Benufutamab / 6t3j

A4DAB041_6t3j_F_G | Source PDB: 6t3j | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7617
Max Score
2.0762
Min Score
-3.8191
Total Score
-329.04
Score CDR
-0.5293
Score non-CDR
-0.7887

Calculation Parameters

Chain Sequence(s) EVQLQQSGAEVVKPGASVKLSCKASGFNIKDTFIHWVKQAPGQGLEWIGRIDPANTNTKYDPKFQGKATITTDTSSNTAYMELSSLRSEDTAVYYCVRGLYTYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKEIVMTQSPATLSVSPGERATLSCRASQSISNNLHWYQQKPGQAPRLLIKFASQSITGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQGNSWPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) F (Heavy), G (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 -3.8191
Maximum Score 2.0762
Average Score -0.7617
Total Score -329.0419

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

Index Residue Chain A4D Score Classification
1 E F -1.9763 Soluble
2 V F -1.0816 Soluble
3 Q F -1.7153 Soluble
4 L F 0.0000 Buried
5 Q F -2.2330 Soluble
6 Q F -1.5245 Soluble
7 S F -1.0510 Soluble
8 G F -0.5065 Soluble
9 A F 0.0736 Aggregation-prone
11 E F -0.1614 Soluble
12 V F 0.5171 Aggregation-prone
13 V F 0.0000 Buried
14 K F -1.6769 Soluble
15 P F -1.9260 Soluble
16 G F -1.3754 Soluble
17 A F -0.9919 Soluble
18 S F -1.3387 Soluble
19 V F 0.0000 Buried
20 K F -1.9116 Soluble
21 L F 0.0000 Buried
22 S F -1.1461 Soluble
23 C F 0.0000 Buried
24 K F -1.9850 Soluble
25 A F 0.0000 Buried
26 S F -1.4002 Soluble
27 G F -1.2501 Soluble
28 F F -1.2640 Soluble
29 N F -1.9141 Soluble
30 I F 0.0000 Buried
35 K F -2.6710 Soluble
36 D F -2.2099 Soluble
37 T F 0.0000 Buried
38 F F 0.3296 Aggregation-prone
39 I F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 K F 0.0000 Buried
44 Q F 0.0000 Buried
45 A F -0.8565 Soluble
46 P F -0.7054 Soluble
47 G F -1.2083 Soluble
48 Q F -1.8935 Soluble
49 G F -1.4716 Soluble
50 L F 0.0000 Buried
51 E F -1.1778 Soluble
52 W F 0.0000 Buried
53 I F 0.0000 Buried
54 G F 0.0000 Buried
55 R F -0.6698 Soluble
56 I F 0.0000 Buried
57 D F -1.7138 Soluble
58 P F 0.0000 Buried
59 A F -1.6935 Soluble
62 N F -2.0569 Soluble
63 T F -1.7227 Soluble
64 N F -2.0551 Soluble
65 T F -1.2805 Soluble
66 K F -1.1172 Soluble
67 Y F -0.9530 Soluble
68 D F -1.4452 Soluble
69 P F -1.8663 Soluble
70 K F -2.3949 Soluble
71 F F 0.0000 Buried
72 Q F -2.2138 Soluble
74 G F -1.5324 Soluble
75 K F -1.5689 Soluble
76 A F 0.0000 Buried
77 T F -1.1262 Soluble
78 I F 0.0000 Buried
79 T F -0.8596 Soluble
80 T F -1.3112 Soluble
81 D F -1.6079 Soluble
82 T F -1.3404 Soluble
83 S F -0.7876 Soluble
84 S F -0.9915 Soluble
85 N F -1.4167 Soluble
86 T F 0.0000 Buried
87 A F 0.0000 Buried
88 Y F -0.8265 Soluble
89 M F 0.0000 Buried
90 E F -1.9210 Soluble
91 L F 0.0000 Buried
92 S F -1.2887 Soluble
93 S F -1.1878 Soluble
94 L F 0.0000 Buried
95 R F -2.9855 Soluble
96 S F -2.2630 Soluble
97 E F -2.5709 Soluble
98 D F 0.0000 Buried
99 T F -0.6813 Soluble
100 A F 0.0000 Buried
101 V F 0.4739 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 V F 0.0000 Buried
106 R F 0.0000 Buried
107 G F 0.0000 Buried
108 L F 1.7581 Aggregation-prone
109 Y F 2.0762 Aggregation-prone
110 T F 1.1815 Aggregation-prone
113 Y F 1.0199 Aggregation-prone
114 Y F 0.0000 Buried
115 F F 0.0000 Buried
116 D F 0.0821 Aggregation-prone
117 Y F -0.1017 Soluble
118 W F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.6135 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 L F 0.8976 Aggregation-prone
124 V F 0.0000 Buried
125 T F -0.2349 Soluble
126 V F 0.0000 Buried
127 S F -1.0767 Soluble
128 S F -0.9290 Soluble
129 A F -0.6253 Soluble
130 S F -0.5874 Soluble
131 T F -0.6792 Soluble
132 K F -1.4491 Soluble
133 G F -1.5606 Soluble
134 P F -0.8387 Soluble
135 S F -0.5532 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.1334 Soluble
139 L F 0.0000 Buried
140 A F -1.1065 Soluble
141 P F 0.0000 Buried
142 S F -1.5005 Soluble
143 S F -1.9272 Soluble
144 K F -2.4749 Soluble
145 S F -1.4121 Soluble
146 T F -0.9482 Soluble
147 S F -1.0081 Soluble
148 G F -0.9635 Soluble
149 G F -0.8319 Soluble
150 T F -0.5927 Soluble
151 A F -0.3884 Soluble
152 A F 0.0000 Buried
153 L F 0.0000 Buried
154 G F 0.0000 Buried
155 C F 0.0000 Buried
156 L F 0.0000 Buried
157 V F 0.0000 Buried
158 K F -0.3911 Soluble
159 D F -0.6318 Soluble
160 Y F 0.0000 Buried
161 F F 0.0000 Buried
162 P F 0.0000 Buried
163 E F -0.8439 Soluble
164 P F -1.0528 Soluble
165 V F -0.7424 Soluble
166 T F -0.7689 Soluble
167 V F -0.2619 Soluble
168 S F -0.3752 Soluble
169 W F 0.0000 Buried
170 N F -0.6366 Soluble
171 S F -0.5513 Soluble
172 G F -0.4718 Soluble
173 A F -0.1993 Soluble
174 L F 0.1115 Aggregation-prone
175 T F -0.1115 Soluble
176 S F -0.1225 Soluble
177 G F -0.1066 Soluble
178 V F 0.2285 Aggregation-prone
179 H F -0.2958 Soluble
180 T F 0.0214 Aggregation-prone
181 F F 0.0000 Buried
182 P F -0.4991 Soluble
183 A F 0.0685 Aggregation-prone
184 V F 0.5284 Aggregation-prone
185 L F 1.3286 Aggregation-prone
186 Q F 0.3044 Aggregation-prone
187 S F -0.1413 Soluble
188 S F -0.1706 Soluble
189 G F 0.0730 Aggregation-prone
190 L F 0.0047 Aggregation-prone
191 Y F 0.2747 Aggregation-prone
192 S F 0.0998 Aggregation-prone
193 L F 0.0000 Buried
194 S F 0.0000 Buried
195 S F 0.0000 Buried
196 V F 0.0000 Buried
197 V F 0.0000 Buried
198 T F -0.1504 Soluble
199 V F 0.0000 Buried
200 P F -0.5256 Soluble
201 S F -0.6388 Soluble
202 S F -0.6726 Soluble
203 S F -0.6458 Soluble
204 L F -0.8307 Soluble
205 G F -0.9991 Soluble
206 T F -0.7504 Soluble
207 Q F -1.2091 Soluble
208 T F -1.1891 Soluble
209 Y F 0.0000 Buried
210 I F -1.1173 Soluble
211 C F 0.0000 Buried
212 N F -1.4498 Soluble
213 V F 0.0000 Buried
214 N F -2.3061 Soluble
215 H F 0.0000 Buried
216 K F -2.9039 Soluble
217 P F -1.7873 Soluble
218 S F -1.9175 Soluble
219 N F -2.6677 Soluble
220 T F -2.2523 Soluble
221 K F -2.8153 Soluble
222 V F -1.5588 Soluble
223 D F -2.1461 Soluble
224 K F -1.8882 Soluble
225 R F -2.5696 Soluble
226 V F 0.0000 Buried
227 E F -2.4609 Soluble
228 P F -1.7493 Soluble
229 K F -2.8032 Soluble
1 E G -1.3423 Soluble
2 I G -0.2437 Soluble
3 V G 0.7693 Aggregation-prone
4 M G 0.0000 Buried
5 T G -0.6453 Soluble
6 Q G 0.0000 Buried
7 S G -0.6228 Soluble
8 P G -0.3710 Soluble
9 A G -0.3796 Soluble
10 T G -0.2775 Soluble
11 L G -0.2384 Soluble
12 S G -0.7529 Soluble
13 V G 0.0000 Buried
14 S G -1.6120 Soluble
15 P G -1.8852 Soluble
16 G G -1.8949 Soluble
17 E G -2.6367 Soluble
18 R G -2.7080 Soluble
19 A G 0.0000 Buried
20 T G -0.6713 Soluble
21 L G 0.0000 Buried
22 S G -0.8977 Soluble
23 C G 0.0000 Buried
24 R G -2.2268 Soluble
25 A G 0.0000 Buried
26 S G -0.8694 Soluble
27 Q G -1.6266 Soluble
28 S G -1.5990 Soluble
29 I G 0.0000 Buried
36 S G -1.2415 Soluble
37 N G -1.4720 Soluble
38 N G 0.0000 Buried
39 L G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G -0.8494 Soluble
45 K G -1.3097 Soluble
46 P G -1.1599 Soluble
47 G G -1.1770 Soluble
48 Q G -1.5312 Soluble
49 A G -1.1257 Soluble
50 P G 0.0000 Buried
51 R G -1.1548 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 K G -0.7576 Soluble
56 F G -0.5839 Soluble
57 A G 0.0000 Buried
65 S G -1.0491 Soluble
66 Q G -1.3922 Soluble
67 S G -0.7141 Soluble
68 I G -0.2178 Soluble
69 T G -0.0582 Soluble
70 G G -0.2562 Soluble
71 I G 0.0359 Aggregation-prone
72 P G -0.0689 Soluble
74 A G -0.1297 Soluble
75 R G -0.5506 Soluble
76 F G 0.0000 Buried
77 S G -0.5667 Soluble
78 G G -0.6137 Soluble
79 S G -0.8866 Soluble
80 G G -1.2839 Soluble
83 S G -1.3895 Soluble
84 G G -1.5210 Soluble
85 T G -2.0669 Soluble
86 E G -2.8493 Soluble
87 F G 0.0000 Buried
88 T G -0.8671 Soluble
89 L G 0.0000 Buried
90 T G -0.6083 Soluble
91 I G 0.0000 Buried
92 S G -1.4170 Soluble
93 S G -1.8111 Soluble
94 L G 0.0000 Buried
95 Q G -1.9674 Soluble
96 S G -1.6181 Soluble
97 E G -2.2730 Soluble
98 D G 0.0000 Buried
99 F G -0.8440 Soluble
100 A G 0.0000 Buried
101 V G -0.3465 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 G G 0.0000 Buried
108 N G -0.9136 Soluble
109 S G -0.6161 Soluble
114 W G -0.1689 Soluble
115 P G -0.7653 Soluble
116 Y G 0.0000 Buried
117 T G -0.2979 Soluble
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.4451 Soluble
121 G G 0.0000 Buried
122 T G 0.0000 Buried
123 K G -0.7743 Soluble
124 L G 0.0000 Buried
125 E G -0.9260 Soluble
126 I G -1.1488 Soluble
127 K G -1.7316 Soluble
128 R G -1.0576 Soluble
129 T G 0.1682 Aggregation-prone
130 V G 1.1607 Aggregation-prone
131 A G 0.5139 Aggregation-prone
132 A G 0.0599 Aggregation-prone
133 P G 0.0000 Buried
134 S G -0.1872 Soluble
135 V G 0.0000 Buried
136 F G -0.0202 Soluble
137 I G 0.0000 Buried
138 F G 0.0000 Buried
139 P G -0.5852 Soluble
140 P G 0.0000 Buried
141 S G -1.4178 Soluble
142 D G -2.6443 Soluble
143 E G -2.4755 Soluble
144 Q G 0.0000 Buried
145 L G -1.9932 Soluble
146 K G -2.5904 Soluble
147 S G -1.6030 Soluble
148 G G -1.0865 Soluble
149 T G -0.8537 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G 0.0000 Buried
158 N G -0.8013 Soluble
159 F G 0.0000 Buried
160 Y G 0.0000 Buried
161 P G -1.5234 Soluble
162 R G -2.8327 Soluble
163 E G -3.0607 Soluble
164 A G -2.1883 Soluble
165 K G -2.1555 Soluble
166 V G -0.9304 Soluble
167 Q G -0.4956 Soluble
168 W G 0.0000 Buried
169 K G -0.7888 Soluble
170 V G 0.0000 Buried
171 D G -1.7553 Soluble
172 N G -1.4979 Soluble
173 A G -0.5427 Soluble
174 L G 0.5623 Aggregation-prone
175 Q G -0.5119 Soluble
176 S G -0.8720 Soluble
177 G G -1.4314 Soluble
178 N G -1.8503 Soluble
179 S G -1.7148 Soluble
180 Q G -1.8119 Soluble
181 E G -2.0789 Soluble
182 S G -0.9429 Soluble
183 V G -0.9363 Soluble
184 T G -1.2208 Soluble
185 E G -2.3298 Soluble
186 Q G -2.0187 Soluble
187 D G -2.1207 Soluble
188 S G -2.0636 Soluble
189 K G -2.4209 Soluble
190 D G -1.9750 Soluble
191 S G -1.9111 Soluble
192 T G 0.0000 Buried
193 Y G -1.3965 Soluble
194 S G 0.0000 Buried
195 L G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -0.8915 Soluble
199 L G 0.0000 Buried
200 T G -0.5729 Soluble
201 L G -0.6761 Soluble
202 S G -1.0526 Soluble
203 K G -2.0151 Soluble
204 A G -1.9332 Soluble
205 D G -2.8776 Soluble
206 Y G 0.0000 Buried
207 E G -3.8191 Soluble
208 K G -3.6515 Soluble
209 H G -3.2511 Soluble
210 K G -3.1157 Soluble
211 V G -1.1286 Soluble
212 Y G 0.0000 Buried
213 A G 0.0000 Buried
214 C G 0.0000 Buried
215 E G -0.6490 Soluble
216 V G 0.0000 Buried
217 T G -1.0416 Soluble
218 H G 0.0000 Buried
219 Q G -1.4760 Soluble
220 G G -0.2813 Soluble
221 L G -0.1792 Soluble
222 S G -0.5663 Soluble
223 S G -0.4269 Soluble
224 P G -0.4594 Soluble
225 V G 0.0792 Aggregation-prone
226 T G -0.4723 Soluble
227 K G -0.7780 Soluble
228 S G -0.5875 Soluble
229 F G -1.3447 Soluble
230 N G -2.3104 Soluble
231 R G -2.8266 Soluble
232 G G -2.6061 Soluble
233 E G -3.1517 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 -0.7834 2.7181 CSV PDB
4.5 -0.8292 2.6682 CSV PDB
5.0 -0.8839 2.609 CSV PDB
5.5 -0.9362 2.5457 CSV PDB
6.0 -0.9729 2.4811 CSV PDB
6.5 -0.9834 2.416 CSV PDB
7.0 -0.9672 2.351 CSV PDB
7.5 -0.9337 2.2866 CSV PDB
8.0 -0.8914 2.2239 CSV PDB
8.5 -0.8434 2.1641 CSV PDB
9.0 -0.7906 2.1037 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH