Fontolizumab / 1t04

A4DAB119_1t04_B_A | Source PDB: 1t04 | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7592
Max Score
2.0705
Min Score
-3.7415
Total Score
-327.97
Score CDR
-0.2715
Score non-CDR
-0.8145

Calculation Parameters

Chain Sequence(s) VQLVQSGAELKKPGSSVKVSCKASGYIFTSSWINWVKQAPGQGLEWIGRIDPSDGEVHYNQDFKDKATLTVDKSTNTAYMELSSLRSEDTAVYYCARGFLPWFADWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSTLSASVGDRVTITCKASENVDTYVSWYQQKPGKAPKLLIYGASNRYTGVPSRFSGSGSGTDFTLTISSLQPDDFATYYCGQSYNYPFTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.7415
Maximum Score 2.0705
Average Score -0.7592
Total Score -327.9699

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

Index Residue Chain A4D Score Classification
2 V B 1.1558 Aggregation-prone
3 Q B -0.6661 Soluble
4 L B 0.0000 Buried
5 V B -0.3973 Soluble
6 Q B 0.0000 Buried
7 S B -0.5950 Soluble
8 G B -0.2372 Soluble
9 A B 0.2378 Aggregation-prone
11 E B -0.0329 Soluble
12 L B 0.5268 Aggregation-prone
13 K B -1.2334 Soluble
14 K B -2.3209 Soluble
15 P B -1.9521 Soluble
16 G B -1.6670 Soluble
17 S B -1.3237 Soluble
18 S B -1.4134 Soluble
19 V B 0.0000 Buried
20 K B -1.9941 Soluble
21 V B 0.0000 Buried
22 S B -0.6600 Soluble
23 C B 0.0000 Buried
24 K B -1.3839 Soluble
25 A B 0.0000 Buried
26 S B -0.0701 Soluble
27 G B 0.4981 Aggregation-prone
28 Y B 1.1885 Aggregation-prone
29 I B 2.0705 Aggregation-prone
30 F B 0.0000 Buried
35 T B -0.2416 Soluble
36 S B 0.7105 Aggregation-prone
37 S B 0.0000 Buried
38 W B 0.3005 Aggregation-prone
39 I B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 K B -0.6210 Soluble
44 Q B -0.8097 Soluble
45 A B -1.0164 Soluble
46 P B -0.8001 Soluble
47 G B -1.2605 Soluble
48 Q B -1.9480 Soluble
49 G B -1.5089 Soluble
50 L B 0.0000 Buried
51 E B -1.4107 Soluble
52 W B 0.0000 Buried
53 I B 0.0000 Buried
54 G B 0.0000 Buried
55 R B -0.3413 Soluble
56 I B 0.0000 Buried
57 D B -1.3445 Soluble
58 P B 0.0000 Buried
59 S B -1.7181 Soluble
62 D B -2.5429 Soluble
63 G B -1.8673 Soluble
64 E B -1.6223 Soluble
65 V B -0.5162 Soluble
66 H B -0.5842 Soluble
67 Y B -1.0957 Soluble
68 N B -1.8444 Soluble
69 Q B -3.0148 Soluble
70 D B -3.3259 Soluble
71 F B 0.0000 Buried
72 K B -3.7415 Soluble
74 D B -3.3281 Soluble
75 K B -2.3295 Soluble
76 A B 0.0000 Buried
77 T B -1.1398 Soluble
78 L B 0.0000 Buried
79 T B -0.6358 Soluble
80 V B -0.9544 Soluble
81 D B -1.8573 Soluble
82 K B -2.5529 Soluble
83 S B -1.3565 Soluble
84 T B -1.2477 Soluble
85 N B -1.3655 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5709 Soluble
89 M B 0.0000 Buried
90 E B -1.6621 Soluble
91 L B 0.0000 Buried
92 S B -1.4242 Soluble
93 S B -1.4643 Soluble
94 L B 0.0000 Buried
95 R B -3.1455 Soluble
96 S B -2.2992 Soluble
97 E B -2.5172 Soluble
98 D B 0.0000 Buried
99 T B -0.8401 Soluble
100 A B 0.0000 Buried
101 V B 0.3726 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 0.2373 Aggregation-prone
107 G B 0.0000 Buried
108 F B 1.5560 Aggregation-prone
109 L B 1.9145 Aggregation-prone
113 P B 1.0374 Aggregation-prone
114 W B 0.9488 Aggregation-prone
115 F B 0.0000 Buried
116 A B 0.0000 Buried
117 D B -0.4252 Soluble
118 W B -0.5596 Soluble
119 G B 0.0000 Buried
120 Q B -1.4656 Soluble
121 G B -0.5905 Soluble
122 T B 0.0000 Buried
123 L B 0.8272 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2294 Soluble
126 V B 0.0000 Buried
127 S B -1.0734 Soluble
128 S B -1.1695 Soluble
129 A B -0.8106 Soluble
130 S B -0.8867 Soluble
131 T B -1.0660 Soluble
132 K B -1.8673 Soluble
133 G B -1.7848 Soluble
134 P B -0.7979 Soluble
135 S B -0.4885 Soluble
136 V B -0.4490 Soluble
137 F B 0.0000 Buried
138 P B -1.2686 Soluble
139 L B 0.0000 Buried
140 A B -1.2638 Soluble
141 P B 0.0000 Buried
142 S B -0.9432 Soluble
143 S B -1.4323 Soluble
144 K B -2.1505 Soluble
145 S B -1.4324 Soluble
146 T B -0.8950 Soluble
147 S B -0.8644 Soluble
148 G B -1.2235 Soluble
149 G B -1.1452 Soluble
150 T B -0.6123 Soluble
151 A B -0.5552 Soluble
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 -0.6002 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B -0.7825 Soluble
163 E B -1.0510 Soluble
164 P B -1.0971 Soluble
165 V B 0.0000 Buried
166 T B -0.6760 Soluble
167 V B -0.4061 Soluble
168 S B -0.3896 Soluble
169 W B 0.0000 Buried
170 N B -0.8482 Soluble
171 S B -0.6534 Soluble
172 G B -0.5210 Soluble
173 A B -0.2173 Soluble
174 L B 0.0046 Aggregation-prone
175 T B -0.1851 Soluble
176 S B -0.2549 Soluble
177 G B -0.2496 Soluble
178 V B 0.0865 Aggregation-prone
179 H B -0.1776 Soluble
180 T B 0.0060 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.3587 Soluble
183 A B 0.1136 Aggregation-prone
184 V B 0.6119 Aggregation-prone
185 L B 1.3393 Aggregation-prone
186 Q B 0.4136 Aggregation-prone
187 S B -0.0187 Soluble
188 S B -0.1634 Soluble
189 G B 0.0641 Aggregation-prone
190 L B -0.0827 Soluble
191 Y B 0.2125 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 -0.2062 Soluble
199 V B 0.0000 Buried
200 P B -0.6280 Soluble
201 S B -0.9263 Soluble
202 S B -0.6297 Soluble
203 S B -0.6215 Soluble
204 L B -0.8438 Soluble
205 G B -0.9942 Soluble
206 T B -0.7473 Soluble
207 Q B -1.2625 Soluble
208 T B -1.1056 Soluble
209 Y B 0.0000 Buried
210 I B -1.4298 Soluble
211 C B 0.0000 Buried
212 N B -1.4477 Soluble
213 V B 0.0000 Buried
214 N B -1.9210 Soluble
215 H B 0.0000 Buried
216 K B -2.8426 Soluble
217 P B -1.8492 Soluble
218 S B -1.9960 Soluble
219 N B -2.6446 Soluble
220 T B -2.1890 Soluble
221 K B -2.6105 Soluble
222 V B -1.5867 Soluble
223 D B -2.5679 Soluble
224 K B -2.1272 Soluble
225 K B -2.5088 Soluble
226 V B 0.0000 Buried
227 E B -2.8657 Soluble
228 P B -1.9821 Soluble
229 K B -2.3037 Soluble
230 S B -1.4540 Soluble
1 D A -2.3011 Soluble
2 I A -1.9391 Soluble
3 Q A -2.2979 Soluble
4 M A 0.0000 Buried
5 T A -1.3634 Soluble
6 Q A 0.0000 Buried
7 S A -0.7626 Soluble
8 P A -0.5799 Soluble
9 S A -0.7953 Soluble
10 T A -0.5662 Soluble
11 L A -0.4108 Soluble
12 S A -0.6765 Soluble
13 A A 0.0000 Buried
14 S A -0.4063 Soluble
15 V A 0.3727 Aggregation-prone
16 G A -0.5683 Soluble
17 D A -1.5409 Soluble
18 R A -2.3038 Soluble
19 V A 0.0000 Buried
20 T A -0.6328 Soluble
21 I A 0.0000 Buried
22 T A -0.8109 Soluble
23 C A 0.0000 Buried
24 K A -2.5679 Soluble
25 A A 0.0000 Buried
26 S A -2.3555 Soluble
27 E A -3.2027 Soluble
28 N A -2.2621 Soluble
29 V A 0.0000 Buried
36 D A -1.6613 Soluble
37 T A -0.6950 Soluble
38 Y A 0.1106 Aggregation-prone
39 V A 0.0000 Buried
40 S 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 0.0000 Buried
45 K A -1.8082 Soluble
46 P A -1.5715 Soluble
47 G A -1.6545 Soluble
48 K A -2.6247 Soluble
49 A A -1.7949 Soluble
50 P A 0.0000 Buried
51 K A -1.8702 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A -0.2198 Soluble
56 G A -0.4142 Soluble
57 A A 0.0000 Buried
65 S A -0.8745 Soluble
66 N A -1.3324 Soluble
67 R A -1.4376 Soluble
68 Y A -0.7709 Soluble
69 T A -0.5066 Soluble
70 G A -0.5615 Soluble
71 V A -0.6052 Soluble
72 P A -0.5010 Soluble
74 S A -0.6773 Soluble
75 R A -0.8971 Soluble
76 F A 0.0000 Buried
77 S A -0.7118 Soluble
78 G A 0.0000 Buried
79 S A -0.7844 Soluble
80 G A -1.3304 Soluble
83 S A -1.3136 Soluble
84 G A -1.8793 Soluble
85 T A -2.3056 Soluble
86 D A -2.7939 Soluble
87 F A 0.0000 Buried
88 T A -0.7966 Soluble
89 L A 0.0000 Buried
90 T A -0.5949 Soluble
91 I A 0.0000 Buried
92 S A -1.4672 Soluble
93 S A -1.0831 Soluble
94 L A 0.0000 Buried
95 Q A -1.0844 Soluble
96 P A -0.8209 Soluble
97 D A -1.8177 Soluble
98 D A 0.0000 Buried
99 F A -0.4290 Soluble
100 A A 0.0000 Buried
101 T A -0.7202 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 G A 0.0000 Buried
106 Q A 0.0000 Buried
107 S A 0.0000 Buried
108 Y A -0.2053 Soluble
109 N A -1.0276 Soluble
114 Y A -0.1987 Soluble
115 P A -0.8600 Soluble
116 F A 0.0000 Buried
117 T A -0.8401 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.7735 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -1.1993 Soluble
124 V A 0.0000 Buried
125 E A 0.0000 Buried
126 V A -0.4911 Soluble
127 K A -1.4396 Soluble
128 R A -1.1272 Soluble
129 T A -0.1986 Soluble
130 V A 0.2458 Aggregation-prone
131 A A 0.1402 Aggregation-prone
132 A A -0.0697 Soluble
133 P A -0.2716 Soluble
134 S A -0.0943 Soluble
135 V A 0.0000 Buried
136 F A -0.0351 Soluble
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.5425 Soluble
140 P A -0.8941 Soluble
141 S A -1.8929 Soluble
142 D A -3.1836 Soluble
143 E A -3.1667 Soluble
144 Q A 0.0000 Buried
145 L A -2.4039 Soluble
146 K A -2.9514 Soluble
147 S A -1.8194 Soluble
148 G A -1.7428 Soluble
149 T A -1.3987 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 -0.8039 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.7291 Soluble
162 R A -2.9918 Soluble
163 E A -3.2066 Soluble
164 A A -2.3148 Soluble
165 K A -2.3804 Soluble
166 V A -0.8982 Soluble
167 Q A -0.5253 Soluble
168 W A 0.0000 Buried
169 K A -0.6447 Soluble
170 V A 0.0000 Buried
171 D A -2.1831 Soluble
172 N A -1.6520 Soluble
173 A A -0.3415 Soluble
174 L A 0.7087 Aggregation-prone
175 Q A -0.2241 Soluble
176 S A -0.5975 Soluble
177 G A -1.1638 Soluble
178 N A -1.3734 Soluble
179 S A -1.2515 Soluble
180 Q A -1.1467 Soluble
181 E A -1.5880 Soluble
182 S A -0.8881 Soluble
183 V A -0.8500 Soluble
184 T A -1.2347 Soluble
185 E A -2.3182 Soluble
186 Q A -1.9441 Soluble
187 D A -1.9968 Soluble
188 S A -1.7170 Soluble
189 K A -2.2105 Soluble
190 D A -1.5648 Soluble
191 S A -1.7487 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 0.0000 Buried
199 L A 0.0000 Buried
200 T A -0.4808 Soluble
201 L A -0.8741 Soluble
202 S A -1.4632 Soluble
203 K A -2.4690 Soluble
204 A A -2.0512 Soluble
205 D A -2.8442 Soluble
206 Y A 0.0000 Buried
207 E A -3.0777 Soluble
208 K A -3.5681 Soluble
209 H A -3.0408 Soluble
210 K A -3.2961 Soluble
211 V A -1.5935 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.6097 Soluble
216 V A 0.0000 Buried
217 T A -1.1290 Soluble
218 H A 0.0000 Buried
219 Q A -1.8040 Soluble
220 G A -0.4594 Soluble
221 L A -0.1820 Soluble
222 S A -0.3912 Soluble
223 S A -0.3400 Soluble
224 P A -0.4218 Soluble
225 V A 0.1646 Aggregation-prone
226 T A -0.4240 Soluble
227 K A -0.7762 Soluble
228 S A -0.5204 Soluble
229 F A -0.8406 Soluble
230 N A -1.8396 Soluble
231 R A -2.4526 Soluble
232 G A -1.9099 Soluble
233 E A -2.1628 Soluble
234 C A -0.7634 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 -0.8077 2.9235 CSV PDB
4.5 -0.8596 2.9235 CSV PDB
5.0 -0.9201 2.9235 CSV PDB
5.5 -0.9761 2.9235 CSV PDB
6.0 -1.0134 2.9235 CSV PDB
6.5 -1.0214 2.9235 CSV PDB
7.0 -1.0018 2.9235 CSV PDB
7.5 -0.9651 2.9235 CSV PDB
8.0 -0.9196 2.9235 CSV PDB
8.5 -0.8676 2.9235 CSV PDB
9.0 -0.8078 2.9235 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH