDB
5.5 -0.8255 3.4563 CSV PDB
6.0 -0.8645 3.2485 CSV PDB
6.5 -0.8773 3.0375 CSV PDB
7.0 -0.8639 2.8258 CSV PDB
7.5 -0.8334 2.6148 CSV PDB
8.0 -0.7936 2.4066 CSV PDB
8.5 -0.7469 2.2071 CSV PDB
9.0 -0.693 2.0303 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH