Demupitamab / 5sx4

A4DAB082_5sx4_H_L | Source PDB: 5sx4 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7129
Max Score
1.1678
Min Score
-3.943
Total Score
-301.55
Score CDR
-0.4499
Score non-CDR
-0.745

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTQTYTCNVDHKPSNTKVDKTVEDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.943
Maximum Score 1.1678
Average Score -0.7129
Total Score -301.5476

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

Index Residue Chain A4D Score Classification
1 Q H -1.5944 Soluble
2 V H -1.2669 Soluble
3 Q H -1.9768 Soluble
4 L H 0.0000 Buried
5 Q H -1.8686 Soluble
6 E H 0.0000 Buried
7 S H -0.7110 Soluble
8 G H -0.6083 Soluble
9 P H -0.4013 Soluble
11 G H -0.3825 Soluble
12 L H -0.3069 Soluble
13 V H 0.0000 Buried
14 K H -2.0806 Soluble
15 P H -1.4897 Soluble
16 S H -1.4809 Soluble
17 E H -2.1576 Soluble
18 T H -1.4747 Soluble
19 L H 0.0000 Buried
20 S H -0.8308 Soluble
21 L H 0.0000 Buried
22 T H -0.5636 Soluble
23 C H 0.0000 Buried
24 T H -1.1744 Soluble
25 V H 0.0000 Buried
26 S H -1.3068 Soluble
27 G H -1.2651 Soluble
28 G H -0.9975 Soluble
29 S H -0.7584 Soluble
30 V H 0.0000 Buried
31 S H -0.3401 Soluble
34 S H -0.6407 Soluble
35 G H -0.6942 Soluble
36 D H -1.4634 Soluble
37 Y H -0.3264 Soluble
38 Y H 0.1265 Aggregation-prone
39 W H 0.0000 Buried
40 T H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.6222 Soluble
45 S H -0.9147 Soluble
46 P H -1.0429 Soluble
47 G H -1.4919 Soluble
48 K H -2.2395 Soluble
49 G H -1.4518 Soluble
50 L H 0.0000 Buried
51 E H -0.7169 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 H H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H 0.0189 Aggregation-prone
58 Y H 0.2905 Aggregation-prone
59 S H -0.2788 Soluble
63 G H -0.7411 Soluble
64 N H -1.3343 Soluble
65 T H -0.7693 Soluble
66 N H -0.7872 Soluble
67 Y H -0.6419 Soluble
68 N H 0.0000 Buried
69 P H -1.1334 Soluble
70 S H -0.8711 Soluble
71 L H 0.0000 Buried
72 K H -2.0649 Soluble
74 S H -1.3286 Soluble
75 R H -1.3603 Soluble
76 L H 0.0000 Buried
77 T H -0.8958 Soluble
78 I H 0.0000 Buried
79 S H -0.4393 Soluble
80 I H -0.3618 Soluble
81 D H -1.0249 Soluble
82 T H -0.8878 Soluble
83 S H -1.2884 Soluble
84 K H -2.0484 Soluble
85 T H -1.3496 Soluble
86 Q H -1.1639 Soluble
87 F H 0.0000 Buried
88 S H -0.4595 Soluble
89 L H 0.0000 Buried
90 K H -1.1804 Soluble
91 L H 0.0000 Buried
92 S H -1.1615 Soluble
93 S H -1.2215 Soluble
94 V H 0.0000 Buried
95 T H -0.6445 Soluble
96 A H -0.1946 Soluble
97 A H -0.2529 Soluble
98 D H 0.0000 Buried
99 T H 0.0567 Aggregation-prone
100 A H 0.0000 Buried
101 I H 0.3475 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 V H 0.0000 Buried
106 R H -0.3082 Soluble
107 D H 0.0000 Buried
108 R H -0.3589 Soluble
109 V H 0.2326 Aggregation-prone
110 T H 0.0574 Aggregation-prone
113 G H 0.0573 Aggregation-prone
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5166 Soluble
117 I H -0.4913 Soluble
118 W H -0.9686 Soluble
119 G H 0.0000 Buried
120 Q H -1.9945 Soluble
121 G H -1.0287 Soluble
122 T H -0.3667 Soluble
123 M H 0.1922 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.6551 Soluble
128 S H -0.8160 Soluble
129 A H -0.5697 Soluble
130 S H -0.6943 Soluble
131 T H -0.7544 Soluble
132 K H -1.5352 Soluble
133 G H -1.6420 Soluble
134 P H -0.8185 Soluble
135 S H -0.4023 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9355 Soluble
139 L H 0.0000 Buried
140 A H -0.4941 Soluble
141 P H -0.2712 Soluble
142 C H -0.4738 Soluble
143 S H -0.4378 Soluble
144 E H -2.0089 Soluble
145 S H -1.2234 Soluble
146 T H -0.8766 Soluble
147 A H -0.6318 Soluble
148 A H 0.0000 Buried
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 -0.7090 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H 0.0000 Buried
159 E H -0.3439 Soluble
160 P H -0.6363 Soluble
161 V H -0.5005 Soluble
162 T H -0.6261 Soluble
163 V H -0.4300 Soluble
164 S H -0.5100 Soluble
165 W H 0.0000 Buried
166 N H -0.8002 Soluble
167 S H -0.8069 Soluble
168 G H -0.5961 Soluble
169 A H -0.2609 Soluble
170 L H -0.0040 Soluble
171 T H -0.1570 Soluble
172 S H -0.1611 Soluble
173 G H -0.2039 Soluble
174 V H 0.1472 Aggregation-prone
175 H H -0.0743 Soluble
176 T H 0.0009 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.3106 Soluble
179 A H 0.2446 Aggregation-prone
180 V H 0.5365 Aggregation-prone
181 L H 1.1678 Aggregation-prone
182 Q H 0.2155 Aggregation-prone
183 S H -0.1000 Soluble
184 S H -0.2920 Soluble
185 G H -0.0796 Soluble
186 L H -0.0236 Soluble
187 Y H 0.3604 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 -0.1343 Soluble
195 V H 0.0000 Buried
196 P H -0.6569 Soluble
197 S H -0.7976 Soluble
198 T H -0.6919 Soluble
199 Q H -1.2200 Soluble
200 T H -0.9130 Soluble
201 Y H -0.7096 Soluble
202 T H -0.8376 Soluble
203 C H 0.0000 Buried
204 N H -1.4132 Soluble
205 V H 0.0000 Buried
206 D H -2.1199 Soluble
207 H H 0.0000 Buried
208 K H -2.7896 Soluble
209 P H -1.6681 Soluble
210 S H -1.9689 Soluble
211 N H -2.6723 Soluble
212 T H -2.1766 Soluble
213 K H -2.7530 Soluble
214 V H -1.4805 Soluble
215 D H -2.2302 Soluble
216 K H -1.4206 Soluble
217 T H -1.0054 Soluble
218 V H 0.0000 Buried
219 E H -1.8670 Soluble
1 D L -2.1649 Soluble
2 I L 0.0000 Buried
3 Q L -2.0104 Soluble
4 M L 0.0000 Buried
5 T L -1.0661 Soluble
6 Q L -0.8249 Soluble
7 S L -0.5482 Soluble
8 P L -0.6609 Soluble
9 S L -0.8984 Soluble
10 S L -1.0338 Soluble
11 L L -0.7045 Soluble
12 S L -1.0176 Soluble
13 A L -1.0888 Soluble
14 S L -0.9155 Soluble
15 V L 0.0847 Aggregation-prone
16 G L -0.7563 Soluble
17 D L -1.9429 Soluble
18 R L -2.3577 Soluble
19 V L 0.0000 Buried
20 T L -0.6630 Soluble
21 I L 0.0000 Buried
22 T L -0.7427 Soluble
23 C L 0.0000 Buried
24 Q L -1.9797 Soluble
25 A L -1.8545 Soluble
26 S L -1.9409 Soluble
27 Q L -2.4003 Soluble
28 D L -2.6175 Soluble
29 I L 0.0000 Buried
36 S L -1.1871 Soluble
37 N L -0.8754 Soluble
38 Y L -0.1051 Soluble
39 L L 0.0000 Buried
40 N 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 -1.5276 Soluble
45 K L -2.0452 Soluble
46 P L -1.5885 Soluble
47 G L -1.8662 Soluble
48 K L -2.6116 Soluble
49 A L -1.6720 Soluble
50 P L 0.0000 Buried
51 K L -1.7254 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2245 Soluble
56 D L -0.5165 Soluble
57 A L 0.0000 Buried
65 S L -0.8175 Soluble
66 N L -0.9678 Soluble
67 L L -0.1695 Soluble
68 E L -0.5225 Soluble
69 T L -0.4125 Soluble
70 G L -0.5251 Soluble
71 V L 0.0000 Buried
72 P L -0.4046 Soluble
74 S L -0.4570 Soluble
75 R L -0.7841 Soluble
76 F L 0.0000 Buried
77 S L -0.4895 Soluble
78 G L -0.4785 Soluble
79 S L -0.9609 Soluble
80 G L -1.1071 Soluble
83 S L -1.2634 Soluble
84 G L -1.7076 Soluble
85 T L -2.1233 Soluble
86 D L -2.5808 Soluble
87 F L 0.0000 Buried
88 T L -0.7554 Soluble
89 F L 0.0000 Buried
90 T L -0.6068 Soluble
91 I L 0.0000 Buried
92 S L -1.3174 Soluble
93 S L -1.0708 Soluble
94 L L 0.0000 Buried
95 Q L -0.7144 Soluble
96 P L -1.4276 Soluble
97 E L -1.7414 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.1104 Soluble
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 H L 0.0000 Buried
107 F L 0.0611 Aggregation-prone
108 D L -0.7457 Soluble
109 H L -0.4571 Soluble
114 L L 0.1578 Aggregation-prone
115 P L -0.1629 Soluble
116 L L 0.0000 Buried
117 A L -0.5264 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.1703 Soluble
121 G L -0.8810 Soluble
122 T L 0.0000 Buried
123 K L -2.0320 Soluble
124 V L 0.0000 Buried
125 E L -1.4939 Soluble
126 I L 0.0000 Buried
127 K L -1.6317 Soluble
128 R L -1.0577 Soluble
129 T L -0.1504 Soluble
130 V L 0.3352 Aggregation-prone
131 A L 0.0284 Aggregation-prone
132 A L -0.0799 Soluble
133 P L 0.0000 Buried
134 S L -0.1261 Soluble
135 V L 0.0000 Buried
136 F L 0.0052 Aggregation-prone
137 I L 0.0307 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4137 Soluble
140 P L -0.7831 Soluble
141 S L -1.6771 Soluble
142 D L -3.0530 Soluble
143 E L -3.2004 Soluble
144 Q L 0.0000 Buried
145 L L -2.4184 Soluble
146 K L -2.8881 Soluble
147 S L -1.8054 Soluble
148 G L -1.3425 Soluble
149 T L -0.9675 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7702 Soluble
159 F L 0.0000 Buried
160 Y L -1.0895 Soluble
161 P L -1.6306 Soluble
162 R L -2.7377 Soluble
163 E L -3.0401 Soluble
164 A L -2.1112 Soluble
165 K L -1.9759 Soluble
166 V L -0.8521 Soluble
167 Q L -0.3874 Soluble
168 W L 0.0000 Buried
169 K L -0.4742 Soluble
170 V L 0.0000 Buried
171 D L -1.8025 Soluble
172 N L -1.3852 Soluble
173 A L -0.2904 Soluble
174 L L 0.7441 Aggregation-prone
175 Q L -0.3154 Soluble
176 S L -0.7584 Soluble
177 G L -1.3651 Soluble
178 N L -1.7518 Soluble
179 S L -1.5267 Soluble
180 Q L -1.5375 Soluble
181 E L -1.6831 Soluble
182 S L -0.8567 Soluble
183 V L -0.6081 Soluble
184 T L -1.0086 Soluble
185 E L -2.1371 Soluble
186 Q L 0.0000 Buried
187 D L -1.8371 Soluble
188 S L -2.1033 Soluble
189 K L -2.6127 Soluble
190 D L -2.1777 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L -0.5077 Soluble
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7178 Soluble
199 L L 0.0000 Buried
200 T L -0.6047 Soluble
201 L L -0.9428 Soluble
202 S L -1.2651 Soluble
203 K L -2.4178 Soluble
204 A L -2.1311 Soluble
205 D L -2.8145 Soluble
206 Y L 0.0000 Buried
207 E L -3.9430 Soluble
208 K L -3.7869 Soluble
209 H L -3.1443 Soluble
210 K L -3.2240 Soluble
211 V L -1.2965 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8282 Soluble
216 V L 0.0000 Buried
217 T L -1.0603 Soluble
218 H L 0.0000 Buried
219 Q L -1.5103 Soluble
220 G L -0.4159 Soluble
221 L L -0.2318 Soluble
222 S L -0.4528 Soluble
223 S L -0.3717 Soluble
224 P L -0.4532 Soluble
225 V L 0.1301 Aggregation-prone
226 T L -0.4532 Soluble
227 K L -0.8158 Soluble
228 S L -0.6091 Soluble
229 F L 0.0000 Buried
230 N L -1.9070 Soluble
231 R L -2.8865 Soluble
232 G L -2.3406 Soluble
233 E L -2.5502 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 -0.7103 1.8363 CSV PDB
4.5 -0.7563 1.7906 CSV PDB
5.0 -0.8103 1.7158 CSV PDB
5.5 -0.8621 1.6234 CSV PDB
6.0 -0.9 1.5283 CSV PDB
6.5 -0.9159 1.4442 CSV PDB
7.0 -0.9099 1.4282 CSV PDB
7.5 -0.8886 1.4282 CSV PDB
8.0 -0.8581 1.4282 CSV PDB
8.5 -0.8203 1.4538 CSV PDB
9.0 -0.7746 1.6028 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH