Fontolizumab / 1t04

A4DAB119_1t04_D_C | Source PDB: 1t04 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7227
Max Score
2.5075
Min Score
-3.683
Total Score
-312.2
Score CDR
-0.2522
Score non-CDR
-0.776

Calculation Parameters

Chain Sequence(s) VQLVQSGAELKKPGSSVKVSCKASGYIFTSSWINWVKQAPGQGLEWIGRIDPSDGEVHYNQDFKDKATLTVDKSTNTAYMELSSLRSEDTAVYYCARGFLPWFADWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSTLSASVGDRVTITCKASENVDTYVSWYQQKPGKAPKLLIYGASNRYTGVPSRFSGSGSGTDFTLTISSLQPDDFATYYCGQSYNYPFTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.683
Maximum Score 2.5075
Average Score -0.7227
Total Score -312.1979

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

Index Residue Chain A4D Score Classification
2 V D 1.1733 Aggregation-prone
3 Q D -0.7539 Soluble
4 L D 0.0000 Buried
5 V D -0.5596 Soluble
6 Q D 0.0000 Buried
7 S D -0.6215 Soluble
8 G D -0.3312 Soluble
9 A D 0.2240 Aggregation-prone
11 E D -0.0479 Soluble
12 L D 0.4481 Aggregation-prone
13 K D -1.2007 Soluble
14 K D -2.3143 Soluble
15 P D -1.9545 Soluble
16 G D -1.6152 Soluble
17 S D -1.3073 Soluble
18 S D -1.3942 Soluble
19 V D 0.0000 Buried
20 K D -1.9056 Soluble
21 V D 0.0000 Buried
22 S D -0.6615 Soluble
23 C D 0.0000 Buried
24 K D -1.8007 Soluble
25 A D 0.0000 Buried
26 S D -0.1973 Soluble
27 G D 0.4933 Aggregation-prone
28 Y D 1.2432 Aggregation-prone
29 I D 2.0968 Aggregation-prone
30 F D 0.0000 Buried
35 T D -0.2468 Soluble
36 S D 0.9731 Aggregation-prone
37 S D 0.0000 Buried
38 W D 0.5843 Aggregation-prone
39 I D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 K D -0.6354 Soluble
44 Q D -0.7875 Soluble
45 A D -1.0233 Soluble
46 P D -0.7960 Soluble
47 G D -1.2526 Soluble
48 Q D -1.9677 Soluble
49 G D -1.4962 Soluble
50 L D 0.0000 Buried
51 E D -1.4556 Soluble
52 W D 0.0000 Buried
53 I D 0.0000 Buried
54 G D 0.0000 Buried
55 R D 0.0000 Buried
56 I D 0.0000 Buried
57 D D -1.5557 Soluble
58 P D 0.0000 Buried
59 S D -1.8701 Soluble
62 D D -2.7307 Soluble
63 G D -2.1432 Soluble
64 E D -2.0687 Soluble
65 V D -0.6683 Soluble
66 H D -0.5477 Soluble
67 Y D -0.8691 Soluble
68 N D 0.0000 Buried
69 Q D -2.9039 Soluble
70 D D -3.2754 Soluble
71 F D 0.0000 Buried
72 K D -3.6830 Soluble
74 D D -3.3108 Soluble
75 K D -2.2636 Soluble
76 A D 0.0000 Buried
77 T D -0.9865 Soluble
78 L D 0.0000 Buried
79 T D -0.6190 Soluble
80 V D -1.1783 Soluble
81 D D -2.1536 Soluble
82 K D -2.7593 Soluble
83 S D -1.5154 Soluble
84 T D -1.4628 Soluble
85 N D -1.7185 Soluble
86 T D 0.0000 Buried
87 A D 0.0000 Buried
88 Y D -0.4259 Soluble
89 M D 0.0000 Buried
90 E D -1.3240 Soluble
91 L D 0.0000 Buried
92 S D -1.3850 Soluble
93 S D -1.4744 Soluble
94 L D 0.0000 Buried
95 R D -3.1094 Soluble
96 S D -2.2427 Soluble
97 E D -2.4988 Soluble
98 D D 0.0000 Buried
99 T D -0.8350 Soluble
100 A D 0.0000 Buried
101 V D 0.3865 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 G D 0.0000 Buried
108 F D 2.5075 Aggregation-prone
109 L D 2.1520 Aggregation-prone
113 P D 1.1663 Aggregation-prone
114 W D 1.1993 Aggregation-prone
115 F D 0.0000 Buried
116 A D 0.6027 Aggregation-prone
117 D D -0.1766 Soluble
118 W D -0.4820 Soluble
119 G D 0.0000 Buried
120 Q D -1.4641 Soluble
121 G D -0.5777 Soluble
122 T D 0.0000 Buried
123 L D 0.8061 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3356 Soluble
126 V D 0.0000 Buried
127 S D -1.0376 Soluble
128 S D -1.1388 Soluble
129 A D -0.5643 Soluble
130 S D -0.6949 Soluble
131 T D -0.7059 Soluble
132 K D -1.1376 Soluble
133 G D -1.3571 Soluble
134 P D -0.5308 Soluble
135 S D -0.2036 Soluble
136 V D -0.3507 Soluble
137 F D -0.3511 Soluble
138 P D -0.8377 Soluble
139 L D 0.0000 Buried
140 A D -1.1658 Soluble
141 P D 0.0000 Buried
142 S D -0.9391 Soluble
143 S D -1.4079 Soluble
144 K D -2.0400 Soluble
145 S D -1.3344 Soluble
146 T D -0.9192 Soluble
147 S D -0.9148 Soluble
148 G D -0.9372 Soluble
149 G D -0.9729 Soluble
150 T D -0.6289 Soluble
151 A D -0.3615 Soluble
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.3392 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D -0.6445 Soluble
163 E D -1.0311 Soluble
164 P D -1.0620 Soluble
165 V D 0.0000 Buried
166 T D -0.6784 Soluble
167 V D -0.0703 Soluble
168 S D -0.3899 Soluble
169 W D 0.0000 Buried
170 N D -0.7485 Soluble
171 S D -0.6532 Soluble
172 G D -0.5487 Soluble
173 A D -0.2262 Soluble
174 L D -0.0588 Soluble
175 T D -0.2584 Soluble
176 S D -0.3598 Soluble
177 G D -0.4812 Soluble
178 V D -0.0330 Soluble
179 H D -0.3506 Soluble
180 T D 0.0441 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.3061 Soluble
183 A D 0.0849 Aggregation-prone
184 V D 0.4108 Aggregation-prone
185 L D 0.9015 Aggregation-prone
186 Q D 0.0981 Aggregation-prone
187 S D -0.2391 Soluble
188 S D -0.2437 Soluble
189 G D -0.0345 Soluble
190 L D -0.0237 Soluble
191 Y D 0.2020 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.2743 Soluble
199 V D 0.0000 Buried
200 P D -0.6374 Soluble
201 S D -0.8523 Soluble
202 S D -0.6290 Soluble
203 S D -0.6485 Soluble
204 L D -0.8407 Soluble
205 G D -0.9850 Soluble
206 T D -0.7104 Soluble
207 Q D -1.2030 Soluble
208 T D -1.0796 Soluble
209 Y D 0.0000 Buried
210 I D -1.3072 Soluble
211 C D 0.0000 Buried
212 N D -1.4553 Soluble
213 V D 0.0000 Buried
214 N D -1.9521 Soluble
215 H D 0.0000 Buried
216 K D -2.8120 Soluble
217 P D -1.7104 Soluble
218 S D -1.7938 Soluble
219 N D -2.5499 Soluble
220 T D -2.0959 Soluble
221 K D -2.6093 Soluble
222 V D -1.5555 Soluble
223 D D -2.5136 Soluble
224 K D -1.9389 Soluble
225 K D -2.3177 Soluble
226 V D 0.0000 Buried
227 E D -2.7898 Soluble
228 P D -1.9846 Soluble
229 K D -2.2497 Soluble
230 S D -1.4449 Soluble
1 D C -2.4034 Soluble
2 I C 0.0000 Buried
3 Q C -2.3575 Soluble
4 M C 0.0000 Buried
5 T C -1.3510 Soluble
6 Q C 0.0000 Buried
7 S C -0.7158 Soluble
8 P C -0.5306 Soluble
9 S C -0.7081 Soluble
10 T C -0.3893 Soluble
11 L C -0.2990 Soluble
12 S C -0.6538 Soluble
13 A C 0.0000 Buried
14 S C -0.4369 Soluble
15 V C 0.3579 Aggregation-prone
16 G C -0.7265 Soluble
17 D C -1.6387 Soluble
18 R C -2.3441 Soluble
19 V C 0.0000 Buried
20 T C -0.6443 Soluble
21 I C 0.0000 Buried
22 T C -0.7824 Soluble
23 C C 0.0000 Buried
24 K C -2.5847 Soluble
25 A C 0.0000 Buried
26 S C -2.4255 Soluble
27 E C -3.2135 Soluble
28 N C -2.4512 Soluble
29 V C 0.0000 Buried
36 D C -1.8517 Soluble
37 T C -0.7773 Soluble
38 Y C 0.0518 Aggregation-prone
39 V C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 K C -1.7581 Soluble
46 P C -1.5332 Soluble
47 G C -1.5670 Soluble
48 K C -2.3773 Soluble
49 A C -1.6264 Soluble
50 P C 0.0000 Buried
51 K C -1.5805 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.2938 Soluble
56 G C -0.5224 Soluble
57 A C 0.0000 Buried
65 S C -1.0691 Soluble
66 N C -1.7607 Soluble
67 R C -1.6879 Soluble
68 Y C -0.8774 Soluble
69 T C -0.6063 Soluble
70 G C -0.6507 Soluble
71 V C 0.0000 Buried
72 P C -0.5981 Soluble
74 S C -0.7367 Soluble
75 R C -1.0142 Soluble
76 F C 0.0000 Buried
77 S C -0.8324 Soluble
78 G C 0.0000 Buried
79 S C -0.8148 Soluble
80 G C -1.2767 Soluble
83 S C -1.4942 Soluble
84 G C -1.9701 Soluble
85 T C -2.3303 Soluble
86 D C -2.6975 Soluble
87 F C 0.0000 Buried
88 T C -0.7659 Soluble
89 L C 0.0000 Buried
90 T C -0.6030 Soluble
91 I C 0.0000 Buried
92 S C -1.4796 Soluble
93 S C -1.1524 Soluble
94 L C 0.0000 Buried
95 Q C -1.1050 Soluble
96 P C -0.8372 Soluble
97 D C -1.8183 Soluble
98 D C 0.0000 Buried
99 F C -0.3397 Soluble
100 A C 0.0000 Buried
101 T C -0.5885 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 G C 0.0000 Buried
106 Q C 0.0000 Buried
107 S C 0.0000 Buried
108 Y C -0.2828 Soluble
109 N C -0.8595 Soluble
114 Y C -0.1005 Soluble
115 P C -0.7986 Soluble
116 F C 0.0000 Buried
117 T C -0.7803 Soluble
118 F C -0.5605 Soluble
119 G C 0.0000 Buried
120 Q C -1.7794 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -0.8297 Soluble
124 V C 0.0000 Buried
125 E C 0.0000 Buried
126 V C -0.4738 Soluble
127 K C -1.4700 Soluble
128 R C -1.2384 Soluble
129 T C -0.2103 Soluble
130 V C 0.4472 Aggregation-prone
131 A C 0.1098 Aggregation-prone
132 A C -0.1100 Soluble
133 P C -0.1446 Soluble
134 S C -0.1525 Soluble
135 V C 0.0000 Buried
136 F C 0.1234 Aggregation-prone
137 I C 0.1428 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.4710 Soluble
140 P C 0.0000 Buried
141 S C -1.3526 Soluble
142 D C -2.5800 Soluble
143 E C -2.1404 Soluble
144 Q C 0.0000 Buried
145 L C -2.0260 Soluble
146 K C -2.6063 Soluble
147 S C -1.6279 Soluble
148 G C -1.4430 Soluble
149 T C -1.1851 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.8649 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.2850 Soluble
162 R C -1.9366 Soluble
163 E C -2.6620 Soluble
164 A C -1.9497 Soluble
165 K C -2.3199 Soluble
166 V C -0.9817 Soluble
167 Q C -0.5628 Soluble
168 W C 0.0000 Buried
169 K C -0.6563 Soluble
170 V C 0.0000 Buried
171 D C -1.7985 Soluble
172 N C -1.4041 Soluble
173 A C -0.3318 Soluble
174 L C 0.6792 Aggregation-prone
175 Q C -0.4135 Soluble
176 S C -0.7456 Soluble
177 G C -1.3446 Soluble
178 N C -1.7363 Soluble
179 S C -1.4248 Soluble
180 Q C -1.2206 Soluble
181 E C -1.4129 Soluble
182 S C -0.6385 Soluble
183 V C -0.2596 Soluble
184 T C -0.9037 Soluble
185 E C -2.0839 Soluble
186 Q C -1.7428 Soluble
187 D C -2.0221 Soluble
188 S C -1.7302 Soluble
189 K C -2.3249 Soluble
190 D C -1.8458 Soluble
191 S C -1.8706 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C -0.4634 Soluble
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6788 Soluble
199 L C 0.0000 Buried
200 T C -0.5096 Soluble
201 L C -0.8375 Soluble
202 S C -1.3310 Soluble
203 K C -2.0678 Soluble
204 A C -1.9358 Soluble
205 D C -2.6254 Soluble
206 Y C 0.0000 Buried
207 E C -3.2646 Soluble
208 K C -3.4612 Soluble
209 H C -2.9380 Soluble
210 K C -3.0538 Soluble
211 V C -1.6799 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.6320 Soluble
216 V C 0.0000 Buried
217 T C -1.2114 Soluble
218 H C 0.0000 Buried
219 Q C -1.7096 Soluble
220 G C -0.5154 Soluble
221 L C -0.2791 Soluble
222 S C -0.4539 Soluble
223 S C -0.3904 Soluble
224 P C -0.4611 Soluble
225 V C 0.1356 Aggregation-prone
226 T C -0.3616 Soluble
227 K C -0.6311 Soluble
228 S C -0.4660 Soluble
229 F C -0.7310 Soluble
230 N C -1.7379 Soluble
231 R C -2.3311 Soluble
232 G C -1.8818 Soluble
233 E C -2.1029 Soluble
234 C C -0.7580 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 -0.7268 5.0879 CSV PDB
4.5 -0.7775 5.0792 CSV PDB
5.0 -0.8365 5.0698 CSV PDB
5.5 -0.8914 5.0602 CSV PDB
6.0 -0.9288 5.0506 CSV PDB
6.5 -0.9386 5.0409 CSV PDB
7.0 -0.9221 5.0313 CSV PDB
7.5 -0.8891 5.0219 CSV PDB
8.0 -0.8475 5.0133 CSV PDB
8.5 -0.7993 5.0063 CSV PDB
9.0 -0.7433 5.0018 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH