Quilizumab / 3hr5

A4DAB215_3hr5_B_A | Source PDB: 3hr5 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6626
Max Score
1.7875
Min Score
-3.3817
Total Score
-290.23
Score CDR
-0.1752
Score non-CDR
-0.724

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYGIAWVRQAPGKGLEWVAFISDLAYTIYYADTVTGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDNWDAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITRSSQSLVHNNANTYLHWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCSQNTLVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.3817
Maximum Score 1.7875
Average Score -0.6626
Total Score -290.2313

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

Index Residue Chain A4D Score Classification
1 E B -2.0900 Soluble
2 V B -1.1738 Soluble
3 Q B -1.2722 Soluble
4 L B 0.0000 Buried
5 V B 0.9833 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.2042 Soluble
8 G B -0.8144 Soluble
9 G B -0.4055 Soluble
11 G B -0.0289 Soluble
12 L B 0.0028 Aggregation-prone
13 V B 0.0000 Buried
14 Q B -1.6145 Soluble
15 P B -1.7427 Soluble
16 G B -1.4254 Soluble
17 G B 0.0000 Buried
18 S B -1.3086 Soluble
19 L B -1.1905 Soluble
20 R B -2.1537 Soluble
21 L B 0.0000 Buried
22 S B -0.3846 Soluble
23 C B 0.0000 Buried
24 A B -0.0883 Soluble
25 A B 0.0000 Buried
26 S B -0.9083 Soluble
27 G B -1.1525 Soluble
28 F B -0.6853 Soluble
29 T B -0.6461 Soluble
30 F B 0.0000 Buried
35 S B -1.1061 Soluble
36 D B -1.7303 Soluble
37 Y B -0.6796 Soluble
38 G B 0.0000 Buried
39 I B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.8657 Soluble
45 A B -1.2177 Soluble
46 P B -0.9211 Soluble
47 G B -1.4626 Soluble
48 K B -2.3679 Soluble
49 G B -1.6430 Soluble
50 L B 0.0000 Buried
51 E B -1.3583 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 F B 0.0000 Buried
56 I B 0.0000 Buried
57 S B 0.0000 Buried
58 D B -0.0554 Soluble
59 L B 1.0353 Aggregation-prone
62 A B 1.0985 Aggregation-prone
63 Y B 1.7875 Aggregation-prone
64 T B 1.2245 Aggregation-prone
65 I B 1.4131 Aggregation-prone
66 Y B 0.9668 Aggregation-prone
67 Y B 0.2626 Aggregation-prone
68 A B 0.0000 Buried
69 D B -2.0086 Soluble
70 T B -1.2826 Soluble
71 V B 0.0000 Buried
72 T B -0.8736 Soluble
74 G B -0.9733 Soluble
75 R B -0.9006 Soluble
76 F B 0.0000 Buried
77 T B -0.5340 Soluble
78 I B 0.0000 Buried
79 S B -0.1512 Soluble
80 R B -0.8140 Soluble
81 D B -1.4247 Soluble
82 N B -1.6972 Soluble
83 S B -1.5867 Soluble
84 K B -2.3432 Soluble
85 N B -1.6530 Soluble
86 T B 0.0000 Buried
87 L B 0.0000 Buried
88 Y B -0.6056 Soluble
89 L B 0.0000 Buried
90 Q B -1.4162 Soluble
91 M B 0.0000 Buried
92 N B -1.5498 Soluble
93 S B -1.2545 Soluble
94 L B 0.0000 Buried
95 R B -2.4353 Soluble
96 A B -1.7760 Soluble
97 E B -2.2865 Soluble
98 D B 0.0000 Buried
99 T B -0.7413 Soluble
100 A B 0.0000 Buried
101 V B 0.2129 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 D B 0.0000 Buried
108 N B -0.3833 Soluble
109 W B 0.1340 Aggregation-prone
113 D B -0.1648 Soluble
114 A B 0.0000 Buried
115 M B 0.0000 Buried
116 D B 0.0000 Buried
117 Y B -0.0889 Soluble
118 W B -0.3109 Soluble
119 G B 0.0000 Buried
120 Q B -1.2931 Soluble
121 G B 0.0000 Buried
122 T B 0.1061 Aggregation-prone
123 L B 0.2599 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -0.9900 Soluble
128 S B -0.7004 Soluble
129 A B -0.4284 Soluble
130 S B -0.5654 Soluble
131 T B -0.7144 Soluble
132 K B -1.1393 Soluble
133 G B -1.4045 Soluble
134 P B 0.0000 Buried
135 S B -0.3085 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.7524 Soluble
139 L B 0.0000 Buried
140 A B -1.0023 Soluble
141 P B 0.0000 Buried
142 S B -1.0531 Soluble
143 S B -1.1752 Soluble
144 K B -2.0731 Soluble
145 S B -1.1342 Soluble
146 T B -0.9642 Soluble
147 S B -0.8818 Soluble
148 G B -0.9470 Soluble
149 G B -0.8857 Soluble
150 T B -0.6036 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.2416 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.5084 Soluble
164 P B -0.7904 Soluble
165 V B -0.8484 Soluble
166 T B -0.7949 Soluble
167 V B -0.3029 Soluble
168 S B -0.4708 Soluble
169 W B 0.0000 Buried
170 N B -0.7579 Soluble
171 S B -0.6716 Soluble
172 G B -0.5930 Soluble
173 A B -0.2667 Soluble
174 L B -0.0255 Soluble
175 T B -0.1933 Soluble
176 S B -0.1829 Soluble
177 G B -0.2093 Soluble
178 V B 0.1357 Aggregation-prone
179 H B -0.2846 Soluble
180 T B 0.0284 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.2942 Soluble
183 A B 0.2306 Aggregation-prone
184 V B 0.5236 Aggregation-prone
185 L B 1.2232 Aggregation-prone
186 Q B 0.0000 Buried
187 S B -0.0240 Soluble
188 S B -0.1079 Soluble
189 G B 0.1944 Aggregation-prone
190 L B 0.2630 Aggregation-prone
191 Y B 0.4797 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1185 Soluble
199 V B 0.0000 Buried
200 P B -0.6015 Soluble
201 S B 0.0000 Buried
202 S B -0.6563 Soluble
203 S B 0.0000 Buried
204 L B -0.6661 Soluble
205 G B -0.8877 Soluble
206 T B -0.5977 Soluble
207 Q B -0.9283 Soluble
208 T B -0.9121 Soluble
209 Y B 0.0000 Buried
210 I B -1.0525 Soluble
211 C B 0.0000 Buried
212 N B -1.6165 Soluble
213 V B 0.0000 Buried
214 N B -2.5513 Soluble
215 H B 0.0000 Buried
216 K B -2.9012 Soluble
217 P B -1.6492 Soluble
218 S B -1.8835 Soluble
219 N B -2.6567 Soluble
220 T B -2.2471 Soluble
221 K B -2.9300 Soluble
222 V B -1.6765 Soluble
223 D B -2.5473 Soluble
224 K B -2.0094 Soluble
225 K B -2.2701 Soluble
226 V B 0.0000 Buried
227 E B -2.2412 Soluble
228 P B -1.7703 Soluble
229 K B -2.4058 Soluble
230 S B -1.2013 Soluble
231 C B -0.6981 Soluble
1 D A -2.1853 Soluble
2 I A 0.0000 Buried
3 Q A -2.2481 Soluble
4 M A 0.0000 Buried
5 T A -1.3528 Soluble
6 Q A 0.0000 Buried
7 S A -0.7373 Soluble
8 P A -0.5431 Soluble
9 S A -0.8485 Soluble
10 S A -0.8220 Soluble
11 L A -0.5564 Soluble
12 S A -0.7235 Soluble
13 A A -0.9600 Soluble
14 S A -0.8421 Soluble
15 V A 0.0691 Aggregation-prone
16 G A -0.6496 Soluble
17 D A -1.7850 Soluble
18 R A -2.2820 Soluble
19 V A 0.0000 Buried
20 T A -0.6475 Soluble
21 I A 0.0000 Buried
22 T A -0.7804 Soluble
24 R A -2.5849 Soluble
25 S A -1.8726 Soluble
26 S A -1.7848 Soluble
27 Q A -1.5677 Soluble
28 S A -0.6328 Soluble
29 L A 0.0000 Buried
30 V A 0.2905 Aggregation-prone
31 H A -0.8443 Soluble
32 N A -1.8508 Soluble
34 N A -1.9531 Soluble
35 A A -1.0196 Soluble
36 N A -1.0502 Soluble
37 T A -0.2989 Soluble
38 Y A 0.1330 Aggregation-prone
39 L A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.3002 Soluble
45 K A -1.8831 Soluble
46 P A -1.5007 Soluble
47 G A -1.8204 Soluble
48 K A -2.5785 Soluble
49 A A -1.6472 Soluble
50 P A 0.0000 Buried
51 K A -1.3332 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A -0.4891 Soluble
56 K A -0.6766 Soluble
57 V A -0.6429 Soluble
65 S A -0.9390 Soluble
66 N A -1.3551 Soluble
67 R A -1.8843 Soluble
68 F A -1.0009 Soluble
69 S A -0.7492 Soluble
70 G A -0.7972 Soluble
71 V A 0.0000 Buried
72 P A -0.6749 Soluble
74 S A -0.7916 Soluble
75 R A -0.9770 Soluble
76 F A 0.0000 Buried
77 S A -0.8312 Soluble
78 G A -0.7088 Soluble
79 S A -0.6872 Soluble
80 G A -0.9318 Soluble
83 S A -0.4331 Soluble
84 G A -0.5067 Soluble
85 T A -1.1861 Soluble
86 D A -1.6441 Soluble
87 F A 0.0000 Buried
88 T A -0.6599 Soluble
89 L A 0.0000 Buried
90 T A -0.6309 Soluble
91 I A 0.0000 Buried
92 S A -1.4435 Soluble
93 S A -1.1092 Soluble
94 L A 0.0000 Buried
95 Q A -0.8844 Soluble
96 P A -1.4055 Soluble
97 E A -1.7726 Soluble
98 D A 0.0000 Buried
99 F A -1.0812 Soluble
100 A A 0.0000 Buried
101 T A -0.8464 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 S A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A 0.3188 Aggregation-prone
108 T A 0.1040 Aggregation-prone
109 L A 0.8704 Aggregation-prone
114 V A 1.3430 Aggregation-prone
115 P A 0.2890 Aggregation-prone
116 W A 0.0000 Buried
117 T A -0.4596 Soluble
118 F A -0.4888 Soluble
119 G A 0.0000 Buried
120 Q A -1.5684 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -1.4407 Soluble
124 V A 0.0000 Buried
125 E A -1.2830 Soluble
126 I A 0.0000 Buried
127 K A -1.5877 Soluble
128 R A -1.0959 Soluble
129 T A -0.1840 Soluble
130 V A 0.5728 Aggregation-prone
131 A A 0.1614 Aggregation-prone
132 A A -0.0951 Soluble
133 P A 0.0000 Buried
134 S A -0.1326 Soluble
135 V A 0.0000 Buried
136 F A 0.0367 Aggregation-prone
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.7266 Soluble
140 P A 0.0000 Buried
141 S A -1.4391 Soluble
142 D A -2.2253 Soluble
143 E A -2.0120 Soluble
144 Q A 0.0000 Buried
145 L A 0.0000 Buried
146 K A -2.5451 Soluble
147 S A -1.6219 Soluble
148 G A -1.2872 Soluble
149 T A -1.0171 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.9172 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.8081 Soluble
162 R A -3.0058 Soluble
163 E A -3.1491 Soluble
164 A A -2.3533 Soluble
165 K A -2.4617 Soluble
166 V A -1.3051 Soluble
167 Q A -0.7039 Soluble
168 W A 0.0000 Buried
169 K A -0.6120 Soluble
170 V A 0.0000 Buried
171 D A -1.9525 Soluble
172 N A -1.3693 Soluble
173 A A -0.3562 Soluble
174 L A 0.4878 Aggregation-prone
175 Q A -0.2435 Soluble
176 S A -0.5270 Soluble
177 G A -0.9461 Soluble
178 N A -0.9360 Soluble
179 S A -1.0830 Soluble
180 Q A -1.2833 Soluble
181 E A -1.6864 Soluble
182 S A -0.8813 Soluble
183 V A -0.7090 Soluble
184 T A -1.0173 Soluble
185 E A -1.9974 Soluble
186 Q A 0.0000 Buried
187 D A -2.0430 Soluble
188 S A -2.0142 Soluble
189 K A -2.4218 Soluble
190 D A -1.7393 Soluble
191 S A -1.9123 Soluble
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.5980 Soluble
199 L A 0.0000 Buried
200 T A -0.4262 Soluble
201 L A -0.5950 Soluble
202 S A -1.0016 Soluble
203 K A -1.9717 Soluble
204 A A -1.6780 Soluble
205 D A -2.2784 Soluble
206 Y A 0.0000 Buried
207 E A -3.0680 Soluble
208 K A -3.3817 Soluble
209 H A -2.9653 Soluble
210 K A -3.0395 Soluble
211 V A -1.5466 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9400 Soluble
216 V A 0.0000 Buried
217 T A -1.2629 Soluble
218 H A 0.0000 Buried
219 Q A -1.7072 Soluble
220 G A -0.3661 Soluble
221 L A -0.2307 Soluble
222 S A -0.4641 Soluble
223 S A -0.4399 Soluble
224 P A -0.6309 Soluble
225 V A -0.0949 Soluble
226 T A -0.5100 Soluble
227 K A -0.7210 Soluble
228 S A -0.6938 Soluble
229 F A -1.2453 Soluble
230 N A -2.3773 Soluble
231 R A -2.5800 Soluble
232 G A -2.0138 Soluble
233 E A -2.1553 Soluble
234 C A -0.4042 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7433 2.3004 CSV PDB
4.5 -0.7818 2.2811 CSV PDB
5.0 -0.8258 2.2611 CSV PDB
5.5 -0.8668 2.2407 CSV PDB
6.0 -0.8944 2.2202 CSV PDB
6.5 -0.8999 2.1998 CSV PDB
7.0 -0.8828 2.1797 CSV PDB
7.5 -0.851 2.1605 CSV PDB
8.0 -0.8112 2.1434 CSV PDB
8.5 -0.7654 2.1305 CSV PDB
9.0 -0.7136 2.1219 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH