Benufutamab / 6t3j

A4DAB041_6t3j_A_B | Source PDB: 6t3j | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7215
Max Score
1.8587
Min Score
-3.1211
Total Score
-310.97
Score CDR
-0.5133
Score non-CDR
-0.7458

Calculation Parameters

Chain Sequence(s) EVQLQQSGAEVVKPGASVKLSCKASGFNIKDTFIHWVKQAPGQGLEWIGRIDPANTNTKYDPKFQGKATITTDTSSNTAYMELSSLRSEDTAVYYCVRGLYTYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKEIVMTQSPATLSVSPGERATLSCRASQSISNNLHWYQQKPGQAPRLLIKFASQSITGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQGNSWPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) A (Heavy), B (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 -3.1211
Maximum Score 1.8587
Average Score -0.7215
Total Score -310.9652

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

Index Residue Chain A4D Score Classification
1 E A -2.1261 Soluble
2 V A -1.3367 Soluble
3 Q A -2.1045 Soluble
4 L A 0.0000 Buried
5 Q A -2.2950 Soluble
6 Q A -1.5618 Soluble
7 S A -1.0657 Soluble
8 G A -0.4749 Soluble
9 A A 0.1556 Aggregation-prone
11 E A -0.1844 Soluble
12 V A 0.4367 Aggregation-prone
13 V A -0.7620 Soluble
14 K A -2.0745 Soluble
15 P A -2.1967 Soluble
16 G A -1.5714 Soluble
17 A A -1.1519 Soluble
18 S A -1.4509 Soluble
19 V A 0.0000 Buried
20 K A -2.2678 Soluble
21 L A 0.0000 Buried
22 S A -1.1487 Soluble
23 C A 0.0000 Buried
24 K A -1.9076 Soluble
25 A A 0.0000 Buried
26 S A -1.5901 Soluble
27 G A -1.4347 Soluble
28 F A -1.3932 Soluble
29 N A -2.0053 Soluble
30 I A 0.0000 Buried
35 K A -2.6120 Soluble
36 D A -2.2222 Soluble
37 T A 0.0000 Buried
38 F A 0.2876 Aggregation-prone
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 K A 0.0000 Buried
44 Q A 0.0000 Buried
45 A A -0.8427 Soluble
46 P A -0.6666 Soluble
47 G A -1.2611 Soluble
48 Q A -1.9012 Soluble
49 G A -1.4940 Soluble
50 L A 0.0000 Buried
51 E A -1.1203 Soluble
52 W A 0.0000 Buried
53 I A 0.0000 Buried
54 G A 0.0000 Buried
55 R A -0.6660 Soluble
56 I A 0.0000 Buried
57 D A -1.6871 Soluble
58 P A 0.0000 Buried
59 A A -1.6664 Soluble
62 N A -2.0397 Soluble
63 T A -1.6531 Soluble
64 N A -2.0537 Soluble
65 T A -1.2908 Soluble
66 K A -1.1502 Soluble
67 Y A -0.9729 Soluble
68 D A -1.4534 Soluble
69 P A -1.8753 Soluble
70 K A -2.3370 Soluble
71 F A 0.0000 Buried
72 Q A -2.2361 Soluble
74 G A -1.5586 Soluble
75 K A -1.5440 Soluble
76 A A 0.0000 Buried
77 T A -1.0870 Soluble
78 I A 0.0000 Buried
79 T A -0.7507 Soluble
80 T A -1.0724 Soluble
81 D A -1.1733 Soluble
82 T A -1.1444 Soluble
83 S A -0.6689 Soluble
84 S A -0.8768 Soluble
85 N A -1.3132 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.7885 Soluble
89 M A 0.0000 Buried
90 E A -1.8482 Soluble
91 L A 0.0000 Buried
92 S A -1.3239 Soluble
93 S A -1.3022 Soluble
94 L A 0.0000 Buried
95 R A -3.1211 Soluble
96 S A -2.3397 Soluble
97 E A -2.5925 Soluble
98 D A 0.0000 Buried
99 T A -0.6203 Soluble
100 A A 0.0000 Buried
101 V A 0.5818 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 V A 0.0000 Buried
106 R A 0.0000 Buried
107 G A 0.0000 Buried
108 L A 1.7309 Aggregation-prone
109 Y A 1.8587 Aggregation-prone
110 T A 1.0744 Aggregation-prone
113 Y A 0.9504 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A 0.4320 Aggregation-prone
117 Y A 0.4196 Aggregation-prone
118 W A -0.3507 Soluble
119 G A 0.0000 Buried
120 Q A -1.6539 Soluble
121 G A -0.6489 Soluble
122 T A 0.0000 Buried
123 L A 1.2139 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2257 Soluble
126 V A 0.0000 Buried
127 S A -1.2332 Soluble
128 S A -1.0885 Soluble
129 A A -0.5194 Soluble
130 S A -0.5261 Soluble
131 T A -0.4959 Soluble
132 K A -1.0376 Soluble
133 G A -1.2704 Soluble
134 P A -0.6310 Soluble
135 S A -0.4746 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1906 Soluble
139 L A 0.0000 Buried
140 A A -1.2180 Soluble
141 P A -1.0106 Soluble
142 S A -1.1082 Soluble
143 S A -1.5951 Soluble
144 K A -1.9242 Soluble
145 S A -1.2259 Soluble
146 T A -1.0129 Soluble
147 S A -0.7127 Soluble
148 G A -0.8738 Soluble
149 G A -0.8155 Soluble
150 T A -0.5605 Soluble
151 A A -0.3774 Soluble
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.5770 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.9227 Soluble
164 P A -1.0711 Soluble
165 V A -0.6485 Soluble
166 T A -0.6550 Soluble
167 V A -0.2516 Soluble
168 S A -0.3996 Soluble
169 W A 0.0000 Buried
170 N A -0.7386 Soluble
171 S A -0.6536 Soluble
172 G A -0.4911 Soluble
173 A A -0.2084 Soluble
174 L A 0.0932 Aggregation-prone
175 T A -0.1059 Soluble
176 S A -0.2971 Soluble
177 G A -0.1048 Soluble
178 V A 0.2654 Aggregation-prone
179 H A 0.0000 Buried
180 T A 0.1147 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.3458 Soluble
183 A A 0.0836 Aggregation-prone
184 V A 0.4235 Aggregation-prone
185 L A 1.0004 Aggregation-prone
186 Q A 0.1474 Aggregation-prone
187 S A -0.1577 Soluble
188 S A -0.2518 Soluble
189 G A -0.0572 Soluble
190 L A -0.0395 Soluble
191 Y A 0.1878 Aggregation-prone
192 S A 0.1179 Aggregation-prone
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1772 Soluble
199 V A 0.0000 Buried
200 P A -0.4222 Soluble
201 S A -0.5249 Soluble
202 S A -0.5207 Soluble
203 S A -0.5288 Soluble
204 L A -0.7634 Soluble
205 G A -0.9856 Soluble
206 T A -0.6727 Soluble
207 Q A -1.1185 Soluble
208 T A -1.2144 Soluble
209 Y A 0.0000 Buried
210 I A -1.3318 Soluble
211 C A 0.0000 Buried
212 N A -1.5895 Soluble
213 V A 0.0000 Buried
214 N A -2.0381 Soluble
215 H A 0.0000 Buried
216 K A -2.8491 Soluble
217 P A -1.7073 Soluble
218 S A -1.7673 Soluble
219 N A -2.5497 Soluble
220 T A -2.0886 Soluble
221 K A -2.8131 Soluble
222 V A -1.8324 Soluble
223 D A -2.7082 Soluble
224 K A -2.1025 Soluble
225 R A -2.7580 Soluble
226 V A 0.0000 Buried
227 E A -2.8203 Soluble
228 P A -1.9675 Soluble
229 K A -2.2791 Soluble
1 E B -1.3146 Soluble
2 I B -0.2034 Soluble
3 V B 0.8091 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.5769 Soluble
6 Q B 0.0000 Buried
7 S B -0.5965 Soluble
8 P B -0.3661 Soluble
9 A B -0.3510 Soluble
10 T B -0.2269 Soluble
11 L B -0.2124 Soluble
12 S B -0.7152 Soluble
13 V B 0.0000 Buried
14 S B -1.5401 Soluble
15 P B -1.7536 Soluble
16 G B -1.8087 Soluble
17 E B -2.5367 Soluble
18 R B -2.6648 Soluble
19 A B 0.0000 Buried
20 T B -0.6733 Soluble
21 L B 0.0000 Buried
22 S B -0.8695 Soluble
23 C B 0.0000 Buried
24 R B -2.0108 Soluble
25 A B 0.0000 Buried
26 S B -0.8065 Soluble
27 Q B -1.5804 Soluble
28 S B -1.5683 Soluble
29 I B 0.0000 Buried
36 S B -1.2469 Soluble
37 N B -1.3313 Soluble
38 N B 0.0000 Buried
39 L B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.3765 Soluble
46 P B -1.2700 Soluble
47 G B -1.4080 Soluble
48 Q B -1.9148 Soluble
49 A B -1.2357 Soluble
50 P B 0.0000 Buried
51 R B -0.9437 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 K B -0.7783 Soluble
56 F B -0.6161 Soluble
57 A B 0.0000 Buried
65 S B -1.1300 Soluble
66 Q B -1.5229 Soluble
67 S B -0.8118 Soluble
68 I B -0.2965 Soluble
69 T B -0.2340 Soluble
70 G B -0.3300 Soluble
71 I B -0.1149 Soluble
72 P B -0.1726 Soluble
74 A B -0.2032 Soluble
75 R B -0.6226 Soluble
76 F B 0.0000 Buried
77 S B -0.6078 Soluble
78 G B -0.6637 Soluble
79 S B -0.9402 Soluble
80 G B -1.2755 Soluble
83 S B -1.3805 Soluble
84 G B -1.4999 Soluble
85 T B -2.0005 Soluble
86 E B -2.6827 Soluble
87 F B 0.0000 Buried
88 T B -0.8474 Soluble
89 L B 0.0000 Buried
90 T B -0.6185 Soluble
91 I B 0.0000 Buried
92 S B -1.3808 Soluble
93 S B -1.7038 Soluble
94 L B 0.0000 Buried
95 Q B -1.8317 Soluble
96 S B -1.5314 Soluble
97 E B -2.2333 Soluble
98 D B 0.0000 Buried
99 F B -0.7135 Soluble
100 A B 0.0000 Buried
101 V B -0.2729 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 G B 0.0000 Buried
108 N B -0.8561 Soluble
109 S B -0.4061 Soluble
114 W B -0.0568 Soluble
115 P B -0.7053 Soluble
116 Y B 0.0000 Buried
117 T B -0.2967 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.4464 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -0.6518 Soluble
124 L B 0.0000 Buried
125 E B -0.8005 Soluble
126 I B -0.9674 Soluble
127 K B -1.7455 Soluble
128 R B -1.0888 Soluble
129 T B -0.1063 Soluble
130 V B 0.5472 Aggregation-prone
131 A B 0.1991 Aggregation-prone
132 A B -0.0759 Soluble
133 P B 0.0000 Buried
134 S B -0.2834 Soluble
135 V B 0.0000 Buried
136 F B 0.0295 Aggregation-prone
137 I B 0.0168 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5371 Soluble
140 P B 0.0000 Buried
141 S B -1.6538 Soluble
142 D B -2.7013 Soluble
143 E B -2.5615 Soluble
144 Q B 0.0000 Buried
145 L B -2.0221 Soluble
146 K B -2.6619 Soluble
147 S B -1.6716 Soluble
148 G B -1.2016 Soluble
149 T B -0.9108 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.7028 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4108 Soluble
162 R B -2.3323 Soluble
163 E B -2.8515 Soluble
164 A B -2.2327 Soluble
165 K B -2.4714 Soluble
166 V B 0.0000 Buried
167 Q B -0.5967 Soluble
168 W B 0.0000 Buried
169 K B -0.6082 Soluble
170 V B 0.0000 Buried
171 D B -1.8194 Soluble
172 N B -1.4604 Soluble
173 A B -0.4245 Soluble
174 L B 0.7286 Aggregation-prone
175 Q B -0.1038 Soluble
176 S B -0.4988 Soluble
177 G B -0.9664 Soluble
178 N B -0.9167 Soluble
179 S B -1.1547 Soluble
180 Q B -1.3929 Soluble
181 E B -1.6709 Soluble
182 S B -0.6017 Soluble
183 V B -0.4022 Soluble
184 T B -0.8539 Soluble
185 E B -1.9224 Soluble
186 Q B -1.6088 Soluble
187 D B -1.7172 Soluble
188 S B -1.7858 Soluble
189 K B -2.1737 Soluble
190 D B -1.5486 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.6418 Soluble
199 L B 0.0000 Buried
200 T B -0.3585 Soluble
201 L B -0.3936 Soluble
202 S B -0.9355 Soluble
203 K B -2.0146 Soluble
204 A B -1.5514 Soluble
205 D B -2.0402 Soluble
206 Y B 0.0000 Buried
207 E B -2.8298 Soluble
208 K B -3.0154 Soluble
209 H B -2.6875 Soluble
210 K B -3.0243 Soluble
211 V B -1.3891 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7357 Soluble
216 V B 0.0000 Buried
217 T B -1.2114 Soluble
218 H B -1.4862 Soluble
219 Q B -1.7239 Soluble
220 G B -0.4676 Soluble
221 L B -0.1961 Soluble
222 S B -0.5482 Soluble
223 S B -0.4304 Soluble
224 P B -0.5277 Soluble
225 V B 0.0976 Aggregation-prone
226 T B -0.4933 Soluble
227 K B -0.8572 Soluble
228 S B -0.6718 Soluble
229 F B -1.1726 Soluble
230 N B -1.9948 Soluble
231 R B -2.1620 Soluble
232 G B -1.3299 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 -0.7384 2.5248 CSV PDB
4.5 -0.7769 2.4446 CSV PDB
5.0 -0.8235 2.3474 CSV PDB
5.5 -0.8679 2.2903 CSV PDB
6.0 -0.8982 2.2317 CSV PDB
6.5 -0.9047 2.1728 CSV PDB
7.0 -0.886 2.1144 CSV PDB
7.5 -0.8498 2.0576 CSV PDB
8.0 -0.8045 2.0037 CSV PDB
8.5 -0.7537 1.9527 CSV PDB
9.0 -0.6986 1.9005 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH