Demupitamab / 5sx4

A4DAB082_5sx4_J_I | Source PDB: 5sx4 | Chains: J, I | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6952
Max Score
1.3489
Min Score
-3.8174
Total Score
-290.59
Score CDR
-0.409
Score non-CDR
-0.7306

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSASTKGPSVFPLAPCTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPQTYTCNVDHKPSNTKVDKTVEDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) J (Heavy), I (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 -3.8174
Maximum Score 1.3489
Average Score -0.6952
Total Score -290.5876

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

Index Residue Chain A4D Score Classification
1 Q J -1.5692 Soluble
2 V J -1.2782 Soluble
3 Q J -1.9802 Soluble
4 L J 0.0000 Buried
5 Q J -1.8612 Soluble
6 E J 0.0000 Buried
7 S J -0.6881 Soluble
8 G J -0.5920 Soluble
9 P J -0.5414 Soluble
11 G J -0.3606 Soluble
12 L J -0.3741 Soluble
13 V J 0.0000 Buried
14 K J -2.2463 Soluble
15 P J -1.5852 Soluble
16 S J -1.5032 Soluble
17 E J -2.1719 Soluble
18 T J -1.5309 Soluble
19 L J 0.0000 Buried
20 S J -0.9223 Soluble
21 L J 0.0000 Buried
22 T J -0.6684 Soluble
23 C J 0.0000 Buried
24 T J -1.1513 Soluble
25 V J 0.0000 Buried
26 S J -1.4693 Soluble
27 G J -1.2643 Soluble
28 G J -0.9865 Soluble
29 S J -0.7395 Soluble
30 V J 0.0000 Buried
31 S J -0.3026 Soluble
34 S J -0.5400 Soluble
35 G J -0.5359 Soluble
36 D J -1.3297 Soluble
37 Y J -0.1503 Soluble
38 Y J 0.2794 Aggregation-prone
39 W J 0.0000 Buried
40 T J 0.0000 Buried
41 W J 0.0000 Buried
42 I J 0.0000 Buried
43 R J 0.0000 Buried
44 Q J -0.4637 Soluble
45 S J -0.6509 Soluble
46 P J -0.8864 Soluble
47 G J -1.2669 Soluble
48 K J -1.7827 Soluble
49 G J -1.1680 Soluble
50 L J 0.0000 Buried
51 E J -0.6300 Soluble
52 W J 0.0000 Buried
53 I J 0.0000 Buried
54 G J 0.0000 Buried
55 H J 0.0000 Buried
56 I J 0.0000 Buried
57 Y J 0.0698 Aggregation-prone
58 Y J 0.3389 Aggregation-prone
59 S J -0.2745 Soluble
63 G J -0.7572 Soluble
64 N J -1.4066 Soluble
65 T J -0.8324 Soluble
66 N J -0.8653 Soluble
67 Y J -0.7643 Soluble
68 N J -0.8014 Soluble
69 P J -1.2528 Soluble
70 S J -0.9246 Soluble
71 L J 0.0000 Buried
72 K J -2.1383 Soluble
74 S J -1.3487 Soluble
75 R J -1.3815 Soluble
76 L J 0.0000 Buried
77 T J -0.9691 Soluble
78 I J 0.0000 Buried
79 S J -0.4624 Soluble
80 I J -0.2491 Soluble
81 D J -1.1019 Soluble
82 T J -0.9217 Soluble
83 S J -1.3413 Soluble
84 K J -2.0809 Soluble
85 T J -1.3793 Soluble
86 Q J -1.1703 Soluble
87 F J 0.0000 Buried
88 S J -0.5418 Soluble
89 L J 0.0000 Buried
90 K J -1.4067 Soluble
91 L J 0.0000 Buried
92 S J -1.2040 Soluble
93 S J -1.2224 Soluble
94 V J 0.0000 Buried
95 T J -0.6496 Soluble
96 A J -0.2381 Soluble
97 A J -0.2085 Soluble
98 D J 0.0000 Buried
99 T J 0.1311 Aggregation-prone
100 A J 0.0000 Buried
101 I J 0.4758 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 V J 0.0000 Buried
106 R J -0.1563 Soluble
107 D J 0.0000 Buried
108 R J -0.1415 Soluble
109 V J 0.4665 Aggregation-prone
110 T J 0.1570 Aggregation-prone
113 G J 0.3368 Aggregation-prone
114 A J 0.0000 Buried
115 F J 0.0000 Buried
116 D J 0.0000 Buried
117 I J -0.4462 Soluble
118 W J -0.8541 Soluble
119 G J 0.0000 Buried
120 Q J -1.9811 Soluble
121 G J -0.9710 Soluble
122 T J -0.2644 Soluble
123 M J 0.3394 Aggregation-prone
124 V J 0.0000 Buried
125 T J -0.1644 Soluble
126 V J 0.0000 Buried
127 S J -0.7280 Soluble
128 S J -0.8708 Soluble
129 A J -0.5739 Soluble
130 S J -0.6954 Soluble
131 T J -0.7280 Soluble
132 K J -1.3950 Soluble
133 G J -1.5338 Soluble
134 P J -0.6790 Soluble
135 S J -0.4734 Soluble
136 V J 0.0000 Buried
137 F J 0.0000 Buried
138 P J -0.8604 Soluble
139 L J 0.0000 Buried
140 A J -0.3178 Soluble
141 P J -0.0255 Soluble
142 C J -0.0454 Soluble
143 T J -0.1206 Soluble
144 A J 0.0085 Aggregation-prone
145 A J 0.0000 Buried
146 L J -0.0437 Soluble
147 G J 0.0000 Buried
148 C J 0.0000 Buried
149 L J 0.0000 Buried
150 V J 0.0000 Buried
151 K J 0.0000 Buried
152 D J -0.4925 Soluble
153 Y J 0.0000 Buried
154 F J 0.0000 Buried
155 P J 0.0000 Buried
156 E J -0.3503 Soluble
157 P J -0.5293 Soluble
158 V J -0.5490 Soluble
159 T J -0.5132 Soluble
160 V J -0.3217 Soluble
161 S J -0.5047 Soluble
162 W J 0.0000 Buried
163 N J -0.9255 Soluble
164 S J -0.8541 Soluble
165 G J -0.6216 Soluble
166 A J -0.2959 Soluble
167 L J -0.0434 Soluble
168 T J -0.1791 Soluble
169 S J -0.1371 Soluble
170 G J -0.1288 Soluble
171 V J 0.2028 Aggregation-prone
172 H J -0.1200 Soluble
173 T J -0.0020 Soluble
174 F J 0.0000 Buried
175 P J -0.3696 Soluble
176 A J 0.2632 Aggregation-prone
177 V J 0.5027 Aggregation-prone
178 L J 1.3489 Aggregation-prone
179 Q J 0.2823 Aggregation-prone
180 S J -0.0331 Soluble
181 S J -0.2073 Soluble
182 G J 0.0559 Aggregation-prone
183 L J 0.1500 Aggregation-prone
184 Y J 0.4898 Aggregation-prone
185 S J 0.0000 Buried
186 L J 0.0000 Buried
187 S J 0.0000 Buried
188 S J 0.0000 Buried
189 V J 0.0000 Buried
190 V J 0.0000 Buried
191 T J 0.0256 Aggregation-prone
192 V J 0.0639 Aggregation-prone
193 P J -0.1888 Soluble
194 Q J -1.3831 Soluble
195 T J -0.9644 Soluble
196 Y J -0.7931 Soluble
197 T J -1.0632 Soluble
198 C J 0.0000 Buried
199 N J -1.3746 Soluble
200 V J 0.0000 Buried
201 D J -1.7515 Soluble
202 H J 0.0000 Buried
203 K J -2.7044 Soluble
204 P J -1.5900 Soluble
205 S J -1.8919 Soluble
206 N J -2.5802 Soluble
207 T J -2.0512 Soluble
208 K J -2.6152 Soluble
209 V J -1.4239 Soluble
210 D J -2.2606 Soluble
211 K J -1.5362 Soluble
212 T J -1.0884 Soluble
213 V J 0.0000 Buried
214 E J -1.9899 Soluble
1 D I -2.1343 Soluble
2 I I 0.0000 Buried
3 Q I -1.9413 Soluble
4 M I -1.1336 Soluble
5 T I -0.9717 Soluble
6 Q I 0.0000 Buried
7 S I -0.6388 Soluble
8 P I -0.6262 Soluble
9 S I -0.8906 Soluble
10 S I -1.0670 Soluble
11 L I -0.6913 Soluble
12 S I -0.8226 Soluble
13 A I -1.1163 Soluble
14 S I -1.0790 Soluble
15 V I -0.3601 Soluble
16 G I -1.0187 Soluble
17 D I -2.0184 Soluble
18 R I -2.4812 Soluble
19 V I 0.0000 Buried
20 T I -0.6546 Soluble
21 I I 0.0000 Buried
22 T I -0.6938 Soluble
23 C I 0.0000 Buried
24 Q I -1.9468 Soluble
25 A I 0.0000 Buried
26 S I -1.8953 Soluble
27 Q I -2.3648 Soluble
28 D I -2.6150 Soluble
29 I I 0.0000 Buried
36 S I -1.2076 Soluble
37 N I -0.8769 Soluble
38 Y I -0.1339 Soluble
39 L I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I 0.0000 Buried
44 Q I -1.5338 Soluble
45 K I -2.2139 Soluble
46 P I -1.7114 Soluble
47 G I -1.9255 Soluble
48 K I -2.6153 Soluble
49 A I -1.6468 Soluble
50 P I 0.0000 Buried
51 K I -1.4974 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I -0.1908 Soluble
56 D I -0.5781 Soluble
57 A I 0.0000 Buried
65 S I -0.8345 Soluble
66 N I -0.9887 Soluble
67 L I -0.1122 Soluble
68 E I -0.3599 Soluble
69 T I -0.3288 Soluble
70 G I -0.4161 Soluble
71 V I -0.2580 Soluble
72 P I -0.2820 Soluble
74 S I -0.3937 Soluble
75 R I -0.7809 Soluble
76 F I 0.0000 Buried
77 S I -0.4695 Soluble
78 G I -0.4887 Soluble
79 S I -0.9663 Soluble
80 G I -1.1135 Soluble
83 S I -1.2769 Soluble
84 G I -1.7364 Soluble
85 T I -2.1296 Soluble
86 D I -2.6072 Soluble
87 F I 0.0000 Buried
88 T I -0.7435 Soluble
89 F I 0.0000 Buried
90 T I -0.6150 Soluble
91 I I 0.0000 Buried
92 S I -1.4812 Soluble
93 S I -1.3077 Soluble
94 L I 0.0000 Buried
95 Q I -1.2364 Soluble
96 P I -1.9907 Soluble
97 E I -2.5364 Soluble
98 D I 0.0000 Buried
99 I I 0.0000 Buried
100 A I 0.0000 Buried
101 T I 0.0000 Buried
102 Y I 0.0000 Buried
103 F I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 H I 0.0000 Buried
107 F I 0.0299 Aggregation-prone
108 D I -0.7659 Soluble
109 H I -0.4733 Soluble
114 L I 0.0511 Aggregation-prone
115 P I -0.2895 Soluble
116 L I 0.0000 Buried
117 A I -0.5406 Soluble
118 F I 0.0000 Buried
119 G I 0.0000 Buried
120 G I -1.0615 Soluble
121 G I -0.8456 Soluble
122 T I 0.0000 Buried
123 K I -2.0979 Soluble
124 V I 0.0000 Buried
125 E I -1.7431 Soluble
126 I I 0.0000 Buried
127 K I -1.5303 Soluble
128 R I -1.1757 Soluble
129 T I -0.3042 Soluble
130 V I 0.2420 Aggregation-prone
131 A I -0.0845 Soluble
132 A I -0.1274 Soluble
133 P I 0.0000 Buried
134 S I -0.1253 Soluble
135 V I 0.0000 Buried
136 F I 0.0433 Aggregation-prone
137 I I 0.0578 Aggregation-prone
138 F I 0.0000 Buried
139 P I -0.3636 Soluble
140 P I -0.6566 Soluble
141 S I -1.6253 Soluble
142 D I -2.9422 Soluble
143 E I -2.9930 Soluble
144 Q I 0.0000 Buried
145 L I -2.2896 Soluble
146 K I -2.7936 Soluble
147 S I -1.7350 Soluble
148 G I -1.2280 Soluble
149 T I -1.0361 Soluble
150 A I 0.0000 Buried
151 S I 0.0000 Buried
152 V I 0.0000 Buried
153 V I 0.0000 Buried
154 C I 0.0000 Buried
155 L I 0.0000 Buried
156 L I 0.0000 Buried
157 N I 0.0000 Buried
158 N I -0.9046 Soluble
159 F I 0.0000 Buried
160 Y I 0.0000 Buried
161 P I -1.8476 Soluble
162 R I -3.1076 Soluble
163 E I -3.2568 Soluble
164 A I -2.3222 Soluble
165 K I -2.2878 Soluble
166 V I -1.0402 Soluble
167 Q I -0.6044 Soluble
168 W I 0.0000 Buried
169 K I -0.4867 Soluble
170 V I 0.0000 Buried
171 D I -1.8083 Soluble
172 N I -1.2875 Soluble
173 A I -0.2136 Soluble
174 L I 0.7686 Aggregation-prone
175 Q I -0.1013 Soluble
176 S I -0.5377 Soluble
177 G I -0.9916 Soluble
178 N I -0.9818 Soluble
179 S I -1.3414 Soluble
180 Q I -1.7635 Soluble
181 E I -2.0083 Soluble
182 S I -1.0037 Soluble
183 V I -0.6809 Soluble
184 T I -1.0928 Soluble
185 E I -2.3317 Soluble
186 Q I 0.0000 Buried
187 D I -2.3310 Soluble
188 S I -2.6602 Soluble
189 K I -2.9153 Soluble
190 D I -2.3428 Soluble
191 S I 0.0000 Buried
192 T I 0.0000 Buried
193 Y I 0.0000 Buried
194 S I 0.0000 Buried
195 L I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 T I -0.7528 Soluble
199 L I 0.0000 Buried
200 T I -0.3877 Soluble
201 L I -0.7344 Soluble
202 S I -1.1456 Soluble
203 K I -2.1369 Soluble
204 A I -2.0313 Soluble
205 D I -2.8103 Soluble
206 Y I 0.0000 Buried
207 E I -3.8174 Soluble
208 K I -3.8013 Soluble
209 H I -3.1339 Soluble
210 K I -3.2497 Soluble
211 V I -1.5276 Soluble
212 Y I 0.0000 Buried
213 A I 0.0000 Buried
214 C I 0.0000 Buried
215 E I -0.8952 Soluble
216 V I 0.0000 Buried
217 T I -1.1616 Soluble
218 H I 0.0000 Buried
219 Q I -1.5538 Soluble
220 G I -0.4649 Soluble
221 L I -0.2495 Soluble
222 S I -0.4630 Soluble
223 S I -0.3952 Soluble
224 P I -0.4829 Soluble
225 V I 0.0582 Aggregation-prone
226 T I -0.5010 Soluble
227 K I -0.8515 Soluble
228 S I -0.6860 Soluble
229 F I 0.0000 Buried
230 N I -1.9916 Soluble
231 R I -2.6266 Soluble
232 G I -2.1415 Soluble
233 E I -2.4235 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 -0.6863 2.9241 CSV PDB
4.5 -0.7317 2.8845 CSV PDB
5.0 -0.7848 2.8307 CSV PDB
5.5 -0.8359 2.7717 CSV PDB
6.0 -0.8739 2.7166 CSV PDB
6.5 -0.8901 2.6746 CSV PDB
7.0 -0.8839 2.6506 CSV PDB
7.5 -0.8617 2.6404 CSV PDB
8.0 -0.8299 2.6368 CSV PDB
8.5 -0.7904 2.6355 CSV PDB
9.0 -0.7427 2.6352 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH