Bentracimab / 5alb

A4DAB040_5alb_H_L | Source PDB: 5alb | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6575
Max Score
2.6789
Min Score
-3.2405
Total Score
-288.0
Score CDR
-0.2849
Score non-CDR
-0.7167

Calculation Parameters

Chain Sequence(s) VQLQESGAEVKKPGSSVRVSCKASGGTFDSYSIHWVRQAPGQGLEWMGGIIPAFGTLSSAQDFQARVTISADKSTSTAYMELSGLRSEDTAVYYCARGSFDYYFWSASHPPNDALAIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPVVTQPPSVSAAPGQKVTISCSGSNSDIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLAITGLQAGDEADYYCGTWLYDRAVGLFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.2405
Maximum Score 2.6789
Average Score -0.6575
Total Score -287.9988

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

Index Residue Chain A4D Score Classification
2 V H 0.8525 Aggregation-prone
3 Q H -1.0829 Soluble
4 L H 0.0000 Buried
5 Q H -2.0593 Soluble
6 E H -1.5208 Soluble
7 S H -1.3006 Soluble
8 G H -1.1797 Soluble
9 A H -1.0671 Soluble
11 E H -1.6006 Soluble
12 V H -0.9496 Soluble
13 K H -1.8267 Soluble
14 K H -2.6098 Soluble
15 P H -2.2644 Soluble
16 G H -1.7073 Soluble
17 S H -1.3865 Soluble
18 S H -1.5154 Soluble
19 V H 0.0000 Buried
20 R H -2.1816 Soluble
21 V H 0.0000 Buried
22 S H -1.1001 Soluble
23 C H 0.0000 Buried
24 K H -1.8106 Soluble
25 A H 0.0000 Buried
26 S H -0.8397 Soluble
27 G H -0.3516 Soluble
28 G H -0.6599 Soluble
29 T H -1.1495 Soluble
30 F H 0.0000 Buried
35 D H -1.9643 Soluble
36 S H 0.0261 Aggregation-prone
37 Y H -0.1242 Soluble
38 S H 0.0000 Buried
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.5672 Soluble
44 Q H -0.7826 Soluble
45 A H -1.0819 Soluble
46 P H -0.8569 Soluble
47 G H -1.2304 Soluble
48 Q H -1.8152 Soluble
49 G H -1.3027 Soluble
50 L H 0.0000 Buried
51 E H -0.8460 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 I H 0.6116 Aggregation-prone
58 P H 0.0000 Buried
59 A H -0.1512 Soluble
62 F H 1.3328 Aggregation-prone
63 G H 0.2282 Aggregation-prone
64 T H 0.9602 Aggregation-prone
65 L H 1.6011 Aggregation-prone
66 S H 0.1586 Aggregation-prone
67 S H 0.0000 Buried
68 A H -1.6843 Soluble
69 Q H -2.5085 Soluble
70 D H -2.7500 Soluble
71 F H 0.0000 Buried
72 Q H -2.2319 Soluble
74 A H -1.2699 Soluble
75 R H -1.4556 Soluble
76 V H 0.0000 Buried
77 T H -0.6989 Soluble
78 I H 0.0000 Buried
79 S H -0.3889 Soluble
80 A H -0.8668 Soluble
81 D H -2.1922 Soluble
82 K H -2.5667 Soluble
83 S H -1.6051 Soluble
84 T H -1.1912 Soluble
85 S H 0.0000 Buried
86 T H -1.3343 Soluble
87 A H 0.0000 Buried
88 Y H -0.8468 Soluble
89 M H 0.0000 Buried
90 E H -1.6754 Soluble
91 L H 0.0000 Buried
92 S H -1.2310 Soluble
93 G H -1.3778 Soluble
94 L H 0.0000 Buried
95 R H -3.1624 Soluble
96 S H -2.3497 Soluble
97 E H -2.5487 Soluble
98 D H 0.0000 Buried
99 T H -1.0177 Soluble
100 A H 0.0000 Buried
101 V H 0.1351 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0378 Aggregation-prone
107 G H 0.0000 Buried
108 S H -0.2324 Soluble
109 F H 0.3211 Aggregation-prone
110 D H 0.3633 Aggregation-prone
111 Y H 1.3536 Aggregation-prone
111A Y H 2.2087 Aggregation-prone
111B F H 2.6789 Aggregation-prone
111C W H 1.4636 Aggregation-prone
111D S H 0.2930 Aggregation-prone
112E A H -0.1282 Soluble
112D S H -0.6890 Soluble
112C H H -1.1441 Soluble
112B P H -0.8550 Soluble
112A P H -0.4010 Soluble
112 N H -1.0733 Soluble
113 D H -0.5701 Soluble
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 A H -0.0628 Soluble
117 I H 0.2893 Aggregation-prone
118 W H -0.4123 Soluble
119 G H 0.0000 Buried
120 Q H -1.5959 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H -0.1722 Soluble
124 V H 0.0000 Buried
125 T H -1.0000 Soluble
126 V H 0.0000 Buried
127 S H -1.4171 Soluble
128 S H -1.2002 Soluble
129 A H -0.6146 Soluble
130 S H -0.7687 Soluble
131 T H -0.8720 Soluble
132 K H -1.2798 Soluble
133 G H -1.4753 Soluble
134 P H -0.7315 Soluble
135 S H -0.3100 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0069 Soluble
139 L H 0.0000 Buried
140 A H -0.7880 Soluble
141 P H 0.0000 Buried
142 S H -0.4995 Soluble
143 S H -0.7439 Soluble
144 K H -1.0685 Soluble
145 S H -0.6519 Soluble
146 T H -0.7495 Soluble
147 S H -0.8046 Soluble
148 G H -0.9654 Soluble
149 G H -0.9574 Soluble
150 T H -0.7051 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 -0.3574 Soluble
160 Y H 0.0000 Buried
161 F H -0.3916 Soluble
162 P H 0.0000 Buried
163 E H -0.4568 Soluble
164 P H -0.7686 Soluble
165 V H 0.0000 Buried
166 T H -0.8514 Soluble
167 V H 0.0000 Buried
168 S H -0.4644 Soluble
169 W H 0.0000 Buried
170 N H -0.6463 Soluble
171 S H -0.5880 Soluble
172 G H -0.4951 Soluble
173 A H -0.1813 Soluble
174 L H 0.0797 Aggregation-prone
175 T H -0.1393 Soluble
176 S H -0.2014 Soluble
177 G H -0.2487 Soluble
178 V H 0.1661 Aggregation-prone
179 H H -0.1409 Soluble
180 T H -0.0838 Soluble
181 F H 0.0000 Buried
182 P H -0.1044 Soluble
183 A H 0.1959 Aggregation-prone
184 V H 0.0000 Buried
185 L H 0.7975 Aggregation-prone
186 Q H -0.0424 Soluble
187 S H -0.3316 Soluble
188 S H -0.2563 Soluble
189 G H -0.0374 Soluble
190 L H 0.0762 Aggregation-prone
191 Y H 0.3358 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 -0.2692 Soluble
199 V H 0.0000 Buried
200 P H -0.6475 Soluble
201 S H -0.6058 Soluble
202 S H -0.6113 Soluble
203 S H -0.5827 Soluble
204 L H -0.8106 Soluble
205 G H -1.0230 Soluble
206 T H -0.7096 Soluble
207 Q H -1.2404 Soluble
208 T H -1.2156 Soluble
209 Y H 0.0000 Buried
210 I H -1.1019 Soluble
211 C H 0.0000 Buried
212 N H -1.4843 Soluble
213 V H 0.0000 Buried
214 N H -2.3058 Soluble
215 H H 0.0000 Buried
216 K H -2.6629 Soluble
217 P H -1.8173 Soluble
218 S H -1.9233 Soluble
219 N H -2.4943 Soluble
220 T H -2.2293 Soluble
221 K H -2.7226 Soluble
222 V H -1.4651 Soluble
223 D H -2.0567 Soluble
224 K H -1.8358 Soluble
225 R H -2.5167 Soluble
226 V H 0.0000 Buried
227 E H -2.5345 Soluble
228 P H -1.1818 Soluble
3 V L 1.7461 Aggregation-prone
4 V L 0.0000 Buried
5 T L 0.0927 Aggregation-prone
6 Q L 0.0000 Buried
7 P L -0.6023 Soluble
8 P L -0.9339 Soluble
9 S L -0.9529 Soluble
11 V L -0.4754 Soluble
12 S L -0.2971 Soluble
13 A L -0.4831 Soluble
14 A L -0.6455 Soluble
15 P L -1.2238 Soluble
16 G L -1.7140 Soluble
17 Q L -2.4346 Soluble
18 K L -2.4928 Soluble
19 V L 0.0000 Buried
20 T L -0.4593 Soluble
21 I L 0.0000 Buried
22 S L -0.3006 Soluble
23 C L 0.0000 Buried
24 S L -0.2500 Soluble
25 G L -0.3397 Soluble
26 S L -0.9506 Soluble
27 N L -2.0110 Soluble
28 S L -1.6959 Soluble
29 D L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.7348 Soluble
36 N L -1.9828 Soluble
37 N L -1.1707 Soluble
38 Y L -0.4310 Soluble
39 V L 0.0000 Buried
40 S L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 L L -0.4544 Soluble
46 P L -0.5588 Soluble
47 G L -0.7452 Soluble
48 T L -0.6037 Soluble
49 A L -0.5872 Soluble
50 P L 0.0000 Buried
51 K L -0.9184 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.1825 Soluble
56 D L -1.5641 Soluble
57 N L -1.6303 Soluble
65 N L -2.4126 Soluble
66 K L -2.5580 Soluble
67 R L -2.0211 Soluble
68 P L -0.7851 Soluble
69 S L -0.5418 Soluble
70 G L -0.7879 Soluble
71 I L -0.8627 Soluble
72 P L -1.2693 Soluble
74 D L -2.1654 Soluble
75 R L -1.6277 Soluble
76 F L 0.0000 Buried
77 S L -1.3874 Soluble
78 G L -1.3004 Soluble
79 S L -1.2055 Soluble
80 K L -1.1289 Soluble
83 S L -0.8046 Soluble
84 G L -1.3268 Soluble
85 T L -1.2628 Soluble
86 S L -0.8202 Soluble
87 A L 0.0000 Buried
88 T L -0.5578 Soluble
89 L L 0.0000 Buried
90 A L -0.5632 Soluble
91 I L 0.0000 Buried
92 T L -1.8215 Soluble
93 G L -1.5783 Soluble
94 L L 0.0000 Buried
95 Q L -1.6118 Soluble
96 A L -0.8799 Soluble
97 G L -0.9451 Soluble
98 D L 0.0000 Buried
99 E L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -1.0915 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 G L 0.0000 Buried
106 T L 0.0000 Buried
107 W L -0.0964 Soluble
108 L L 0.0000 Buried
109 Y L -1.2861 Soluble
110 D L -2.6634 Soluble
113 R L -2.5697 Soluble
114 A L -0.9876 Soluble
115 V L 0.0000 Buried
116 G L 0.0000 Buried
117 L L 0.9278 Aggregation-prone
118 F L 0.5415 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.4783 Soluble
121 G L -1.0642 Soluble
122 T L 0.0000 Buried
123 K L -1.9420 Soluble
124 V L 0.0000 Buried
125 T L -0.3583 Soluble
126 V L 0.0000 Buried
127 L L 0.6138 Aggregation-prone
128 G L -0.3950 Soluble
129 Q L -0.7186 Soluble
130 P L -1.1966 Soluble
131 K L -2.2821 Soluble
132 A L -1.3394 Soluble
133 A L -0.7430 Soluble
134 P L 0.0000 Buried
135 S L -0.2764 Soluble
136 V L -0.3272 Soluble
137 T L -0.3467 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.2177 Soluble
141 P L 0.0000 Buried
142 S L -0.7767 Soluble
143 S L -1.3334 Soluble
144 E L -2.0709 Soluble
145 E L 0.0000 Buried
146 L L -1.6936 Soluble
147 Q L -2.1421 Soluble
148 A L -1.5631 Soluble
149 N L -2.2915 Soluble
150 K L -1.8004 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L -0.6138 Soluble
159 D L -1.4303 Soluble
160 F L 0.0000 Buried
161 Y L -1.1511 Soluble
162 P L -0.9529 Soluble
163 G L -0.5304 Soluble
164 A L -0.1770 Soluble
165 V L -0.0978 Soluble
166 T L -0.0936 Soluble
167 V L 0.0746 Aggregation-prone
168 A L -0.4466 Soluble
169 W L 0.0000 Buried
170 K L -0.9302 Soluble
171 A L 0.0000 Buried
172 D L -1.2632 Soluble
173 S L -0.8580 Soluble
174 S L -0.7434 Soluble
175 P L -0.8671 Soluble
176 V L -0.8983 Soluble
177 K L -1.7931 Soluble
178 A L -0.9707 Soluble
179 G L -0.9245 Soluble
180 V L -0.7964 Soluble
181 E L -0.9255 Soluble
182 T L -0.2519 Soluble
183 T L -0.1155 Soluble
184 T L -0.1812 Soluble
185 P L -0.2788 Soluble
186 S L -0.5040 Soluble
187 K L -1.1111 Soluble
188 Q L -1.1467 Soluble
189 S L -1.0168 Soluble
190 N L -1.4730 Soluble
191 N L -1.2067 Soluble
192 K L -1.4568 Soluble
193 Y L -0.7531 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.6190 Soluble
201 L L 0.0000 Buried
202 T L -1.6766 Soluble
203 P L -2.3286 Soluble
204 E L -3.1358 Soluble
205 Q L -2.6134 Soluble
206 W L 0.0000 Buried
207 K L -3.2405 Soluble
208 S L -2.4947 Soluble
209 H L -2.4253 Soluble
210 R L -2.6565 Soluble
211 S L -1.5610 Soluble
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -0.7489 Soluble
216 V L 0.0000 Buried
217 T L -0.6321 Soluble
218 H L 0.0000 Buried
219 E L -2.2983 Soluble
220 G L -1.4463 Soluble
221 S L -0.8959 Soluble
222 T L -0.7108 Soluble
223 V L -0.3736 Soluble
224 E L -1.5703 Soluble
225 K L -1.3047 Soluble
226 T L -0.8962 Soluble
227 V L 0.0000 Buried
228 A L -1.0056 Soluble
229 P L -1.2429 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 -0.564 5.5007 CSV PDB
4.5 -0.5984 5.4677 CSV PDB
5.0 -0.6378 5.4309 CSV PDB
5.5 -0.6735 5.3928 CSV PDB
6.0 -0.6962 5.3542 CSV PDB
6.5 -0.6992 5.3155 CSV PDB
7.0 -0.6837 5.277 CSV PDB
7.5 -0.6567 5.2391 CSV PDB
8.0 -0.6235 5.2029 CSV PDB
8.5 -0.5856 5.1711 CSV PDB
9.0 -0.5427 5.1461 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH