Quilizumab / 3hr5

A4DAB215_3hr5_I_P | Source PDB: 3hr5 | Chains: I, P | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.666
Max Score
1.7802
Min Score
-3.4538
Total Score
-292.35
Score CDR
-0.1303
Score non-CDR
-0.7333

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYGIAWVRQAPGKGLEWVAFISDLAYTIYYADTVTGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDNWDAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRSSQSLVHNNANTYLHWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCSQNTLVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) I (Heavy), P (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 -3.4538
Maximum Score 1.7802
Average Score -0.666
Total Score -292.3527

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

Index Residue Chain A4D Score Classification
1 E I -2.0591 Soluble
2 V I -1.0882 Soluble
3 Q I -1.2074 Soluble
4 L I 0.0000 Buried
5 V I 0.9730 Aggregation-prone
6 E I 0.0000 Buried
7 S I -0.1879 Soluble
8 G I -0.8721 Soluble
9 G I -0.3724 Soluble
11 G I -0.2559 Soluble
12 L I -0.0264 Soluble
13 V I -0.6749 Soluble
14 Q I -1.6726 Soluble
15 P I -1.8367 Soluble
16 G I -1.6068 Soluble
17 G I -1.2630 Soluble
18 S I -1.4070 Soluble
19 L I -1.1163 Soluble
20 R I -2.2139 Soluble
21 L I 0.0000 Buried
22 S I -0.3575 Soluble
23 C I 0.0000 Buried
24 A I -0.1632 Soluble
25 A I 0.0000 Buried
26 S I -0.7756 Soluble
27 G I -1.1005 Soluble
28 F I -0.6459 Soluble
29 T I -0.6801 Soluble
30 F I 0.0000 Buried
35 S I -1.1247 Soluble
36 D I -1.6876 Soluble
37 Y I -0.5992 Soluble
38 G I 0.0000 Buried
39 I I 0.0000 Buried
40 A 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 -0.8051 Soluble
45 A I -1.1926 Soluble
46 P I -0.9685 Soluble
47 G I -1.4751 Soluble
48 K I -2.3460 Soluble
49 G I -1.5698 Soluble
50 L I 0.0000 Buried
51 E I -1.0218 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 F I 0.0000 Buried
56 I I 0.0000 Buried
57 S I 0.0000 Buried
58 D I -0.0535 Soluble
59 L I 1.0203 Aggregation-prone
62 A I 1.1214 Aggregation-prone
63 Y I 1.7802 Aggregation-prone
64 T I 1.2356 Aggregation-prone
65 I I 1.4419 Aggregation-prone
66 Y I 0.9628 Aggregation-prone
67 Y I 0.3076 Aggregation-prone
68 A I 0.0000 Buried
69 D I -1.7769 Soluble
70 T I -1.2360 Soluble
71 V I 0.0000 Buried
72 T I -0.8542 Soluble
74 G I -0.9783 Soluble
75 R I -0.9876 Soluble
76 F I 0.0000 Buried
77 T I -0.5558 Soluble
78 I I 0.0000 Buried
79 S I -0.2446 Soluble
80 R I -0.7646 Soluble
81 D I -1.3456 Soluble
82 N I -1.7529 Soluble
83 S I -1.6284 Soluble
84 K I -2.4037 Soluble
85 N I -1.8433 Soluble
86 T I -0.9978 Soluble
87 L I 0.0000 Buried
88 Y I -0.6119 Soluble
89 L I 0.0000 Buried
90 Q I -1.6366 Soluble
91 M I 0.0000 Buried
92 N I -1.6799 Soluble
93 S I -1.4595 Soluble
94 L I 0.0000 Buried
95 R I -2.9019 Soluble
96 A I -1.9766 Soluble
97 E I -2.4263 Soluble
98 D I 0.0000 Buried
99 T I -0.7792 Soluble
100 A I 0.0000 Buried
101 V I 0.3150 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 0.0000 Buried
107 D I 0.0000 Buried
108 N I -0.1688 Soluble
109 W I 0.2319 Aggregation-prone
113 D I -0.1232 Soluble
114 A I 0.0000 Buried
115 M I 0.0000 Buried
116 D I 0.0000 Buried
117 Y I -0.0004 Soluble
118 W I -0.2575 Soluble
119 G I 0.0000 Buried
120 Q I -1.2769 Soluble
121 G I 0.0000 Buried
122 T I 0.0883 Aggregation-prone
123 L I 0.1151 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.4701 Soluble
126 V I 0.0000 Buried
127 S I -0.8076 Soluble
128 S I -0.7343 Soluble
129 A I -0.4436 Soluble
130 S I -0.5797 Soluble
131 T I -0.6638 Soluble
132 K I -1.2608 Soluble
133 G I -1.4129 Soluble
134 P I -0.6223 Soluble
135 S I -0.3751 Soluble
136 V I 0.0000 Buried
137 F I 0.0000 Buried
138 P I -0.8993 Soluble
139 L I 0.0000 Buried
140 A I -0.9991 Soluble
141 P I 0.0000 Buried
142 S I -0.9991 Soluble
143 S I -1.2709 Soluble
144 K I -1.7865 Soluble
145 S I -1.1189 Soluble
146 T I -0.9683 Soluble
147 S I -0.6969 Soluble
148 G I -0.9512 Soluble
149 G I -0.8872 Soluble
150 T I -0.6163 Soluble
151 A I -0.3548 Soluble
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 -0.3221 Soluble
160 Y I 0.0000 Buried
161 F I 0.0000 Buried
162 P I 0.0000 Buried
163 E I -0.6448 Soluble
164 P I -0.7738 Soluble
165 V I -0.6963 Soluble
166 T I -0.6678 Soluble
167 V I -0.1446 Soluble
168 S I -0.4287 Soluble
169 W I 0.0000 Buried
170 N I -0.9030 Soluble
171 S I -0.7271 Soluble
172 G I -0.5637 Soluble
173 A I -0.2655 Soluble
174 L I -0.0388 Soluble
175 T I -0.1737 Soluble
176 S I -0.1796 Soluble
177 G I -0.2293 Soluble
178 V I 0.2161 Aggregation-prone
179 H I 0.0000 Buried
180 T I 0.0505 Aggregation-prone
181 F I 0.0000 Buried
182 P I -0.3842 Soluble
183 A I 0.1735 Aggregation-prone
184 V I 0.3901 Aggregation-prone
185 L I 1.1830 Aggregation-prone
186 Q I 0.1939 Aggregation-prone
187 S I -0.0275 Soluble
188 S I -0.1660 Soluble
189 G I 0.1021 Aggregation-prone
190 L I 0.1660 Aggregation-prone
191 Y I 0.4844 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 -0.1355 Soluble
199 V I 0.0000 Buried
200 P I -0.6694 Soluble
201 S I -0.6568 Soluble
202 S I -0.7192 Soluble
203 S I -0.6673 Soluble
204 L I -0.8811 Soluble
205 G I -1.1508 Soluble
206 T I -0.8660 Soluble
207 Q I -1.5442 Soluble
208 T I -1.3387 Soluble
209 Y I 0.0000 Buried
210 I I -1.3949 Soluble
211 C I 0.0000 Buried
212 N I -1.5447 Soluble
213 V I 0.0000 Buried
214 N I -2.1494 Soluble
215 H I 0.0000 Buried
216 K I -2.8235 Soluble
217 P I -1.6473 Soluble
218 S I -1.8662 Soluble
219 N I -2.6127 Soluble
220 T I -2.1296 Soluble
221 K I -2.7920 Soluble
222 V I -1.7727 Soluble
223 D I -2.5757 Soluble
224 K I -2.2014 Soluble
225 K I -2.5079 Soluble
226 V I 0.0000 Buried
227 E I -2.5111 Soluble
228 P I -1.6273 Soluble
229 K I -2.1530 Soluble
230 S I -1.0703 Soluble
231 C I -0.7450 Soluble
1 D P -1.9450 Soluble
2 I P 0.0000 Buried
3 Q P -2.2623 Soluble
4 M P 0.0000 Buried
5 T P -1.3709 Soluble
6 Q P 0.0000 Buried
7 S P -0.7108 Soluble
8 P P -0.4999 Soluble
9 S P -0.8168 Soluble
10 S P -0.7577 Soluble
11 L P -0.5370 Soluble
12 S P -0.8526 Soluble
13 A P -1.0599 Soluble
14 S P -0.9770 Soluble
15 V P -0.1390 Soluble
16 G P -0.9423 Soluble
17 D P -2.0729 Soluble
18 R P -2.4633 Soluble
19 V P 0.0000 Buried
20 T P -0.6506 Soluble
21 I P 0.0000 Buried
22 T P -0.7929 Soluble
23 C P 0.0000 Buried
24 R P -2.6145 Soluble
25 S P 0.0000 Buried
26 S P -1.9649 Soluble
27 Q P -1.7976 Soluble
28 S P -0.6443 Soluble
29 L P 0.0000 Buried
30 V P 0.7247 Aggregation-prone
31 H P -0.6053 Soluble
32 N P -1.7006 Soluble
34 N P -1.7426 Soluble
35 A P -0.7764 Soluble
36 N P -0.6845 Soluble
37 T P -0.0969 Soluble
38 Y P 0.0000 Buried
39 L P 0.0000 Buried
40 H P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P -1.1827 Soluble
45 K P -1.6403 Soluble
46 P P -1.3810 Soluble
47 G P -1.7594 Soluble
48 K P -2.4858 Soluble
49 A P -1.5282 Soluble
50 P P 0.0000 Buried
51 K P -1.2064 Soluble
52 L P 0.0000 Buried
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P -0.4861 Soluble
56 K P -0.7272 Soluble
57 V P -0.5335 Soluble
65 S P -0.8557 Soluble
66 N P -1.3703 Soluble
67 R P -1.9839 Soluble
68 F P -1.0100 Soluble
69 S P -0.7339 Soluble
70 G P -0.7452 Soluble
71 V P -0.7964 Soluble
72 P P -0.5957 Soluble
74 S P -0.7480 Soluble
75 R P -0.9208 Soluble
76 F P 0.0000 Buried
77 S P -0.7341 Soluble
78 G P -0.6372 Soluble
79 S P -0.5757 Soluble
80 G P -0.8113 Soluble
83 S P -0.3664 Soluble
84 G P -0.5293 Soluble
85 T P -1.2381 Soluble
86 D P -1.8030 Soluble
87 F P 0.0000 Buried
88 T P -0.6363 Soluble
89 L P 0.0000 Buried
90 T P -0.5879 Soluble
91 I P 0.0000 Buried
92 S P -1.3770 Soluble
93 S P -1.3044 Soluble
94 L P 0.0000 Buried
95 Q P -1.1745 Soluble
96 P P -1.4840 Soluble
97 E P -1.7509 Soluble
98 D P 0.0000 Buried
99 F P 0.0000 Buried
100 A P 0.0000 Buried
101 T P -0.8589 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 S P 0.0000 Buried
106 Q P 0.0000 Buried
107 N P 0.2807 Aggregation-prone
108 T P 0.0000 Buried
109 L P 0.9696 Aggregation-prone
114 V P 1.2702 Aggregation-prone
115 P P 0.2905 Aggregation-prone
116 W P 0.0000 Buried
117 T P -0.4032 Soluble
118 F P -0.4305 Soluble
119 G P 0.0000 Buried
120 Q P -1.5478 Soluble
121 G P 0.0000 Buried
122 T P 0.0000 Buried
123 K P -1.5114 Soluble
124 V P 0.0000 Buried
125 E P -1.1133 Soluble
126 I P 0.0000 Buried
127 K P -1.4185 Soluble
128 R P -0.8549 Soluble
129 T P -0.1037 Soluble
130 V P 0.4540 Aggregation-prone
131 A P 0.1454 Aggregation-prone
132 A P -0.0874 Soluble
133 P P 0.0000 Buried
134 S P -0.1601 Soluble
135 V P 0.0000 Buried
136 F P -0.0022 Soluble
137 I P 0.0000 Buried
138 F P 0.0000 Buried
139 P P -0.7583 Soluble
140 P P 0.0000 Buried
141 S P -1.2178 Soluble
142 D P -2.1136 Soluble
143 E P -2.1559 Soluble
144 Q P 0.0000 Buried
145 L P -1.7465 Soluble
146 K P -2.4912 Soluble
147 S P -1.5869 Soluble
148 G P -1.5149 Soluble
149 T P -1.0544 Soluble
150 A P 0.0000 Buried
151 S P 0.0000 Buried
152 V P 0.0000 Buried
153 V P 0.0000 Buried
154 C P 0.0000 Buried
155 L P 0.0000 Buried
156 L P 0.0000 Buried
157 N P 0.0000 Buried
158 N P -0.8246 Soluble
159 F P 0.0000 Buried
160 Y P 0.0000 Buried
161 P P -1.2801 Soluble
162 R P -2.0671 Soluble
163 E P -2.7284 Soluble
164 A P -2.0557 Soluble
165 K P -2.4013 Soluble
166 V P -1.1637 Soluble
167 Q P -0.6567 Soluble
168 W P 0.0000 Buried
169 K P -0.6873 Soluble
170 V P 0.0000 Buried
171 D P -1.8869 Soluble
172 N P -1.3764 Soluble
173 A P -0.3659 Soluble
174 L P 0.4978 Aggregation-prone
175 Q P -0.4165 Soluble
176 S P -0.6838 Soluble
177 G P -1.2974 Soluble
178 N P -1.6568 Soluble
179 S P -1.5649 Soluble
180 Q P -1.6249 Soluble
181 E P -2.1796 Soluble
182 S P -1.0870 Soluble
183 V P -0.9392 Soluble
184 T P -1.0402 Soluble
185 E P -2.0590 Soluble
186 Q P 0.0000 Buried
187 D P -1.9247 Soluble
188 S P -2.0744 Soluble
189 K P -2.4933 Soluble
190 D P -1.7915 Soluble
191 S P 0.0000 Buried
192 T P 0.0000 Buried
193 Y P 0.0000 Buried
194 S P 0.0000 Buried
195 L P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 T P -0.7812 Soluble
199 L P 0.0000 Buried
200 T P -0.7225 Soluble
201 L P -0.8996 Soluble
202 S P -1.1190 Soluble
203 K P -1.9894 Soluble
204 A P -1.8747 Soluble
205 D P -2.8576 Soluble
206 Y P 0.0000 Buried
207 E P -2.8966 Soluble
208 K P -3.4538 Soluble
209 H P -2.9896 Soluble
210 K P -2.7493 Soluble
211 V P -1.3189 Soluble
212 Y P 0.0000 Buried
213 A P 0.0000 Buried
214 C P 0.0000 Buried
215 E P -0.7988 Soluble
216 V P 0.0000 Buried
217 T P -1.1964 Soluble
218 H P 0.0000 Buried
219 Q P -1.4279 Soluble
220 G P -0.3475 Soluble
221 L P -0.1959 Soluble
222 S P -0.4463 Soluble
223 S P -0.4375 Soluble
224 P P -0.5323 Soluble
225 V P 0.0038 Aggregation-prone
226 T P -0.4318 Soluble
227 K P -0.6354 Soluble
228 S P -0.7639 Soluble
229 F P 0.0000 Buried
230 N P -1.6660 Soluble
231 R P -2.1835 Soluble
232 G P -1.6304 Soluble
233 E P -1.9321 Soluble
234 C P -0.5218 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 -0.7156 2.2995 CSV PDB
4.5 -0.7536 2.2788 CSV PDB
5.0 -0.7971 2.2577 CSV PDB
5.5 -0.8375 2.2363 CSV PDB
6.0 -0.8646 2.215 CSV PDB
6.5 -0.8696 2.1938 CSV PDB
7.0 -0.8524 2.1731 CSV PDB
7.5 -0.821 2.154 CSV PDB
8.0 -0.782 2.1383 CSV PDB
8.5 -0.7373 2.1279 CSV PDB
9.0 -0.687 2.1217 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH