Bentracimab / 5alc

A4DAB040_5alc_H_L | Source PDB: 5alc | Chains: H, L | Done
96.23
Yes
10 Å
Yes
Avg A4D Score
-0.6016
Max Score
2.094
Min Score
-3.0874
Total Score
-256.26
Score CDR
-0.1686
Score non-CDR
-0.7143

Calculation Parameters

Chain Sequence(s) VQLQESGAEVKKPGSSVRVSCKASGGTFDSYSIHWVRQAPGQGLEWMGGIIPAFGTLSSAQDFQARVTISADKSTSTAYMELSGLRSEDTAVYYCARGSHLYPNDALAIWGQGTLVTVSSASTKGPSVFPLAPSSKSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPVVTQPPSVSAAPGQKVTISCSGSNSDIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLAITGLQAGDEADYYCGTWDISLSAGLFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.0874
Maximum Score 2.094
Average Score -0.6016
Total Score -256.2637

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

Index Residue Chain A4D Score Classification
2 V H 1.0094 Aggregation-prone
3 Q H -0.9680 Soluble
4 L H 0.0000 Buried
5 Q H -1.9402 Soluble
6 E H -1.3259 Soluble
7 S H -0.9429 Soluble
8 G H -0.9824 Soluble
9 A H -0.9073 Soluble
11 E H -1.3265 Soluble
12 V H -0.9310 Soluble
13 K H -1.7718 Soluble
14 K H -2.5031 Soluble
15 P H -2.2713 Soluble
16 G H -1.6245 Soluble
17 S H -1.2356 Soluble
18 S H -1.3205 Soluble
19 V H -1.1907 Soluble
20 R H -2.0300 Soluble
21 V H 0.0000 Buried
22 S H -0.8985 Soluble
23 C H 0.0000 Buried
24 K H -1.7112 Soluble
25 A H -1.0521 Soluble
26 S H -0.9558 Soluble
27 G H -0.8935 Soluble
28 G H -1.2497 Soluble
29 T H -1.3402 Soluble
30 F H 0.0000 Buried
35 D H -1.4753 Soluble
36 S H 0.3239 Aggregation-prone
37 Y H 0.4206 Aggregation-prone
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 -0.5066 Soluble
44 Q H -0.7523 Soluble
45 A H -1.0835 Soluble
46 P H -0.8479 Soluble
47 G H -1.2769 Soluble
48 Q H -1.7900 Soluble
49 G H -1.3155 Soluble
50 L H 0.0000 Buried
51 E H -0.7964 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 1.0905 Aggregation-prone
58 P H 0.0000 Buried
59 A H 0.3582 Aggregation-prone
62 F H 2.0940 Aggregation-prone
63 G H 0.8644 Aggregation-prone
64 T H 1.1177 Aggregation-prone
65 L H 1.5627 Aggregation-prone
66 S H 0.5384 Aggregation-prone
67 S H -0.4438 Soluble
68 A H -1.1609 Soluble
69 Q H -1.7896 Soluble
70 D H -2.4693 Soluble
71 F H 0.0000 Buried
72 Q H -2.0118 Soluble
74 A H -1.0859 Soluble
75 R H -1.1824 Soluble
76 V H 0.0000 Buried
77 T H -0.6487 Soluble
78 I H 0.0000 Buried
79 S H -0.3585 Soluble
80 A H -0.8062 Soluble
81 D H -1.6587 Soluble
82 K H -2.2277 Soluble
83 S H -1.3340 Soluble
84 T H -1.1870 Soluble
85 S H 0.0000 Buried
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7076 Soluble
89 M H 0.0000 Buried
90 E H -1.4816 Soluble
91 L H 0.0000 Buried
92 S H -0.9983 Soluble
93 G H -1.1092 Soluble
94 L H 0.0000 Buried
95 R H -3.0874 Soluble
96 S H -2.3747 Soluble
97 E H -2.5538 Soluble
98 D H 0.0000 Buried
99 T H -1.0071 Soluble
100 A H 0.0000 Buried
101 V H 0.1042 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 -0.0622 Soluble
107 G H 0.0000 Buried
108 S H 0.1123 Aggregation-prone
109 H H 0.3640 Aggregation-prone
110 L H 1.3868 Aggregation-prone
111 Y H 1.4035 Aggregation-prone
112A P H -0.0217 Soluble
112 N H -0.5092 Soluble
113 D H -0.3113 Soluble
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 A H 0.0301 Aggregation-prone
117 I H 0.1475 Aggregation-prone
118 W H -0.4922 Soluble
119 G H 0.0000 Buried
120 Q H -1.5107 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H -0.2321 Soluble
124 V H 0.0000 Buried
125 T H -0.9823 Soluble
126 V H 0.0000 Buried
127 S H -1.1839 Soluble
128 S H -0.9776 Soluble
129 A H -0.5801 Soluble
130 S H -0.7026 Soluble
131 T H -0.8192 Soluble
132 K H -1.2219 Soluble
133 G H -1.3293 Soluble
134 P H -0.7171 Soluble
135 S H -0.3310 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9137 Soluble
139 L H 0.0000 Buried
140 A H -0.8331 Soluble
141 P H 0.0000 Buried
142 S H -0.9190 Soluble
143 S H -0.9635 Soluble
144 K H -1.5177 Soluble
145 S H -0.8210 Soluble
146 T H -0.2823 Soluble
147 A H 0.0000 Buried
148 A H -0.3137 Soluble
149 L H 0.0000 Buried
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.3865 Soluble
156 Y H 0.0000 Buried
157 F H -0.3566 Soluble
158 P H 0.0000 Buried
159 E H -0.3219 Soluble
160 P H -0.5743 Soluble
161 V H 0.0000 Buried
162 T H -0.6957 Soluble
163 V H 0.0000 Buried
164 S H -0.5182 Soluble
165 W H 0.0000 Buried
166 N H -0.6872 Soluble
167 S H -0.6866 Soluble
168 G H -0.6132 Soluble
169 A H -0.2660 Soluble
170 L H -0.0401 Soluble
171 T H -0.2316 Soluble
172 S H -0.3153 Soluble
173 G H -0.5413 Soluble
174 V H 0.0466 Aggregation-prone
175 H H -0.2380 Soluble
176 T H -0.0679 Soluble
177 F H 0.0000 Buried
178 P H -0.1125 Soluble
179 A H 0.1598 Aggregation-prone
180 V H 0.0000 Buried
181 L H 0.9442 Aggregation-prone
182 Q H 0.0702 Aggregation-prone
183 S H -0.2853 Soluble
184 S H -0.2681 Soluble
185 G H -0.0490 Soluble
186 L H 0.0443 Aggregation-prone
187 Y H 0.3365 Aggregation-prone
188 S H 0.0000 Buried
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.2668 Soluble
195 V H 0.0000 Buried
196 P H -0.4126 Soluble
197 S H -0.5069 Soluble
198 S H -0.5643 Soluble
199 S H 0.0000 Buried
200 L H -0.7311 Soluble
201 G H -0.9166 Soluble
202 T H -0.6901 Soluble
203 Q H -1.1417 Soluble
204 T H -1.0134 Soluble
205 Y H 0.0000 Buried
206 I H -0.8850 Soluble
207 C H 0.0000 Buried
208 N H -1.5789 Soluble
209 V H 0.0000 Buried
210 N H -2.0672 Soluble
211 H H 0.0000 Buried
212 K H -2.0278 Soluble
213 P H 0.0000 Buried
214 S H -1.6788 Soluble
215 N H -2.2485 Soluble
216 T H -1.9106 Soluble
217 K H -2.6944 Soluble
218 V H -1.6548 Soluble
219 D H -2.4942 Soluble
220 K H -1.9713 Soluble
221 R H -2.2396 Soluble
222 V H 0.0000 Buried
223 E H -2.3670 Soluble
224 P H -1.1818 Soluble
3 V L 1.7140 Aggregation-prone
4 V L 0.0000 Buried
5 T L 0.1231 Aggregation-prone
6 Q L 0.0000 Buried
7 P L -0.6098 Soluble
8 P L -0.9812 Soluble
9 S L -1.0176 Soluble
11 V L -0.3949 Soluble
12 S L -0.4433 Soluble
13 A L 0.0000 Buried
14 A L -0.6734 Soluble
15 P L -1.2170 Soluble
16 G L -1.7188 Soluble
17 Q L -2.3142 Soluble
18 K L -2.4321 Soluble
19 V L 0.0000 Buried
20 T L -0.4831 Soluble
21 I L 0.0000 Buried
22 S L -0.3265 Soluble
23 C L 0.0000 Buried
24 S L -0.1508 Soluble
25 G L -0.1604 Soluble
26 S L -0.8745 Soluble
27 N L -1.9727 Soluble
28 S L -0.7099 Soluble
29 D L 0.0000 Buried
30 I L 0.0000 Buried
35 G L -1.6774 Soluble
36 N L -1.4462 Soluble
37 N L 0.0000 Buried
38 Y L -0.3360 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 -0.2879 Soluble
46 P L -0.4124 Soluble
47 G L -0.5835 Soluble
48 T L -0.5452 Soluble
49 A L -0.5980 Soluble
50 P L 0.0000 Buried
51 K L -0.8859 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8843 Soluble
56 D L -1.2302 Soluble
57 N L -1.4135 Soluble
65 N L -2.1916 Soluble
66 K L -2.1333 Soluble
67 R L -1.9311 Soluble
68 P L -0.9187 Soluble
69 S L -0.8903 Soluble
70 G L -0.8517 Soluble
71 I L -1.0592 Soluble
72 P L -1.2989 Soluble
74 D L -2.2251 Soluble
75 R L -1.5284 Soluble
76 F L 0.0000 Buried
77 S L -1.3338 Soluble
78 G L -1.2412 Soluble
79 S L -1.1743 Soluble
80 K L -1.0705 Soluble
83 S L -0.7931 Soluble
84 G L -1.2377 Soluble
85 T L -1.1852 Soluble
86 S L -0.7637 Soluble
87 A L 0.0000 Buried
88 T L -0.5575 Soluble
89 L L 0.0000 Buried
90 A L -0.5520 Soluble
91 I L 0.0000 Buried
92 T L -1.7522 Soluble
93 G L -1.5671 Soluble
94 L L 0.0000 Buried
95 Q L -1.5186 Soluble
96 A L -0.8911 Soluble
97 G L -0.8084 Soluble
98 D L 0.0000 Buried
99 E L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -1.4916 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 0.7875 Aggregation-prone
108 D L 0.0000 Buried
109 I L 2.0821 Aggregation-prone
110 S L 1.3177 Aggregation-prone
113 L L 1.6442 Aggregation-prone
114 S L 1.4136 Aggregation-prone
115 A L 0.0000 Buried
116 G L 0.5642 Aggregation-prone
117 L L 0.5663 Aggregation-prone
118 F L 0.3658 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.7903 Soluble
121 G L -1.1672 Soluble
122 T L 0.0000 Buried
123 K L -2.0475 Soluble
124 V L 0.0000 Buried
125 T L -0.4660 Soluble
126 V L 0.0000 Buried
127 L L 0.6737 Aggregation-prone
128 G L -0.3237 Soluble
129 Q L 0.0000 Buried
130 P L -1.1171 Soluble
131 K L -2.2642 Soluble
132 A L -1.3760 Soluble
133 A L -0.8091 Soluble
134 P L 0.0000 Buried
135 S L -0.6632 Soluble
136 V L 0.0000 Buried
137 T L -0.6346 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.2779 Soluble
141 P L -0.3370 Soluble
142 S L -0.6972 Soluble
143 S L -1.1891 Soluble
144 E L -1.8720 Soluble
145 E L 0.0000 Buried
146 L L -1.2779 Soluble
147 Q L -1.9977 Soluble
148 A L -1.5483 Soluble
149 N L -2.1035 Soluble
150 K L -1.7347 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 -0.7980 Soluble
159 D L -1.7827 Soluble
160 F L 0.0000 Buried
161 Y L -1.2508 Soluble
162 P L -0.8925 Soluble
163 G L -0.6886 Soluble
164 A L -0.1864 Soluble
165 V L -0.0868 Soluble
166 T L -0.1091 Soluble
167 V L 0.0217 Aggregation-prone
168 A L -0.4776 Soluble
169 W L 0.0000 Buried
170 K L -1.1675 Soluble
171 A L 0.0000 Buried
172 D L -2.0839 Soluble
173 S L -1.2550 Soluble
174 S L -1.0532 Soluble
175 P L -1.0035 Soluble
176 V L -1.0286 Soluble
177 K L -1.7529 Soluble
178 A L -0.9014 Soluble
179 G L -0.7974 Soluble
180 V L -0.5505 Soluble
181 E L -0.5334 Soluble
182 T L -0.0719 Soluble
183 T L 0.0000 Buried
184 T L -0.0976 Soluble
185 P L -0.2254 Soluble
186 S L -0.5768 Soluble
187 K L -1.2083 Soluble
188 Q L -1.3081 Soluble
189 S L -1.1828 Soluble
190 N L -1.8713 Soluble
191 N L -1.6956 Soluble
192 K L -1.8584 Soluble
193 Y L -0.9880 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 -0.4278 Soluble
201 L L 0.0000 Buried
202 T L -1.3798 Soluble
203 P L -1.9486 Soluble
204 E L -2.6031 Soluble
205 Q L -1.8455 Soluble
206 W L -1.7727 Soluble
207 K L -2.7007 Soluble
208 S L -2.1099 Soluble
209 H L -2.2746 Soluble
210 R L -2.5910 Soluble
211 S L -1.5620 Soluble
212 Y L 0.0000 Buried
213 S L -1.1250 Soluble
214 C L 0.0000 Buried
215 Q L -0.9775 Soluble
216 V L 0.0000 Buried
217 T L -0.7147 Soluble
218 H L 0.0000 Buried
219 E L -2.2783 Soluble
220 G L -1.4412 Soluble
221 S L -0.9068 Soluble
222 T L -0.7703 Soluble
223 V L -0.6690 Soluble
224 E L -1.9878 Soluble
225 K L -1.4670 Soluble
226 T L -1.1725 Soluble
227 V L 0.0000 Buried
228 A L -0.8214 Soluble
229 P L -0.6466 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 -0.5095 4.8351 CSV PDB
4.5 -0.5426 4.8351 CSV PDB
5.0 -0.5812 4.8351 CSV PDB
5.5 -0.6172 4.8351 CSV PDB
6.0 -0.6415 4.8351 CSV PDB
6.5 -0.6472 4.8351 CSV PDB
7.0 -0.6341 4.8351 CSV PDB
7.5 -0.6085 4.8351 CSV PDB
8.0 -0.5757 4.8351 CSV PDB
8.5 -0.5378 4.835 CSV PDB
9.0 -0.4948 4.8346 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH