Quilizumab / 3hr5

A4DAB215_3hr5_H_L | Source PDB: 3hr5 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6433
Max Score
1.8495
Min Score
-3.3495
Total Score
-281.77
Score CDR
-0.1571
Score non-CDR
-0.7046

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYGIAWVRQAPGKGLEWVAFISDLAYTIYYADTVTGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDNWDAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITRSSQSLVHNNANTYLHWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCSQNTLVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.3495
Maximum Score 1.8495
Average Score -0.6433
Total Score -281.7723

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

Index Residue Chain A4D Score Classification
1 E H -2.0242 Soluble
2 V H -1.0418 Soluble
3 Q H -0.9156 Soluble
4 L H 0.0000 Buried
5 V H 1.0582 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2288 Soluble
8 G H -0.8458 Soluble
9 G H -0.4149 Soluble
11 G H -0.2554 Soluble
12 L H -0.0396 Soluble
13 V H 0.0000 Buried
14 Q H -1.6526 Soluble
15 P H -1.6827 Soluble
16 G H -1.4266 Soluble
17 G H -1.1413 Soluble
18 S H -1.3335 Soluble
19 L H -1.1156 Soluble
20 R H -2.1328 Soluble
21 L H 0.0000 Buried
22 S H -0.3627 Soluble
23 C H 0.0000 Buried
24 A H -0.0878 Soluble
25 A H 0.0000 Buried
26 S H -0.7508 Soluble
27 G H -1.0961 Soluble
28 F H -0.7016 Soluble
29 T H -0.7125 Soluble
30 F H 0.0000 Buried
35 S H -1.1007 Soluble
36 D H -1.6821 Soluble
37 Y H -0.6069 Soluble
38 G H 0.0000 Buried
39 I H 0.0000 Buried
40 A 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 -0.8684 Soluble
45 A H -1.2325 Soluble
46 P H -0.9905 Soluble
47 G H -1.4873 Soluble
48 K H -2.3586 Soluble
49 G H -1.5983 Soluble
50 L H 0.0000 Buried
51 E H -1.2160 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 F H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 D H -0.0705 Soluble
59 L H 1.2549 Aggregation-prone
62 A H 1.2282 Aggregation-prone
63 Y H 1.8495 Aggregation-prone
64 T H 1.2986 Aggregation-prone
65 I H 1.5569 Aggregation-prone
66 Y H 1.0006 Aggregation-prone
67 Y H 0.2841 Aggregation-prone
68 A H 0.0000 Buried
69 D H -1.7713 Soluble
70 T H -1.2987 Soluble
71 V H 0.0000 Buried
72 T H -0.8798 Soluble
74 G H -0.9962 Soluble
75 R H -0.9250 Soluble
76 F H 0.0000 Buried
77 T H -0.4833 Soluble
78 I H 0.0000 Buried
79 S H -0.2395 Soluble
80 R H -0.7697 Soluble
81 D H -1.3274 Soluble
82 N H -1.7245 Soluble
83 S H -1.6212 Soluble
84 K H -2.4231 Soluble
85 N H -1.9146 Soluble
86 T H -1.0473 Soluble
87 L H 0.0000 Buried
88 Y H -0.5561 Soluble
89 L H 0.0000 Buried
90 Q H -1.3468 Soluble
91 M H 0.0000 Buried
92 N H -1.5776 Soluble
93 S H -1.3172 Soluble
94 L H 0.0000 Buried
95 R H -2.2832 Soluble
96 A H -1.6785 Soluble
97 E H -2.2170 Soluble
98 D H 0.0000 Buried
99 T H -0.7064 Soluble
100 A H 0.0000 Buried
101 V H 0.1490 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 0.0000 Buried
107 D H 0.0000 Buried
108 N H -0.3288 Soluble
109 W H 0.1330 Aggregation-prone
113 D H -0.2274 Soluble
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H -0.1353 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3257 Soluble
121 G H 0.0000 Buried
122 T H 0.0839 Aggregation-prone
123 L H 0.2151 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4005 Soluble
126 V H 0.0000 Buried
127 S H -0.8193 Soluble
128 S H -0.6687 Soluble
129 A H -0.3926 Soluble
130 S H -0.5006 Soluble
131 T H -0.6422 Soluble
132 K H -1.0432 Soluble
133 G H -1.2947 Soluble
134 P H 0.0000 Buried
135 S H -0.2839 Soluble
136 V H 0.0000 Buried
137 F H -0.3648 Soluble
138 P H -0.7424 Soluble
139 L H 0.0000 Buried
140 A H -0.9858 Soluble
141 P H 0.0000 Buried
142 S H -0.8346 Soluble
143 S H -1.2301 Soluble
144 K H -1.8602 Soluble
145 S H -1.1360 Soluble
146 T H -0.7819 Soluble
147 S H -0.6995 Soluble
148 G H -0.9479 Soluble
149 G H -0.8911 Soluble
150 T H -0.6017 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 -0.2939 Soluble
160 Y H 0.0000 Buried
161 F H -0.1330 Soluble
162 P H 0.0000 Buried
163 E H -0.6687 Soluble
164 P H -0.7300 Soluble
165 V H -0.6288 Soluble
166 T H -0.5093 Soluble
167 V H -0.1338 Soluble
168 S H -0.4261 Soluble
169 W H 0.0000 Buried
170 N H -0.9484 Soluble
171 S H -0.7797 Soluble
172 G H -0.6277 Soluble
173 A H -0.2946 Soluble
174 L H -0.0403 Soluble
175 T H -0.1894 Soluble
176 S H -0.1797 Soluble
177 G H -0.2169 Soluble
178 V H 0.1497 Aggregation-prone
179 H H -0.2442 Soluble
180 T H 0.0090 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1160 Soluble
183 A H 0.4588 Aggregation-prone
184 V H 0.6584 Aggregation-prone
185 L H 1.4696 Aggregation-prone
186 Q H 0.3826 Aggregation-prone
187 S H -0.0801 Soluble
188 S H -0.1455 Soluble
189 G H 0.1947 Aggregation-prone
190 L H 0.3029 Aggregation-prone
191 Y H 0.5969 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 -0.1245 Soluble
199 V H 0.0000 Buried
200 P H -0.6144 Soluble
201 S H -0.6373 Soluble
202 S H -0.6612 Soluble
203 S H 0.0000 Buried
204 L H -0.7391 Soluble
205 G H -1.0146 Soluble
206 T H -0.7430 Soluble
207 Q H -1.2983 Soluble
208 T H -1.1596 Soluble
209 Y H 0.0000 Buried
210 I H -1.2950 Soluble
211 C H 0.0000 Buried
212 N H -1.4522 Soluble
213 V H 0.0000 Buried
214 N H -1.7719 Soluble
215 H H 0.0000 Buried
216 K H -2.7367 Soluble
217 P H -1.5558 Soluble
218 S H -1.7683 Soluble
219 N H -2.5026 Soluble
220 T H -2.0180 Soluble
221 K H -2.6668 Soluble
222 V H -1.6626 Soluble
223 D H -2.4696 Soluble
224 K H -1.9981 Soluble
225 K H -2.2053 Soluble
226 V H 0.0000 Buried
227 E H -2.5360 Soluble
228 P H -1.7291 Soluble
229 K H -2.3727 Soluble
230 S H -1.1047 Soluble
231 C H -0.7950 Soluble
1 D L -1.9542 Soluble
2 I L 0.0000 Buried
3 Q L -2.2576 Soluble
4 M L 0.0000 Buried
5 T L -1.3638 Soluble
6 Q L 0.0000 Buried
7 S L -0.7607 Soluble
8 P L -0.7040 Soluble
9 S L -0.9814 Soluble
10 S L -1.0481 Soluble
11 L L -0.6564 Soluble
12 S L -0.7896 Soluble
13 A L -0.9988 Soluble
14 S L -0.9698 Soluble
15 V L -0.1085 Soluble
16 G L -0.8847 Soluble
17 D L -1.8928 Soluble
18 R L -2.3327 Soluble
19 V L 0.0000 Buried
20 T L -0.6224 Soluble
21 I L 0.0000 Buried
22 T L -0.8272 Soluble
24 R L -2.7050 Soluble
25 S L 0.0000 Buried
26 S L -2.0268 Soluble
27 Q L -1.9349 Soluble
28 S L -0.7499 Soluble
29 L L 0.0000 Buried
30 V L 0.4989 Aggregation-prone
31 H L -0.7635 Soluble
32 N L -1.8355 Soluble
34 N L -1.9182 Soluble
35 A L -0.9475 Soluble
36 N L -0.9523 Soluble
37 T L -0.2943 Soluble
38 Y L 0.0000 Buried
39 L L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -1.0087 Soluble
44 Q L 0.0000 Buried
45 K L -1.8178 Soluble
46 P L -1.4526 Soluble
47 G L -1.8032 Soluble
48 K L -2.6002 Soluble
49 A L -1.7149 Soluble
50 P L 0.0000 Buried
51 K L -1.5747 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3792 Soluble
56 K L -0.7573 Soluble
57 V L 0.0000 Buried
65 S L -0.8872 Soluble
66 N L -1.1936 Soluble
67 R L -1.4282 Soluble
68 F L -0.7374 Soluble
69 S L -0.5976 Soluble
70 G L -0.6423 Soluble
71 V L -0.6853 Soluble
72 P L -0.5196 Soluble
74 S L -0.6540 Soluble
75 R L -0.7635 Soluble
76 F L 0.0000 Buried
77 S L -0.6472 Soluble
78 G L 0.0000 Buried
79 S L -0.6702 Soluble
80 G L -0.9379 Soluble
83 S L -0.5045 Soluble
84 G L -0.7240 Soluble
85 T L -1.4328 Soluble
86 D L -1.9641 Soluble
87 F L 0.0000 Buried
88 T L -0.6851 Soluble
89 L L 0.0000 Buried
90 T L -0.5848 Soluble
91 I L 0.0000 Buried
92 S L -1.3606 Soluble
93 S L -1.2044 Soluble
94 L L 0.0000 Buried
95 Q L -1.0663 Soluble
96 P L -1.5961 Soluble
97 E L -1.9885 Soluble
98 D L 0.0000 Buried
99 F L -1.3632 Soluble
100 A L 0.0000 Buried
101 T L 0.0000 Buried
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 S L 0.0000 Buried
106 Q L 0.0000 Buried
107 N L 0.3021 Aggregation-prone
108 T L 0.0000 Buried
109 L L 0.9462 Aggregation-prone
114 V L 1.2235 Aggregation-prone
115 P L 0.1589 Aggregation-prone
116 W L 0.0000 Buried
117 T L -0.4454 Soluble
118 F L -0.4557 Soluble
119 G L 0.0000 Buried
120 Q L -1.5688 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9672 Soluble
124 V L 0.0000 Buried
125 E L -1.1236 Soluble
126 I L 0.0000 Buried
127 K L -1.3908 Soluble
128 R L -1.0859 Soluble
129 T L -0.3006 Soluble
130 V L 0.0842 Aggregation-prone
131 A L -0.1741 Soluble
132 A L -0.2125 Soluble
133 P L 0.0000 Buried
134 S L -0.1146 Soluble
135 V L 0.0000 Buried
136 F L 0.0367 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.8233 Soluble
140 P L -0.7273 Soluble
141 S L -1.4622 Soluble
142 D L -2.5420 Soluble
143 E L -1.8855 Soluble
144 Q L 0.0000 Buried
145 L L -1.8263 Soluble
146 K L -2.4707 Soluble
147 S L -1.5572 Soluble
148 G L -1.1810 Soluble
149 T L -0.9094 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 -0.8535 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6052 Soluble
162 R L -2.4433 Soluble
163 E L -2.9595 Soluble
164 A L -2.2200 Soluble
165 K L -2.2737 Soluble
166 V L -1.1967 Soluble
167 Q L -0.7891 Soluble
168 W L 0.0000 Buried
169 K L -0.7252 Soluble
170 V L 0.0000 Buried
171 D L -1.6271 Soluble
172 N L -1.5121 Soluble
173 A L -0.4849 Soluble
174 L L 0.1317 Aggregation-prone
175 Q L -0.3991 Soluble
176 S L -0.5671 Soluble
177 G L -0.9162 Soluble
178 N L -0.8500 Soluble
179 S L -1.1723 Soluble
180 Q L -1.4530 Soluble
181 E L -1.6841 Soluble
182 S L -0.8018 Soluble
183 V L -0.4407 Soluble
184 T L -0.9141 Soluble
185 E L -1.9226 Soluble
186 Q L 0.0000 Buried
187 D L -2.0621 Soluble
188 S L -2.1658 Soluble
189 K L -2.5610 Soluble
190 D L -1.8963 Soluble
191 S L 0.0000 Buried
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 -0.6785 Soluble
199 L L 0.0000 Buried
200 T L -0.4322 Soluble
201 L L -0.6081 Soluble
202 S L -1.0371 Soluble
203 K L -2.0066 Soluble
204 A L -1.7907 Soluble
205 D L -2.3184 Soluble
206 Y L 0.0000 Buried
207 E L -3.2360 Soluble
208 K L -3.3495 Soluble
209 H L -2.4599 Soluble
210 K L -2.1742 Soluble
211 V L -0.7238 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6354 Soluble
216 V L 0.0000 Buried
217 T L -1.1942 Soluble
218 H L 0.0000 Buried
219 Q L -1.5439 Soluble
220 G L -0.5133 Soluble
221 L L -0.3203 Soluble
222 S L -0.4856 Soluble
223 S L -0.4043 Soluble
224 P L -0.4964 Soluble
225 V L 0.1677 Aggregation-prone
226 T L -0.3472 Soluble
227 K L -0.6296 Soluble
228 S L -0.8047 Soluble
229 F L 0.0000 Buried
230 N L -1.3123 Soluble
231 R L -1.8334 Soluble
232 G L -1.5927 Soluble
233 E L -2.0281 Soluble
234 C L -0.3159 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.6853 2.3259 CSV PDB
4.5 -0.7249 2.3046 CSV PDB
5.0 -0.7707 2.2826 CSV PDB
5.5 -0.8136 2.2606 CSV PDB
6.0 -0.8429 2.2385 CSV PDB
6.5 -0.8501 2.2166 CSV PDB
7.0 -0.8353 2.1952 CSV PDB
7.5 -0.8062 2.1754 CSV PDB
8.0 -0.7694 2.1591 CSV PDB
8.5 -0.7268 2.1484 CSV PDB
9.0 -0.6782 2.142 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH