Satumomab / 1bbj

A4DAB236_1bbj_H_L | Source PDB: 1bbj | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.8198
Max Score
1.49
Min Score
-3.9333
Total Score
-345.97
Score CDR
-0.6835
Score non-CDR
-0.8345

Calculation Parameters

Chain Sequence(s) VQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWAKQKPEQGLEWIGYISPGNDDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKRSYYGHWGQGTTLTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVDIQMTQSPASLSVSVGETVTITCRASENIYSNLAWYQQKQGKSPQLLVYAATNLADGVPSRFSGSGSGTQYSLKINSLQSEDFGSYYCQHFWGTPYTFGGGTRLEIKRADAAPTVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.9333
Maximum Score 1.49
Average Score -0.8198
Total Score -345.9685

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

Index Residue Chain A4D Score Classification
2 V H 0.0247 Aggregation-prone
3 Q H -1.5254 Soluble
4 L H 0.0000 Buried
5 Q H -2.0149 Soluble
6 Q H -1.7095 Soluble
7 S H -1.8578 Soluble
8 D H -2.6519 Soluble
9 A H -1.7747 Soluble
11 E H -2.1309 Soluble
12 L H -0.7594 Soluble
13 V H -1.0662 Soluble
14 K H -2.0365 Soluble
15 P H -1.3559 Soluble
16 G H -1.1674 Soluble
17 A H -0.9699 Soluble
18 S H -1.2199 Soluble
19 V H 0.0000 Buried
20 K H -2.0222 Soluble
21 I H 0.0000 Buried
22 S H 0.0000 Buried
23 C H 0.0000 Buried
24 K H -1.7287 Soluble
25 A H 0.0000 Buried
26 S H -0.8066 Soluble
27 G H -0.3060 Soluble
28 Y H -0.2338 Soluble
29 T H -0.6018 Soluble
30 F H 0.0000 Buried
35 T H -1.9774 Soluble
36 D H -2.2132 Soluble
37 H H -1.2943 Soluble
38 A H -0.9412 Soluble
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 A H 0.0000 Buried
43 K H -0.7708 Soluble
44 Q H -1.3308 Soluble
45 K H -1.9602 Soluble
46 P H -1.8184 Soluble
47 E H -2.8761 Soluble
48 Q H -2.6921 Soluble
49 G H -1.7579 Soluble
50 L H 0.0000 Buried
51 E H -1.5046 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H -0.0663 Soluble
56 I H 0.0000 Buried
57 S H -1.8341 Soluble
58 P H 0.0000 Buried
59 G H -2.4918 Soluble
62 N H -2.7858 Soluble
63 D H -3.0340 Soluble
64 D H -2.3343 Soluble
65 I H -0.8746 Soluble
66 K H -1.2290 Soluble
67 Y H -1.4995 Soluble
68 N H 0.0000 Buried
69 E H -3.5343 Soluble
70 K H -3.2340 Soluble
71 F H 0.0000 Buried
72 K H -3.1806 Soluble
74 G H -2.1513 Soluble
75 K H -1.6964 Soluble
76 A H 0.0000 Buried
77 T H -0.9003 Soluble
78 L H 0.0000 Buried
79 T H -0.5052 Soluble
80 A H -1.2610 Soluble
81 D H -1.8554 Soluble
82 K H -2.4848 Soluble
83 S H -1.3932 Soluble
84 S H -1.1973 Soluble
85 S H -1.3172 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5921 Soluble
89 M H 0.0000 Buried
90 Q H -1.3891 Soluble
91 L H 0.0000 Buried
92 N H -1.1133 Soluble
93 S H -1.0390 Soluble
94 L H 0.0000 Buried
95 T H -1.3016 Soluble
96 S H -1.4417 Soluble
97 E H -2.0333 Soluble
98 D H 0.0000 Buried
99 S H -0.9047 Soluble
100 A H 0.0000 Buried
101 V H -0.2848 Soluble
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 K H 0.0000 Buried
106 R H -0.7327 Soluble
107 S H -0.2267 Soluble
108 Y H 0.7393 Aggregation-prone
115 Y H 0.3718 Aggregation-prone
116 G H 0.0000 Buried
117 H H -1.2838 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -2.2052 Soluble
121 G H -1.3288 Soluble
122 T H 0.0000 Buried
123 T H -0.8406 Soluble
124 L H 0.0000 Buried
125 T H -0.7469 Soluble
126 V H 0.0000 Buried
127 S H -0.7634 Soluble
128 S H -0.8368 Soluble
129 A H -0.4859 Soluble
130 S H -0.5609 Soluble
131 T H -0.5579 Soluble
132 K H -0.9518 Soluble
133 G H -1.3129 Soluble
134 P H -0.5386 Soluble
135 S H -0.4007 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.7131 Soluble
139 L H 0.0000 Buried
140 A H 0.3017 Aggregation-prone
141 P H -0.2179 Soluble
142 C H -0.0144 Soluble
143 S H -0.8423 Soluble
144 R H -2.0685 Soluble
145 S H -1.8126 Soluble
146 T H -1.3337 Soluble
147 S H -1.4518 Soluble
148 E H -2.3448 Soluble
149 S H -1.6202 Soluble
150 T H -1.0887 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 -0.2313 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.5422 Soluble
164 P H -0.8550 Soluble
165 V H -0.6319 Soluble
166 T H -0.5723 Soluble
167 V H -0.2046 Soluble
168 S H -0.5063 Soluble
169 W H 0.0000 Buried
170 N H -1.1359 Soluble
171 S H -0.8235 Soluble
172 G H -0.5821 Soluble
173 A H -0.2686 Soluble
174 L H -0.0854 Soluble
175 T H -0.1231 Soluble
176 S H -0.1499 Soluble
177 G H -0.0694 Soluble
178 V H 0.2941 Aggregation-prone
179 H H -0.1439 Soluble
180 T H -0.0078 Soluble
181 F H 0.0000 Buried
182 P H -0.2628 Soluble
183 A H 0.2839 Aggregation-prone
184 V H 0.6504 Aggregation-prone
185 L H 1.4900 Aggregation-prone
186 Q H 0.5067 Aggregation-prone
187 S H -0.0414 Soluble
188 S H -0.1378 Soluble
189 G H 0.1643 Aggregation-prone
190 L H 0.2763 Aggregation-prone
191 Y H 0.5817 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 -0.0874 Soluble
199 V H 0.0000 Buried
200 P H -0.4595 Soluble
201 S H -0.6697 Soluble
202 S H -0.0043 Soluble
203 S H 0.0785 Aggregation-prone
204 L H 0.7316 Aggregation-prone
205 G H -0.1405 Soluble
206 T H -0.4390 Soluble
207 K H -1.0146 Soluble
208 T H -0.7087 Soluble
209 Y H 0.0000 Buried
210 T H 0.0000 Buried
211 C H 0.0000 Buried
212 N H -1.7760 Soluble
213 V H 0.0000 Buried
214 D H -1.8447 Soluble
215 H H 0.0000 Buried
216 K H -3.1215 Soluble
217 P H -2.0244 Soluble
218 S H -1.7318 Soluble
219 N H -2.4410 Soluble
220 T H -1.9804 Soluble
221 K H -2.6926 Soluble
222 V H -1.7777 Soluble
223 D H -2.7357 Soluble
224 K H -2.0951 Soluble
225 R H -2.0095 Soluble
226 V H -0.0361 Soluble
1 D L -2.6038 Soluble
2 I L 0.0000 Buried
3 Q L -2.3958 Soluble
4 M L 0.0000 Buried
5 T L -1.3836 Soluble
6 Q L -1.0820 Soluble
7 S L -0.5971 Soluble
8 P L -0.4613 Soluble
9 A L -0.6049 Soluble
10 S L -0.7816 Soluble
11 L L -0.5867 Soluble
12 S L -0.7689 Soluble
13 V L -0.7477 Soluble
14 S L -1.0315 Soluble
15 V L -0.9124 Soluble
16 G L -1.2357 Soluble
17 E L -1.9741 Soluble
18 T L -1.6696 Soluble
19 V L 0.0000 Buried
20 T L -0.6865 Soluble
21 I L 0.0000 Buried
22 T L -1.0131 Soluble
23 C L 0.0000 Buried
24 R L -3.0336 Soluble
25 A L 0.0000 Buried
26 S L -2.4399 Soluble
27 E L -2.8073 Soluble
28 N L -1.4361 Soluble
29 I L 0.0000 Buried
36 Y L 0.7828 Aggregation-prone
37 S L 0.1340 Aggregation-prone
38 N L 0.2104 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.8934 Soluble
44 Q L 0.0000 Buried
45 K L -2.0366 Soluble
46 Q L -2.2686 Soluble
47 G L -1.9048 Soluble
48 K L -2.2700 Soluble
49 S L -1.7608 Soluble
50 P L 0.0000 Buried
51 Q L -1.5097 Soluble
52 L L -0.5591 Soluble
53 L L 0.0000 Buried
54 V L 0.0000 Buried
55 Y L 0.4556 Aggregation-prone
56 A L 0.2864 Aggregation-prone
57 A L 0.0000 Buried
65 T L -0.2981 Soluble
66 N L -0.3797 Soluble
67 L L -0.0024 Soluble
68 A L 0.0000 Buried
69 D L -1.7617 Soluble
70 G L -1.2434 Soluble
71 V L -0.6424 Soluble
72 P L -0.5113 Soluble
74 S L -0.5857 Soluble
75 R L -1.2801 Soluble
76 F L 0.0000 Buried
77 S L -0.8932 Soluble
78 G L 0.0000 Buried
79 S L -0.8643 Soluble
80 G L -0.9869 Soluble
83 S L -0.8772 Soluble
84 G L -1.0571 Soluble
85 T L -1.8842 Soluble
86 Q L -2.4611 Soluble
87 Y L 0.0000 Buried
88 S L 0.0000 Buried
89 L L 0.0000 Buried
90 K L -1.6190 Soluble
91 I L 0.0000 Buried
92 N L -2.2899 Soluble
93 S L -1.6397 Soluble
94 L L 0.0000 Buried
95 Q L -1.7373 Soluble
96 S L -2.1865 Soluble
97 E L -2.4027 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 G L 0.0000 Buried
101 S L -1.1886 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 H L 0.0000 Buried
107 F L 0.0000 Buried
108 W L 0.5283 Aggregation-prone
109 G L -0.2771 Soluble
114 T L -0.7648 Soluble
115 P L -1.4203 Soluble
116 Y L 0.0000 Buried
117 T L -0.9076 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.0389 Soluble
121 G L -1.0199 Soluble
122 T L 0.0000 Buried
123 R L -1.8420 Soluble
124 L L 0.0000 Buried
125 E L -1.2951 Soluble
126 I L 0.0000 Buried
127 K L -1.9825 Soluble
128 R L -1.8316 Soluble
129 A L -1.4939 Soluble
130 D L -2.4018 Soluble
131 A L -1.3156 Soluble
132 A L -0.8319 Soluble
133 P L 0.0000 Buried
134 T L -0.3509 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5975 Soluble
140 P L 0.0000 Buried
141 S L -1.6777 Soluble
142 D L -3.1203 Soluble
143 E L -3.2917 Soluble
144 Q L 0.0000 Buried
145 L L -2.5316 Soluble
146 K L -3.0423 Soluble
147 S L -1.9312 Soluble
148 G L -1.3936 Soluble
149 T L -1.0841 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 -1.0438 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -2.4129 Soluble
162 R L -2.6953 Soluble
163 E L -3.1061 Soluble
164 A L -2.2785 Soluble
165 K L -2.5506 Soluble
166 V L -1.2192 Soluble
167 Q L -0.7393 Soluble
168 W L 0.0000 Buried
169 K L -0.6471 Soluble
170 V L 0.0000 Buried
171 D L -1.9288 Soluble
172 N L -1.3038 Soluble
173 A L -0.2540 Soluble
174 L L 0.6508 Aggregation-prone
175 Q L -0.2123 Soluble
176 S L -0.3308 Soluble
177 G L -0.6821 Soluble
178 N L -0.7882 Soluble
179 S L -0.9114 Soluble
180 Q L -0.8744 Soluble
181 E L -1.5735 Soluble
182 S L -0.6239 Soluble
183 V L -0.6566 Soluble
184 T L -0.6425 Soluble
185 E L -1.0517 Soluble
186 Q L 0.0000 Buried
187 D L -2.3151 Soluble
188 S L -2.4556 Soluble
189 K L -3.0905 Soluble
190 D L -2.6989 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 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.3388 Soluble
201 L L -0.7123 Soluble
202 S L -1.2706 Soluble
203 K L -2.2306 Soluble
204 A L -1.9574 Soluble
205 D L -2.3959 Soluble
206 Y L 0.0000 Buried
207 E L -3.9333 Soluble
208 K L -3.8571 Soluble
209 H L -3.5290 Soluble
210 K L -3.8208 Soluble
211 V L -2.0002 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9862 Soluble
216 V L 0.0000 Buried
217 T L -1.2178 Soluble
218 H L 0.0000 Buried
219 Q L -2.1817 Soluble
220 G L -1.5360 Soluble
221 L L -0.7334 Soluble
222 S L -0.5474 Soluble
223 S L -0.4597 Soluble
224 P L -0.5565 Soluble
225 V L 0.1062 Aggregation-prone
226 T L -0.3880 Soluble
227 K L -0.4443 Soluble
228 S L -0.7135 Soluble
229 F L 0.0000 Buried
230 N L -2.7271 Soluble
231 R L -3.8175 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 -0.8668 1.8205 CSV PDB
4.5 -0.9214 1.8022 CSV PDB
5.0 -0.9849 1.7806 CSV PDB
5.5 -1.0447 1.7755 CSV PDB
6.0 -1.0884 1.7755 CSV PDB
6.5 -1.1066 1.7755 CSV PDB
7.0 -1.0991 1.7754 CSV PDB
7.5 -1.0748 1.7754 CSV PDB
8.0 -1.041 1.7752 CSV PDB
8.5 -1.0 1.7746 CSV PDB
9.0 -0.9513 1.7729 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH