Obinutuzumab / 6y9a

A4DAB184_6y9a_H_L | Source PDB: 6y9a | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7177
Max Score
2.1762
Min Score
-3.793
Total Score
-313.61
Score CDR
-0.1953
Score non-CDR
-0.7867

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVKVSCKASGYAFSYSWINWVRQAPGQGLEWMGRIFPGDGDTDYNGKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCARNVFDGYWLVYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIVMTQTPLSLPVTPGEPASISCRSSKSLLHSNGITYLYWYLQKPGQSPQLLIYQMSNLVSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQNLELPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.793
Maximum Score 2.1762
Average Score -0.7177
Total Score -313.6147

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

Index Residue Chain A4D Score Classification
2 V H 1.2068 Aggregation-prone
3 Q H 0.0807 Aggregation-prone
4 L H 0.3970 Aggregation-prone
5 V H 0.8316 Aggregation-prone
6 Q H -0.0859 Soluble
7 S H -0.7791 Soluble
8 G H -0.7381 Soluble
9 A H -0.6866 Soluble
11 E H -1.5046 Soluble
12 V H -0.3808 Soluble
13 K H -1.2017 Soluble
14 K H -2.1804 Soluble
15 P H -1.8949 Soluble
16 G H -1.4884 Soluble
17 S H -1.2358 Soluble
18 S H -1.1462 Soluble
19 V H -1.1684 Soluble
20 K H -1.9892 Soluble
21 V H 0.0000 Buried
22 S H -0.4021 Soluble
23 C H 0.0000 Buried
24 K H -0.5806 Soluble
25 A H -0.1371 Soluble
26 S H -0.1440 Soluble
27 G H -0.0189 Soluble
28 Y H 0.4370 Aggregation-prone
29 A H 0.5071 Aggregation-prone
30 F H 0.1811 Aggregation-prone
35 S H 0.1537 Aggregation-prone
36 Y H 1.5604 Aggregation-prone
37 S H 0.0000 Buried
38 W H 0.5287 Aggregation-prone
39 I H 0.0000 Buried
40 N 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 -0.5400 Soluble
45 A H -1.0027 Soluble
46 P H -0.8972 Soluble
47 G H -1.2463 Soluble
48 Q H -1.7514 Soluble
49 G H 0.0000 Buried
50 L H 0.0000 Buried
51 E H -0.9219 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H 0.0000 Buried
56 I H 0.0000 Buried
57 F H -0.8825 Soluble
58 P H -1.1570 Soluble
59 G H -1.5575 Soluble
62 D H -2.6604 Soluble
63 G H -2.1266 Soluble
64 D H -2.4945 Soluble
65 T H -1.1554 Soluble
66 D H -0.5580 Soluble
67 Y H -0.1117 Soluble
68 N H -0.9210 Soluble
69 G H -1.7584 Soluble
70 K H -2.4297 Soluble
71 F H -1.6663 Soluble
72 K H -2.7502 Soluble
74 G H -2.2385 Soluble
75 R H -2.5853 Soluble
76 V H 0.0000 Buried
77 T H -0.6621 Soluble
78 I H -0.0626 Soluble
79 T H -0.2141 Soluble
80 A H -0.7978 Soluble
81 D H -1.2405 Soluble
82 K H -1.6937 Soluble
83 S H -1.0269 Soluble
84 T H -0.8678 Soluble
85 S H -0.9915 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.3207 Soluble
89 M H 0.0000 Buried
90 E H -1.5400 Soluble
91 L H 0.0000 Buried
92 S H -1.1628 Soluble
93 S H -1.1459 Soluble
94 L H 0.0000 Buried
95 R H -2.9808 Soluble
96 S H -2.3018 Soluble
97 E H -2.6642 Soluble
98 D H -1.7818 Soluble
99 T H -0.9014 Soluble
100 A H 0.0000 Buried
101 V H 0.3771 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.6471 Aggregation-prone
107 N H 0.0000 Buried
108 V H 1.2502 Aggregation-prone
109 F H 1.0823 Aggregation-prone
110 D H -0.9321 Soluble
112 G H -0.2927 Soluble
113 Y H 0.7226 Aggregation-prone
114 W H 0.6803 Aggregation-prone
115 L H 0.0000 Buried
116 V H 0.9505 Aggregation-prone
117 Y H 1.1103 Aggregation-prone
118 W H 0.2579 Aggregation-prone
119 G H 0.0000 Buried
120 Q H -1.0252 Soluble
121 G H -0.3876 Soluble
122 T H 0.0000 Buried
123 L H 0.5132 Aggregation-prone
124 V H 0.2919 Aggregation-prone
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.0332 Soluble
128 S H -1.0011 Soluble
129 A H -0.7312 Soluble
130 S H -0.9142 Soluble
131 T H -0.9247 Soluble
132 K H -1.7112 Soluble
133 G H -1.5420 Soluble
134 P H -0.8779 Soluble
135 S H -0.4671 Soluble
136 V H 0.0000 Buried
137 F H -0.7553 Soluble
138 P H -0.8126 Soluble
139 L H 0.0000 Buried
140 A H -1.3175 Soluble
141 P H 0.0000 Buried
142 S H -1.3249 Soluble
143 S H -1.5271 Soluble
144 K H -1.7723 Soluble
145 S H -1.0752 Soluble
146 T H -1.0833 Soluble
147 S H -0.9621 Soluble
148 G H -0.8771 Soluble
149 G H -0.8513 Soluble
150 T H -0.6058 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.1227 Aggregation-prone
155 C H 0.0000 Buried
156 L H 0.2152 Aggregation-prone
157 V H 0.0000 Buried
158 K H -0.3311 Soluble
159 D H -0.9441 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H -0.9728 Soluble
163 E H -0.8754 Soluble
164 P H -0.9774 Soluble
165 V H -0.5375 Soluble
166 T H -0.4724 Soluble
167 V H -0.1192 Soluble
168 S H -0.4845 Soluble
169 W H 0.0000 Buried
170 N H -1.1976 Soluble
171 S H -0.8683 Soluble
172 G H -0.6499 Soluble
173 A H -0.3833 Soluble
174 L H -0.1394 Soluble
175 T H -0.2234 Soluble
176 S H -0.2520 Soluble
177 G H -0.5659 Soluble
178 V H 0.0842 Aggregation-prone
179 H H -0.3495 Soluble
180 T H 0.0217 Aggregation-prone
181 F H 0.0000 Buried
182 P H 0.4136 Aggregation-prone
183 A H 0.9813 Aggregation-prone
184 V H 2.1762 Aggregation-prone
185 L H 1.8296 Aggregation-prone
186 Q H 0.1568 Aggregation-prone
187 S H -0.3499 Soluble
188 S H -0.3485 Soluble
189 G H -0.2636 Soluble
190 L H -0.3151 Soluble
191 Y H 0.0000 Buried
192 S H 0.2058 Aggregation-prone
193 L H 0.2775 Aggregation-prone
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 -0.2654 Soluble
199 V H 0.0000 Buried
200 P H -0.5060 Soluble
201 S H -0.5720 Soluble
202 S H -0.6566 Soluble
203 S H -0.6567 Soluble
204 L H -1.0205 Soluble
205 G H -1.1781 Soluble
206 T H -1.0588 Soluble
207 Q H -1.4686 Soluble
208 T H -1.3247 Soluble
209 Y H -0.9220 Soluble
210 I H -1.1866 Soluble
211 C H 0.0000 Buried
212 N H -1.6824 Soluble
213 V H 0.0000 Buried
214 N H -1.7997 Soluble
215 H H 0.0000 Buried
216 K H -2.7371 Soluble
217 P H -1.7343 Soluble
218 S H -1.9458 Soluble
219 N H -2.5407 Soluble
220 T H -2.0621 Soluble
221 K H -2.6057 Soluble
222 V H -1.6906 Soluble
223 D H -2.8256 Soluble
224 K H -2.6146 Soluble
225 K H -2.7436 Soluble
227 E H -2.7911 Soluble
228 P H -2.1088 Soluble
229 K H -2.3301 Soluble
1 D L -1.4014 Soluble
2 I L 0.2560 Aggregation-prone
3 V L 1.1568 Aggregation-prone
4 M L 0.3563 Aggregation-prone
5 T L 0.0370 Aggregation-prone
6 Q L -0.3299 Soluble
7 T L -0.0404 Soluble
8 P L 0.3302 Aggregation-prone
9 L L 1.0094 Aggregation-prone
10 S L 0.1373 Aggregation-prone
11 L L 0.0223 Aggregation-prone
12 P L -0.6857 Soluble
13 V L 0.0000 Buried
14 T L -1.2263 Soluble
15 P L -1.7277 Soluble
16 G L -2.0981 Soluble
17 E L -2.3869 Soluble
18 P L -1.5712 Soluble
19 A L -1.2268 Soluble
20 S L -0.5683 Soluble
21 I L 0.0000 Buried
22 S L -1.1439 Soluble
23 C L 0.0000 Buried
24 R L -2.5476 Soluble
25 S L -1.4824 Soluble
26 S L -1.0359 Soluble
27 K L -1.6397 Soluble
28 S L -1.2668 Soluble
29 L L 0.0000 Buried
30 L L 0.7540 Aggregation-prone
31 H L -0.6609 Soluble
32 S L -0.6197 Soluble
34 N L -0.9845 Soluble
35 G L -0.3564 Soluble
36 I L 0.6698 Aggregation-prone
37 T L 0.5041 Aggregation-prone
38 Y L 0.6163 Aggregation-prone
39 L L 0.0000 Buried
40 Y L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L -1.1743 Soluble
45 K L -1.5163 Soluble
46 P L -1.2399 Soluble
47 G L -1.4118 Soluble
48 Q L -2.0756 Soluble
49 S L -1.3916 Soluble
50 P L -0.9842 Soluble
51 Q L -0.9224 Soluble
52 L L 0.1300 Aggregation-prone
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0372 Soluble
56 Q L -0.1945 Soluble
57 M L 0.0000 Buried
65 S L -0.8858 Soluble
66 N L -1.3340 Soluble
67 L L -0.5663 Soluble
68 V L 0.0343 Aggregation-prone
69 S L -0.4545 Soluble
70 G L -0.5821 Soluble
71 V L -0.4364 Soluble
72 P L -1.1233 Soluble
74 D L -2.4349 Soluble
75 R L -2.3854 Soluble
76 F L 0.0000 Buried
77 S L -1.3575 Soluble
78 G L -0.9719 Soluble
79 S L -1.0501 Soluble
80 G L -1.3445 Soluble
83 S L -0.9029 Soluble
84 G L 0.0000 Buried
85 T L -1.6554 Soluble
86 D L -2.3301 Soluble
87 F L 0.0000 Buried
88 T L -1.2184 Soluble
89 L L 0.0000 Buried
90 K L -1.8432 Soluble
91 I L -2.0233 Soluble
92 S L -2.3148 Soluble
93 R L -3.2165 Soluble
94 V L -2.4300 Soluble
95 E L -2.4848 Soluble
96 A L -1.8209 Soluble
97 E L -2.3435 Soluble
98 D L -1.4885 Soluble
99 V L -1.0188 Soluble
100 G L -0.9280 Soluble
101 V L -0.4719 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 A L 0.0000 Buried
106 Q L 0.0000 Buried
107 N L -0.2633 Soluble
108 L L -0.3225 Soluble
109 E L -1.3736 Soluble
114 L L 0.0135 Aggregation-prone
115 P L -0.4044 Soluble
116 Y L -0.0811 Soluble
117 T L 0.0000 Buried
118 F L 0.3050 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.3466 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1733 Soluble
124 V L -0.4716 Soluble
125 E L -0.8943 Soluble
126 I L -0.8684 Soluble
127 K L -1.0387 Soluble
128 R L -0.7598 Soluble
129 T L 0.2668 Aggregation-prone
130 V L 1.2307 Aggregation-prone
131 A L 0.5436 Aggregation-prone
132 A L 0.1470 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.0695 Soluble
135 V L 0.0000 Buried
136 F L 0.4062 Aggregation-prone
137 I L 0.5198 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3941 Soluble
140 P L -0.5154 Soluble
141 S L -1.2813 Soluble
142 D L -2.5101 Soluble
143 E L -2.0984 Soluble
144 Q L 0.0000 Buried
145 L L -2.0721 Soluble
146 K L -2.6231 Soluble
147 S L -1.6680 Soluble
148 G L -1.2161 Soluble
149 T L -0.9976 Soluble
150 A L 0.0000 Buried
151 S L -0.0437 Soluble
152 V L 0.0000 Buried
153 V L 0.4032 Aggregation-prone
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L -0.3601 Soluble
158 N L -0.5216 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.0723 Soluble
162 R L -1.7111 Soluble
163 E L -2.6785 Soluble
164 A L -2.0219 Soluble
165 K L -2.1360 Soluble
166 V L -0.9658 Soluble
167 Q L -0.4532 Soluble
168 W L -0.2624 Soluble
169 K L -0.7167 Soluble
170 V L 0.0000 Buried
171 D L -2.5007 Soluble
172 N L -1.8092 Soluble
173 A L -0.6462 Soluble
174 L L 0.4989 Aggregation-prone
175 Q L -0.4280 Soluble
176 S L -0.6234 Soluble
177 G L -1.1234 Soluble
178 N L -1.2185 Soluble
179 S L -1.3622 Soluble
180 Q L -1.2058 Soluble
181 E L -1.4555 Soluble
182 S L 0.0000 Buried
183 V L -0.0392 Soluble
184 T L -0.8040 Soluble
185 E L -2.1172 Soluble
186 Q L -2.2140 Soluble
187 D L -2.3873 Soluble
188 S L -2.1223 Soluble
189 K L -2.8975 Soluble
190 D L -2.9865 Soluble
191 S L -2.2663 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 -0.7464 Soluble
199 L L 0.0000 Buried
200 T L -0.2415 Soluble
201 L L -0.7541 Soluble
202 S L -1.1642 Soluble
203 K L -2.2381 Soluble
204 A L -2.1489 Soluble
205 D L -2.8238 Soluble
206 Y L 0.0000 Buried
207 E L -3.7930 Soluble
208 K L -3.7207 Soluble
209 H L -3.2309 Soluble
210 K L -3.0506 Soluble
211 V L -1.4206 Soluble
212 Y L 0.0000 Buried
213 A L -0.7158 Soluble
214 C L 0.0000 Buried
215 E L -0.6184 Soluble
216 V L 0.0000 Buried
217 T L -1.0536 Soluble
218 H L -1.3872 Soluble
219 Q L -1.2660 Soluble
220 G L -0.3001 Soluble
221 L L -0.3745 Soluble
222 S L -0.4610 Soluble
223 S L -0.4476 Soluble
224 P L -0.2071 Soluble
225 V L 0.0585 Aggregation-prone
226 T L -0.2496 Soluble
227 K L -0.3723 Soluble
228 S L -0.5134 Soluble
229 F L -0.9581 Soluble
230 N L -1.8186 Soluble
231 R L -2.0738 Soluble
232 G L -1.7696 Soluble
233 E L -2.2231 Soluble
234 C L -1.1860 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
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 -0.6696 3.7348 CSV PDB
4.5 -0.723 3.5423 CSV PDB
5.0 -0.7868 3.3369 CSV PDB
5.5 -0.8479 3.1269 CSV PDB
6.0 -0.8909 2.9157 CSV PDB
6.5 -0.905 2.7048 CSV PDB
7.0 -0.8907 2.5269 CSV PDB
7.5 -0.8572 2.5096 CSV PDB
8.0 -0.8128 2.503 CSV PDB
8.5 -0.7603 2.5008 CSV PDB
9.0 -0.6996 2.5001 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH