Quilizumab / 3hr5

A4DAB215_3hr5_J_Q | Source PDB: 3hr5 | Chains: J, Q | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6696
Max Score
1.8631
Min Score
-3.8154
Total Score
-293.28
Score CDR
-0.1562
Score non-CDR
-0.7343

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYGIAWVRQAPGKGLEWVAFISDLAYTIYYADTVTGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDNWDAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITRSSQSLVHNNANTYLHWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCSQNTLVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) J (Heavy), Q (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 -3.8154
Maximum Score 1.8631
Average Score -0.6696
Total Score -293.2811

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

Index Residue Chain A4D Score Classification
1 E J -2.0776 Soluble
2 V J -1.1179 Soluble
3 Q J -1.3003 Soluble
4 L J 0.0000 Buried
5 V J 0.6316 Aggregation-prone
6 E J 0.0000 Buried
7 S J -0.2698 Soluble
8 G J -0.8242 Soluble
9 G J -0.4628 Soluble
11 G J -0.2529 Soluble
12 L J -0.1089 Soluble
13 V J 0.0000 Buried
14 Q J -1.6718 Soluble
15 P J -1.7508 Soluble
16 G J -1.4880 Soluble
17 G J -1.1717 Soluble
18 S J -1.2745 Soluble
19 L J -1.0546 Soluble
20 R J -2.0448 Soluble
21 L J 0.0000 Buried
22 S J -0.4057 Soluble
23 C J 0.0000 Buried
24 A J -0.1282 Soluble
25 A J 0.0000 Buried
26 S J -0.7758 Soluble
27 G J -1.1278 Soluble
28 F J -0.6635 Soluble
29 T J -0.6760 Soluble
30 F J 0.0000 Buried
35 S J -1.1519 Soluble
36 D J -1.7341 Soluble
37 Y J -0.6719 Soluble
38 G J 0.0000 Buried
39 I J 0.0000 Buried
40 A J 0.0000 Buried
41 W J 0.0000 Buried
42 V J 0.0000 Buried
43 R J 0.0000 Buried
44 Q J -0.8973 Soluble
45 A J -1.2110 Soluble
46 P J -0.9964 Soluble
47 G J -1.4785 Soluble
48 K J -2.4203 Soluble
49 G J -1.7184 Soluble
50 L J 0.0000 Buried
51 E J -1.2602 Soluble
52 W J 0.0000 Buried
53 V J 0.0000 Buried
54 A J 0.0000 Buried
55 F J 0.0000 Buried
56 I J 0.0000 Buried
57 S J 0.0000 Buried
58 D J -0.0829 Soluble
59 L J 1.2591 Aggregation-prone
62 A J 1.2323 Aggregation-prone
63 Y J 1.8631 Aggregation-prone
64 T J 1.3004 Aggregation-prone
65 I J 1.5255 Aggregation-prone
66 Y J 0.9542 Aggregation-prone
67 Y J 0.2576 Aggregation-prone
68 A J 0.0000 Buried
69 D J -1.7778 Soluble
70 T J -1.2420 Soluble
71 V J 0.0000 Buried
72 T J -0.8338 Soluble
74 G J -0.9403 Soluble
75 R J -0.8042 Soluble
76 F J 0.0000 Buried
77 T J -0.4374 Soluble
78 I J 0.0000 Buried
79 S J -0.2417 Soluble
80 R J -0.8289 Soluble
81 D J -1.4705 Soluble
82 N J -1.6445 Soluble
83 S J -1.5925 Soluble
84 K J -2.3468 Soluble
85 N J -1.6682 Soluble
86 T J -1.0069 Soluble
87 L J 0.0000 Buried
88 Y J -0.5507 Soluble
89 L J 0.0000 Buried
90 Q J -1.2434 Soluble
91 M J 0.0000 Buried
92 N J -1.5794 Soluble
93 S J -1.3671 Soluble
94 L J 0.0000 Buried
95 R J -2.5065 Soluble
96 A J -1.7839 Soluble
97 E J -2.2981 Soluble
98 D J 0.0000 Buried
99 T J -0.7043 Soluble
100 A J 0.0000 Buried
101 V J 0.0678 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 R J 0.0000 Buried
107 D J 0.0000 Buried
108 N J -0.3936 Soluble
109 W J 0.1054 Aggregation-prone
113 D J -0.2407 Soluble
114 A J 0.0000 Buried
115 M J 0.0000 Buried
116 D J 0.0000 Buried
117 Y J -0.0596 Soluble
118 W J -0.3310 Soluble
119 G J 0.0000 Buried
120 Q J -1.4290 Soluble
121 G J 0.0000 Buried
122 T J -0.0003 Soluble
123 L J 0.1475 Aggregation-prone
124 V J 0.0000 Buried
125 T J -0.4582 Soluble
126 V J 0.0000 Buried
127 S J -0.7616 Soluble
128 S J -0.6671 Soluble
129 A J -0.4793 Soluble
130 S J -0.6288 Soluble
131 T J -0.7269 Soluble
132 K J -1.4412 Soluble
133 G J -1.4671 Soluble
134 P J 0.0000 Buried
135 S J -0.3140 Soluble
136 V J 0.0000 Buried
137 F J 0.0000 Buried
138 P J 0.0000 Buried
139 L J 0.0000 Buried
140 A J -1.1062 Soluble
141 P J 0.0000 Buried
142 S J -0.8085 Soluble
143 S J -1.2183 Soluble
144 K J -1.7918 Soluble
145 S J -1.1265 Soluble
146 T J -0.7748 Soluble
147 S J -0.6932 Soluble
148 G J -0.9518 Soluble
149 G J -0.8906 Soluble
150 T J -0.5837 Soluble
151 A J 0.0000 Buried
152 A J 0.0000 Buried
153 L J 0.0000 Buried
154 G J 0.0000 Buried
155 C J 0.0000 Buried
156 L J 0.0000 Buried
157 V J 0.0000 Buried
158 K J 0.0000 Buried
159 D J -0.6071 Soluble
160 Y J 0.0000 Buried
161 F J 0.0000 Buried
162 P J 0.0000 Buried
163 E J -0.6945 Soluble
164 P J -0.6615 Soluble
165 V J -0.6315 Soluble
166 T J -0.5214 Soluble
167 V J -0.2968 Soluble
168 S J -0.4016 Soluble
169 W J 0.0000 Buried
170 N J -0.9338 Soluble
171 S J -0.7606 Soluble
172 G J -0.6124 Soluble
173 A J -0.2883 Soluble
174 L J -0.0715 Soluble
175 T J -0.1760 Soluble
176 S J -0.1589 Soluble
177 G J -0.1618 Soluble
178 V J 0.1999 Aggregation-prone
179 H J -0.2765 Soluble
180 T J -0.1128 Soluble
181 F J 0.0000 Buried
182 P J -0.3440 Soluble
183 A J 0.1656 Aggregation-prone
184 V J 0.2515 Aggregation-prone
185 L J 0.9661 Aggregation-prone
186 Q J 0.0775 Aggregation-prone
187 S J -0.1307 Soluble
188 S J -0.2843 Soluble
189 G J -0.0759 Soluble
190 L J -0.0566 Soluble
191 Y J 0.2088 Aggregation-prone
192 S J 0.0000 Buried
193 L J 0.0000 Buried
194 S J 0.0000 Buried
195 S J 0.0000 Buried
196 V J 0.0000 Buried
197 V J 0.0000 Buried
198 T J -0.1009 Soluble
199 V J 0.0000 Buried
200 P J -0.5171 Soluble
201 S J -0.6524 Soluble
202 S J -0.6802 Soluble
203 S J -0.6243 Soluble
204 L J -0.8311 Soluble
205 G J -1.1609 Soluble
206 T J -0.8615 Soluble
207 Q J -1.5400 Soluble
208 T J -1.3563 Soluble
209 Y J 0.0000 Buried
210 I J -1.4951 Soluble
211 C J 0.0000 Buried
212 N J -1.4666 Soluble
213 V J 0.0000 Buried
214 N J -1.7192 Soluble
215 H J 0.0000 Buried
216 K J -2.7042 Soluble
217 P J -1.6121 Soluble
218 S J -1.8596 Soluble
219 N J -2.5183 Soluble
220 T J -2.0044 Soluble
221 K J -2.5863 Soluble
222 V J -1.6019 Soluble
223 D J -2.5211 Soluble
224 K J -2.2401 Soluble
225 K J -2.5870 Soluble
226 V J 0.0000 Buried
227 E J -2.7303 Soluble
228 P J -1.7500 Soluble
229 K J -2.2986 Soluble
230 S J -1.0696 Soluble
231 C J -0.7239 Soluble
1 D Q -1.9257 Soluble
2 I Q 0.0000 Buried
3 Q Q -2.2174 Soluble
4 M Q 0.0000 Buried
5 T Q -1.4049 Soluble
6 Q Q 0.0000 Buried
7 S Q -0.7531 Soluble
8 P Q -0.7290 Soluble
9 S Q -1.0745 Soluble
10 S Q -1.0678 Soluble
11 L Q -0.6772 Soluble
12 S Q -0.8203 Soluble
13 A Q -0.9296 Soluble
14 S Q -0.8734 Soluble
15 V Q -0.1417 Soluble
16 G Q -0.8705 Soluble
17 D Q -1.8901 Soluble
18 R Q -2.3270 Soluble
19 V Q 0.0000 Buried
20 T Q -0.6225 Soluble
21 I Q 0.0000 Buried
22 T Q -0.7653 Soluble
24 R Q -2.5609 Soluble
25 S Q 0.0000 Buried
26 S Q -1.8055 Soluble
27 Q Q -1.5166 Soluble
28 S Q -0.4415 Soluble
29 L Q 0.0000 Buried
30 V Q 0.5449 Aggregation-prone
31 H Q -0.6238 Soluble
32 N Q -1.6705 Soluble
34 N Q -1.6532 Soluble
35 A Q -0.8663 Soluble
36 N Q -1.0212 Soluble
37 T Q -0.3245 Soluble
38 Y Q 0.0000 Buried
39 L Q 0.0000 Buried
40 H Q 0.0000 Buried
41 W Q 0.0000 Buried
42 Y Q 0.0000 Buried
43 Q Q 0.0000 Buried
44 Q Q 0.0000 Buried
45 K Q -1.7880 Soluble
46 P Q -1.4017 Soluble
47 G Q -1.7910 Soluble
48 K Q -2.5335 Soluble
49 A Q -1.6127 Soluble
50 P Q 0.0000 Buried
51 K Q -1.3217 Soluble
52 L Q 0.0000 Buried
53 L Q 0.0000 Buried
54 I Q 0.0000 Buried
55 Y Q -0.5312 Soluble
56 K Q -0.9356 Soluble
57 V Q -0.6680 Soluble
65 S Q -0.9838 Soluble
66 N Q -1.4814 Soluble
67 R Q -2.0133 Soluble
68 F Q -1.0192 Soluble
69 S Q -0.7811 Soluble
70 G Q -0.8109 Soluble
71 V Q 0.0000 Buried
72 P Q -0.6983 Soluble
74 S Q -0.7974 Soluble
75 R Q -0.9471 Soluble
76 F Q 0.0000 Buried
77 S Q -0.8253 Soluble
78 G Q 0.0000 Buried
79 S Q -0.5935 Soluble
80 G Q -0.8189 Soluble
83 S Q -0.3638 Soluble
84 G Q -0.5179 Soluble
85 T Q -1.1863 Soluble
86 D Q -1.7387 Soluble
87 F Q 0.0000 Buried
88 T Q -0.6204 Soluble
89 L Q 0.0000 Buried
90 T Q -0.5793 Soluble
91 I Q 0.0000 Buried
92 S Q -1.3013 Soluble
93 S Q -1.1971 Soluble
94 L Q 0.0000 Buried
95 Q Q -0.9467 Soluble
96 P Q -1.5944 Soluble
97 E Q -1.9763 Soluble
98 D Q 0.0000 Buried
99 F Q -1.3102 Soluble
100 A Q 0.0000 Buried
101 T Q -1.0701 Soluble
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 S Q 0.0000 Buried
106 Q Q 0.0000 Buried
107 N Q 0.2400 Aggregation-prone
108 T Q 0.2540 Aggregation-prone
109 L Q 0.8154 Aggregation-prone
114 V Q 1.0542 Aggregation-prone
115 P Q 0.1618 Aggregation-prone
116 W Q 0.0000 Buried
117 T Q -0.5049 Soluble
118 F Q -0.5448 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.9493 Soluble
121 G Q 0.0000 Buried
122 T Q 0.0000 Buried
123 K Q -2.0134 Soluble
124 V Q 0.0000 Buried
125 E Q -1.1515 Soluble
126 I Q 0.0000 Buried
127 K Q -1.2051 Soluble
128 R Q -0.6497 Soluble
129 T Q 0.2455 Aggregation-prone
130 V Q 1.0523 Aggregation-prone
131 A Q 0.4550 Aggregation-prone
132 A Q 0.0289 Aggregation-prone
133 P Q 0.0000 Buried
134 S Q -0.1400 Soluble
135 V Q 0.0000 Buried
136 F Q 0.0097 Aggregation-prone
137 I Q 0.0000 Buried
138 F Q 0.0000 Buried
139 P Q -0.8388 Soluble
140 P Q -0.8059 Soluble
141 S Q -1.5490 Soluble
142 D Q -2.5078 Soluble
143 E Q -2.0053 Soluble
144 Q Q 0.0000 Buried
145 L Q -1.9132 Soluble
146 K Q -2.4841 Soluble
147 S Q -1.5397 Soluble
148 G Q -1.2923 Soluble
149 T Q -1.0929 Soluble
150 A Q 0.0000 Buried
151 S Q 0.0000 Buried
152 V Q 0.0000 Buried
153 V Q 0.0000 Buried
154 C Q 0.0000 Buried
155 L Q 0.0000 Buried
156 L Q 0.0000 Buried
157 N Q 0.0000 Buried
158 N Q -0.8853 Soluble
159 F Q 0.0000 Buried
160 Y Q 0.0000 Buried
161 P Q -1.4199 Soluble
162 R Q -2.4814 Soluble
163 E Q -3.0252 Soluble
164 A Q -2.2404 Soluble
165 K Q -2.1622 Soluble
166 V Q -1.2123 Soluble
167 Q Q -0.8421 Soluble
168 W Q 0.0000 Buried
169 K Q -0.6910 Soluble
170 V Q 0.0000 Buried
171 D Q -1.8094 Soluble
172 N Q -1.3828 Soluble
173 A Q -0.2993 Soluble
174 L Q 0.6766 Aggregation-prone
175 Q Q -0.1868 Soluble
176 S Q -0.4533 Soluble
177 G Q -1.0232 Soluble
178 N Q -1.0211 Soluble
179 S Q -1.3576 Soluble
180 Q Q -1.7158 Soluble
181 E Q -2.0114 Soluble
182 S Q -0.9765 Soluble
183 V Q -0.7598 Soluble
184 T Q -1.0303 Soluble
185 E Q -2.1927 Soluble
186 Q Q 0.0000 Buried
187 D Q -2.1583 Soluble
188 S Q -2.3184 Soluble
189 K Q -2.6495 Soluble
190 D Q -1.9531 Soluble
191 S Q 0.0000 Buried
192 T Q 0.0000 Buried
193 Y Q 0.0000 Buried
194 S Q 0.0000 Buried
195 L Q 0.0000 Buried
196 S Q 0.0000 Buried
197 S Q 0.0000 Buried
198 T Q -0.8114 Soluble
199 L Q 0.0000 Buried
200 T Q -0.3770 Soluble
201 L Q -0.7195 Soluble
202 S Q -1.1295 Soluble
203 K Q -2.3126 Soluble
204 A Q -2.0118 Soluble
205 D Q -2.7899 Soluble
206 Y Q 0.0000 Buried
207 E Q -3.8154 Soluble
208 K Q -3.7528 Soluble
209 H Q -3.2276 Soluble
210 K Q -2.9228 Soluble
211 V Q -1.3016 Soluble
212 Y Q 0.0000 Buried
213 A Q 0.0000 Buried
214 C Q 0.0000 Buried
215 E Q -0.9271 Soluble
216 V Q 0.0000 Buried
217 T Q -1.2385 Soluble
218 H Q 0.0000 Buried
219 Q Q -1.3731 Soluble
220 G Q -0.2231 Soluble
221 L Q -0.1645 Soluble
222 S Q -0.4565 Soluble
223 S Q -0.4207 Soluble
224 P Q -0.5154 Soluble
225 V Q 0.0004 Aggregation-prone
226 T Q -0.4980 Soluble
227 K Q -0.8504 Soluble
228 S Q -0.8385 Soluble
229 F Q 0.0000 Buried
230 N Q -1.5827 Soluble
231 R Q -2.3479 Soluble
232 G Q -1.7765 Soluble
233 E Q -1.9956 Soluble
234 C Q -0.3217 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
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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 -0.7344 2.381 CSV PDB
4.5 -0.7774 2.3507 CSV PDB
5.0 -0.827 2.3198 CSV PDB
5.5 -0.8738 2.2887 CSV PDB
6.0 -0.9072 2.2576 CSV PDB
6.5 -0.9174 2.2268 CSV PDB
7.0 -0.9039 2.197 CSV PDB
7.5 -0.8743 2.1697 CSV PDB
8.0 -0.8357 2.1481 CSV PDB
8.5 -0.7901 2.1341 CSV PDB
9.0 -0.7378 2.1241 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH