Satumomab / 1bbj

A4DAB236_1bbj_B_A | Source PDB: 1bbj | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.8242
Max Score
1.4904
Min Score
-4.0281
Total Score
-347.82
Score CDR
-0.6587
Score non-CDR
-0.842

Calculation Parameters

Chain Sequence(s) VQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVDIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -4.0281
Maximum Score 1.4904
Average Score -0.8242
Total Score -347.8229

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

Index Residue Chain A4D Score Classification
2 V B 0.0291 Aggregation-prone
3 Q B -1.5240 Soluble
4 L B 0.0000 Buried
5 Q B -2.0297 Soluble
6 Q B -1.7339 Soluble
7 S B -1.9027 Soluble
8 D B -2.7121 Soluble
9 A B -1.7947 Soluble
11 E B -2.1421 Soluble
12 L B -0.7616 Soluble
13 V B -1.0662 Soluble
14 K B -2.0296 Soluble
15 P B -1.3452 Soluble
16 G B -1.1493 Soluble
17 A B -0.9572 Soluble
18 S B -1.2013 Soluble
19 V B 0.0000 Buried
20 K B -2.0267 Soluble
21 I B 0.0000 Buried
22 S B 0.0000 Buried
23 C B 0.0000 Buried
24 K B -1.7310 Soluble
25 A B 0.0000 Buried
26 S B -0.8077 Soluble
27 G B -0.3071 Soluble
28 Y B -0.2397 Soluble
29 T B -0.6062 Soluble
30 F B 0.0000 Buried
35 T B -1.9809 Soluble
36 D B -2.2193 Soluble
37 H B -1.3088 Soluble
38 A B -0.9500 Soluble
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 A B 0.0000 Buried
43 K B -0.8888 Soluble
44 Q B -1.5627 Soluble
45 K B -2.4399 Soluble
46 P B -2.0407 Soluble
47 E B -3.0014 Soluble
48 Q B -2.8396 Soluble
49 G B -1.8596 Soluble
50 L B 0.0000 Buried
51 E B -1.5589 Soluble
52 W B 0.0000 Buried
53 I B 0.0000 Buried
54 G B 0.0000 Buried
55 Y B -0.0781 Soluble
56 I B 0.0000 Buried
57 S B -1.8430 Soluble
58 P B 0.0000 Buried
59 G B -2.4930 Soluble
62 N B -2.7870 Soluble
63 D B -3.0346 Soluble
64 D B -2.3452 Soluble
65 I B -0.8958 Soluble
66 K B -1.2674 Soluble
67 Y B -1.5099 Soluble
68 N B 0.0000 Buried
69 E B -3.5370 Soluble
70 K B -3.2212 Soluble
71 F B 0.0000 Buried
72 K B -3.1634 Soluble
74 G B -2.1129 Soluble
75 K B -1.6232 Soluble
76 A B 0.0000 Buried
77 T B -0.8871 Soluble
78 L B 0.0000 Buried
79 T B -0.5033 Soluble
80 A B -1.2615 Soluble
81 D B -1.8555 Soluble
82 K B -2.4844 Soluble
83 S B -1.3932 Soluble
84 S B -1.1972 Soluble
85 S B -1.3181 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5921 Soluble
89 M B 0.0000 Buried
90 Q B -1.3633 Soluble
91 L B 0.0000 Buried
92 N B -1.0860 Soluble
93 S B -0.9874 Soluble
94 L B 0.0000 Buried
95 T B -1.2849 Soluble
96 S B -1.4373 Soluble
97 E B -2.0990 Soluble
98 D B 0.0000 Buried
99 S B -1.0061 Soluble
100 A B 0.0000 Buried
101 V B -0.4196 Soluble
102 Y B 0.0000 Buried
103 F B 0.0000 Buried
104 C B 0.0000 Buried
105 K B 0.0000 Buried
106 R B -0.7348 Soluble
107 S B -0.2405 Soluble
108 Y B 0.7218 Aggregation-prone
115 Y B 0.3698 Aggregation-prone
116 G B 0.0000 Buried
117 H B -1.2824 Soluble
118 W B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -2.2139 Soluble
121 G B -1.3412 Soluble
122 T B 0.0000 Buried
123 T B -0.9156 Soluble
124 L B 0.0000 Buried
125 T B -0.7477 Soluble
126 V B 0.0000 Buried
127 S B -0.7619 Soluble
128 S B -0.8360 Soluble
129 A B -0.4828 Soluble
130 S B -0.5547 Soluble
131 T B -0.5442 Soluble
132 K B -0.9253 Soluble
133 G B -1.2787 Soluble
134 P B -0.5304 Soluble
135 S B -0.3985 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.7003 Soluble
139 L B 0.0000 Buried
140 A B 0.2997 Aggregation-prone
141 P B -0.2198 Soluble
142 C B -0.0194 Soluble
143 S B -0.8441 Soluble
144 R B -2.0654 Soluble
145 S B -1.8046 Soluble
146 T B -1.3231 Soluble
147 S B -1.4288 Soluble
148 E B -2.3339 Soluble
149 S B -1.6152 Soluble
150 T B -1.0842 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 -0.2228 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.5269 Soluble
164 P B -0.8391 Soluble
165 V B -0.6029 Soluble
166 T B -0.5486 Soluble
167 V B -0.1990 Soluble
168 S B -0.5013 Soluble
169 W B 0.0000 Buried
170 N B -1.1235 Soluble
171 S B -0.8221 Soluble
172 G B -0.5824 Soluble
173 A B -0.2686 Soluble
174 L B -0.0840 Soluble
175 T B -0.1228 Soluble
176 S B -0.1497 Soluble
177 G B -0.0698 Soluble
178 V B 0.2935 Aggregation-prone
179 H B -0.1502 Soluble
180 T B -0.0082 Soluble
181 F B 0.0000 Buried
182 P B -0.2601 Soluble
183 A B 0.2854 Aggregation-prone
184 V B 0.6523 Aggregation-prone
185 L B 1.4904 Aggregation-prone
186 Q B 0.5076 Aggregation-prone
187 S B -0.0410 Soluble
188 S B -0.1368 Soluble
189 G B 0.1653 Aggregation-prone
190 L B 0.2830 Aggregation-prone
191 Y B 0.5860 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 -0.0878 Soluble
199 V B 0.0000 Buried
200 P B -0.4595 Soluble
201 S B -0.6696 Soluble
202 S B -0.0044 Soluble
203 S B 0.0823 Aggregation-prone
204 L B 0.7351 Aggregation-prone
205 G B -0.1352 Soluble
206 T B -0.4309 Soluble
207 K B -0.9976 Soluble
208 T B -0.7016 Soluble
209 Y B 0.0000 Buried
210 T B 0.0000 Buried
211 C B 0.0000 Buried
212 N B -1.7469 Soluble
213 V B 0.0000 Buried
214 D B -1.7935 Soluble
215 H B 0.0000 Buried
216 K B -2.9975 Soluble
217 P B -1.9648 Soluble
218 S B -1.6770 Soluble
219 N B -2.3858 Soluble
220 T B -1.9421 Soluble
221 K B -2.6569 Soluble
222 V B -1.7521 Soluble
223 D B -2.6926 Soluble
224 K B -2.0141 Soluble
225 R B -1.9723 Soluble
226 V B -0.0229 Soluble
1 D A -2.4361 Soluble
2 I A -1.6916 Soluble
3 Q A -2.2106 Soluble
4 M A 0.0000 Buried
5 T A -1.3590 Soluble
6 Q A -1.0815 Soluble
7 S A -0.5962 Soluble
8 P A -0.4628 Soluble
9 A A -0.6086 Soluble
10 S A -0.7890 Soluble
11 L A -0.5846 Soluble
12 S A -0.7564 Soluble
13 V A -0.7241 Soluble
14 S A -1.0000 Soluble
15 V A -0.8872 Soluble
16 G A -1.2246 Soluble
17 E A -1.9447 Soluble
18 T A -1.6567 Soluble
19 V A 0.0000 Buried
20 T A -0.6864 Soluble
21 I A 0.0000 Buried
22 T A -1.0131 Soluble
23 C A 0.0000 Buried
24 R A -2.9736 Soluble
25 A A 0.0000 Buried
26 S A -2.1696 Soluble
27 E A -2.3499 Soluble
28 N A -1.2092 Soluble
29 I A 0.0000 Buried
36 Y A 0.8354 Aggregation-prone
37 S A 0.1379 Aggregation-prone
38 N A 0.2243 Aggregation-prone
39 L A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A -0.8929 Soluble
44 Q A 0.0000 Buried
45 K A -2.0240 Soluble
46 Q A -2.2627 Soluble
47 G A -1.8980 Soluble
48 K A -2.2578 Soluble
49 S A -1.7542 Soluble
50 P A 0.0000 Buried
51 Q A -1.5060 Soluble
52 L A -0.5513 Soluble
53 L A 0.0000 Buried
54 V A 0.0000 Buried
55 Y A 0.4736 Aggregation-prone
56 A A 0.2968 Aggregation-prone
57 A A 0.0000 Buried
65 T A -0.2872 Soluble
66 N A -0.3596 Soluble
67 L A 0.0193 Aggregation-prone
68 A A 0.0000 Buried
69 D A -1.7558 Soluble
70 G A -1.2415 Soluble
71 V A -0.6379 Soluble
72 P A -0.5057 Soluble
74 S A -0.5771 Soluble
75 R A -1.2661 Soluble
76 F A 0.0000 Buried
77 S A -0.8865 Soluble
78 G A 0.0000 Buried
79 S A -0.8640 Soluble
80 G A -0.9885 Soluble
83 S A -0.8784 Soluble
84 G A -0.9929 Soluble
85 T A -1.7849 Soluble
86 Q A -2.4208 Soluble
87 Y A 0.0000 Buried
88 S A 0.0000 Buried
89 L A 0.0000 Buried
90 K A -1.6167 Soluble
91 I A 0.0000 Buried
92 N A -2.2797 Soluble
93 S A -1.6290 Soluble
94 L A 0.0000 Buried
95 Q A -1.7092 Soluble
96 S A -2.1564 Soluble
97 E A -2.3469 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 G A 0.0000 Buried
101 S A -1.1952 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 H A 0.0000 Buried
107 F A 0.0000 Buried
108 W A 0.5971 Aggregation-prone
109 G A -0.1674 Soluble
114 T A -0.7002 Soluble
115 P A -1.3614 Soluble
116 Y A 0.0000 Buried
117 T A -0.8472 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 G A -1.0380 Soluble
121 G A -1.0234 Soluble
122 T A 0.0000 Buried
123 R A -1.8602 Soluble
124 L A 0.0000 Buried
125 E A -1.2861 Soluble
126 I A 0.0000 Buried
127 K A -1.9275 Soluble
128 R A -1.8189 Soluble
129 A A -1.4886 Soluble
130 D A -2.5543 Soluble
131 A A -1.3205 Soluble
132 A A -0.8340 Soluble
133 P A 0.0000 Buried
134 T A -0.3527 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.6003 Soluble
140 P A 0.0000 Buried
141 S A -1.6743 Soluble
142 D A -3.1144 Soluble
143 E A -3.2878 Soluble
144 Q A 0.0000 Buried
145 L A -2.5706 Soluble
146 K A -3.0671 Soluble
147 S A -1.9583 Soluble
148 G A -1.4641 Soluble
149 T A -1.1674 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 -1.0606 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -2.4123 Soluble
162 R A -2.8911 Soluble
163 E A -3.1257 Soluble
164 A A -2.3129 Soluble
165 K A -2.6576 Soluble
166 V A -1.3462 Soluble
167 Q A -0.9009 Soluble
168 W A 0.0000 Buried
169 K A -0.7265 Soluble
170 V A 0.0000 Buried
171 D A -1.6312 Soluble
172 N A -1.1877 Soluble
173 A A -0.1939 Soluble
174 L A 0.6326 Aggregation-prone
175 Q A -0.2269 Soluble
176 S A -0.3555 Soluble
177 G A -0.6810 Soluble
178 N A -0.7859 Soluble
179 S A -0.9119 Soluble
180 Q A -0.8671 Soluble
181 E A -1.5669 Soluble
182 S A -0.6168 Soluble
183 V A -0.6548 Soluble
184 T A -0.6495 Soluble
185 E A -1.0597 Soluble
186 Q A 0.0000 Buried
187 D A -2.3308 Soluble
188 S A -2.4414 Soluble
189 K A -3.0820 Soluble
190 D A -2.6976 Soluble
191 S A 0.0000 Buried
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 0.0000 Buried
199 L A 0.0000 Buried
200 T A -0.3742 Soluble
201 L A -0.8008 Soluble
202 S A -1.4103 Soluble
203 K A -2.4580 Soluble
204 A A -2.1331 Soluble
205 D A -2.5937 Soluble
206 Y A 0.0000 Buried
207 E A -4.0281 Soluble
208 K A -3.8976 Soluble
209 H A -3.4412 Soluble
210 K A -3.6870 Soluble
211 V A -1.7968 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -1.2327 Soluble
216 V A 0.0000 Buried
217 T A -1.2892 Soluble
218 H A 0.0000 Buried
219 Q A -2.1872 Soluble
220 G A -1.5337 Soluble
221 L A -0.7327 Soluble
222 S A -0.5469 Soluble
223 S A -0.4597 Soluble
224 P A -0.6069 Soluble
225 V A 0.0483 Aggregation-prone
226 T A -0.5038 Soluble
227 K A -0.4932 Soluble
228 S A -0.7345 Soluble
229 F A 0.0000 Buried
230 N A -2.6548 Soluble
231 R A -3.7933 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 -0.877 1.8404 CSV PDB
4.5 -0.9317 1.8404 CSV PDB
5.0 -0.9947 1.8404 CSV PDB
5.5 -1.054 1.8404 CSV PDB
6.0 -1.0974 1.8404 CSV PDB
6.5 -1.1155 1.8404 CSV PDB
7.0 -1.1084 1.8404 CSV PDB
7.5 -1.0839 1.8403 CSV PDB
8.0 -1.0494 1.8401 CSV PDB
8.5 -1.007 1.8395 CSV PDB
9.0 -0.9564 1.8376 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH