Demupitamab / 5sx5

A4DAB082_5sx5_H_L | Source PDB: 5sx5 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6716
Max Score
1.4626
Min Score
-3.7136
Total Score
-281.4
Score CDR
-0.4548
Score non-CDR
-0.6983

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSQTYTCNVDHKPSNTKVDKTVEDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7136
Maximum Score 1.4626
Average Score -0.6716
Total Score -281.3981

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

Index Residue Chain A4D Score Classification
1 Q H -1.6126 Soluble
2 V H -1.2859 Soluble
3 Q H -1.9402 Soluble
4 L H 0.0000 Buried
5 Q H -1.7388 Soluble
6 E H 0.0000 Buried
7 S H -0.6958 Soluble
8 G H -0.6427 Soluble
9 P H -0.6440 Soluble
11 G H -0.3912 Soluble
12 L H -0.4015 Soluble
13 V H 0.0000 Buried
14 K H -2.3240 Soluble
15 P H -1.6291 Soluble
16 S H -1.5537 Soluble
17 E H -2.2339 Soluble
18 T H -1.5259 Soluble
19 L H 0.0000 Buried
20 S H -0.8712 Soluble
21 L H 0.0000 Buried
22 T H -0.5742 Soluble
23 C H 0.0000 Buried
24 T H -1.1064 Soluble
25 V H 0.0000 Buried
26 S H -1.2891 Soluble
27 G H -1.2899 Soluble
28 G H -1.0081 Soluble
29 S H -0.6981 Soluble
30 V H 0.0000 Buried
31 S H -0.3213 Soluble
34 S H -0.5002 Soluble
35 G H -0.5926 Soluble
36 D H -1.3514 Soluble
37 Y H -0.2001 Soluble
38 Y H 0.2302 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 -0.6064 Soluble
45 S H -0.8857 Soluble
46 P H -1.0436 Soluble
47 G H -1.5033 Soluble
48 K H -2.2570 Soluble
49 G H -1.4902 Soluble
50 L H 0.0000 Buried
51 E H -0.7172 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 0.0296 Aggregation-prone
58 Y H 0.2003 Aggregation-prone
59 S H -0.3046 Soluble
63 G H -0.7511 Soluble
64 N H -1.3382 Soluble
65 T H -0.7883 Soluble
66 N H -0.8545 Soluble
67 Y H -0.6987 Soluble
68 N H 0.0000 Buried
69 P H -1.0240 Soluble
70 S H -0.8736 Soluble
71 L H 0.0000 Buried
72 K H -2.1161 Soluble
74 S H -1.3290 Soluble
75 R H -1.3552 Soluble
76 L H 0.0000 Buried
77 T H -0.9802 Soluble
78 I H 0.0000 Buried
79 S H -0.4537 Soluble
80 I H -0.3931 Soluble
81 D H -1.1113 Soluble
82 T H -0.9459 Soluble
83 S H -1.3192 Soluble
84 K H -2.0735 Soluble
85 T H -1.3824 Soluble
86 Q H -1.2224 Soluble
87 F H 0.0000 Buried
88 S H -0.5172 Soluble
89 L H 0.0000 Buried
90 K H -1.3148 Soluble
91 L H 0.0000 Buried
92 S H -1.1701 Soluble
93 S H -1.2349 Soluble
94 V H 0.0000 Buried
95 T H -0.6999 Soluble
96 A H -0.2338 Soluble
97 A H -0.2918 Soluble
98 D H 0.0000 Buried
99 T H 0.0733 Aggregation-prone
100 A H 0.0000 Buried
101 I H 0.4513 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 -0.2449 Soluble
107 D H 0.0000 Buried
108 R H -0.2109 Soluble
109 V H 0.4149 Aggregation-prone
110 T H 0.1511 Aggregation-prone
113 G H 0.0000 Buried
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.4425 Soluble
117 I H -0.4697 Soluble
118 W H -0.9093 Soluble
119 G H 0.0000 Buried
120 Q H -1.9327 Soluble
121 G H 0.0000 Buried
122 T H -0.3260 Soluble
123 M H 0.2574 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.7441 Soluble
128 S H -0.9008 Soluble
129 A H -0.6079 Soluble
130 S H -0.7169 Soluble
131 T H -0.8603 Soluble
132 K H -1.4580 Soluble
133 G H -1.5529 Soluble
134 P H -0.6923 Soluble
135 S H -0.4703 Soluble
136 V H 0.0000 Buried
137 F H -0.5462 Soluble
138 P H -0.7814 Soluble
139 L H 0.0000 Buried
140 A H -0.2481 Soluble
141 P H -0.0223 Soluble
142 C H 0.1869 Aggregation-prone
143 S H 0.0934 Aggregation-prone
144 T H -0.2150 Soluble
145 A H -0.0726 Soluble
146 A H 0.0000 Buried
147 L H -0.0507 Soluble
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.5562 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.3051 Soluble
158 P H -0.5757 Soluble
159 V H -0.3960 Soluble
160 T H -0.5184 Soluble
161 V H -0.1894 Soluble
162 S H -0.4743 Soluble
163 W H 0.0000 Buried
164 N H -0.7133 Soluble
165 S H -0.7682 Soluble
166 G H -0.5789 Soluble
167 A H -0.2507 Soluble
168 L H -0.0300 Soluble
169 T H -0.1768 Soluble
170 S H -0.1650 Soluble
171 G H -0.2124 Soluble
172 V H 0.1754 Aggregation-prone
173 H H -0.0987 Soluble
174 T H 0.0369 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2850 Soluble
177 A H 0.2946 Aggregation-prone
178 V H 0.6328 Aggregation-prone
179 L H 1.4626 Aggregation-prone
180 Q H 0.4282 Aggregation-prone
181 S H -0.0118 Soluble
182 S H -0.2112 Soluble
183 G H 0.0309 Aggregation-prone
184 L H 0.0996 Aggregation-prone
185 Y H 0.4809 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.0209 Soluble
193 V H -0.0128 Soluble
194 P H -0.3277 Soluble
195 S H -0.3121 Soluble
196 Q H -1.3831 Soluble
197 T H -0.9442 Soluble
198 Y H -0.5469 Soluble
199 T H -0.8619 Soluble
200 C H 0.0000 Buried
201 N H -1.3505 Soluble
202 V H 0.0000 Buried
203 D H -1.8292 Soluble
204 H H 0.0000 Buried
205 K H -2.7489 Soluble
206 P H -1.6540 Soluble
207 S H -1.9347 Soluble
208 N H -2.5939 Soluble
209 T H -2.0940 Soluble
210 K H -2.6993 Soluble
211 V H -1.5898 Soluble
212 D H -2.2709 Soluble
213 K H -1.5047 Soluble
214 T H -1.0441 Soluble
215 V H 0.0000 Buried
216 E H -1.9679 Soluble
1 D L -2.2392 Soluble
2 I L 0.0000 Buried
3 Q L -2.1111 Soluble
4 M L 0.0000 Buried
5 T L -1.0556 Soluble
6 Q L -0.9286 Soluble
7 S L -0.5387 Soluble
8 P L -0.6602 Soluble
9 S L -0.9099 Soluble
10 S L -1.0411 Soluble
11 L L -0.6598 Soluble
12 S L -0.8799 Soluble
13 A L -1.0090 Soluble
14 S L -0.8909 Soluble
15 V L -0.0254 Soluble
16 G L -0.8266 Soluble
17 D L -1.9829 Soluble
18 R L -2.3822 Soluble
19 V L 0.0000 Buried
20 T L -0.6664 Soluble
21 I L 0.0000 Buried
22 T L -0.7253 Soluble
23 C L 0.0000 Buried
24 Q L -1.9818 Soluble
25 A L 0.0000 Buried
26 S L -2.1495 Soluble
27 Q L -2.9560 Soluble
28 D L -2.8692 Soluble
29 I L 0.0000 Buried
36 S L -1.2481 Soluble
37 N L -0.8405 Soluble
38 Y L -0.0850 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 -1.3709 Soluble
45 K L -1.8368 Soluble
46 P L -1.5925 Soluble
47 G L -1.8430 Soluble
48 K L -2.5209 Soluble
49 A L -1.5727 Soluble
50 P L 0.0000 Buried
51 K L -1.4260 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2507 Soluble
56 D L -0.5587 Soluble
57 A L 0.0000 Buried
65 S L -0.8342 Soluble
66 N L -0.9760 Soluble
67 L L -0.1502 Soluble
68 E L -0.4706 Soluble
69 T L -0.3496 Soluble
70 G L -0.4320 Soluble
71 V L -0.2746 Soluble
72 P L -0.2993 Soluble
74 S L -0.3913 Soluble
75 R L -0.6720 Soluble
76 F L 0.0000 Buried
77 S L -0.4276 Soluble
78 G L -0.4884 Soluble
79 S L -0.9527 Soluble
80 G L -1.1353 Soluble
83 S L -1.2527 Soluble
84 G L -1.7994 Soluble
85 T L -2.1989 Soluble
86 D L -2.4968 Soluble
87 F L 0.0000 Buried
88 T L -0.7230 Soluble
89 F L 0.0000 Buried
90 T L -0.6069 Soluble
91 I L 0.0000 Buried
92 S L -1.3124 Soluble
93 S L -1.1673 Soluble
94 L L 0.0000 Buried
95 Q L -0.7509 Soluble
96 P L -1.3575 Soluble
97 E L -1.6201 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0675 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 0.0396 Aggregation-prone
108 D L -0.8768 Soluble
109 H L -0.6503 Soluble
114 L L 0.0072 Aggregation-prone
115 P L 0.0000 Buried
116 L L 0.0000 Buried
117 A L -0.5627 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.1833 Soluble
121 G L -0.8939 Soluble
122 T L 0.0000 Buried
123 K L -2.0132 Soluble
124 V L 0.0000 Buried
125 E L -1.4755 Soluble
126 I L 0.0000 Buried
127 K L -1.3268 Soluble
128 R L -0.8095 Soluble
129 T L 0.0695 Aggregation-prone
130 V L 0.7214 Aggregation-prone
131 A L 0.3541 Aggregation-prone
132 A L -0.0065 Soluble
133 P L 0.0000 Buried
134 S L -0.1276 Soluble
135 V L 0.0000 Buried
136 F L -0.0591 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.4249 Soluble
140 P L 0.0000 Buried
141 S L -1.6587 Soluble
142 D L -3.0327 Soluble
143 E L -3.1787 Soluble
144 Q L 0.0000 Buried
145 L L -2.3716 Soluble
146 K L -2.8603 Soluble
147 S L -1.7725 Soluble
148 G L -1.3580 Soluble
149 T L -1.0110 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 -0.8214 Soluble
159 F L 0.0000 Buried
160 Y L -0.9426 Soluble
161 P L -1.5930 Soluble
162 R L -2.9290 Soluble
163 E L -3.2136 Soluble
164 A L -2.3096 Soluble
165 K L -2.4229 Soluble
166 V L -1.0615 Soluble
167 Q L -0.5757 Soluble
168 W L 0.0000 Buried
169 K L -0.6139 Soluble
170 V L 0.0000 Buried
171 D L -1.8269 Soluble
172 N L -1.3758 Soluble
173 A L -0.2939 Soluble
174 L L 0.7224 Aggregation-prone
175 Q L -0.1116 Soluble
176 S L -0.4152 Soluble
177 G L -0.8486 Soluble
178 N L -0.7406 Soluble
179 S L -0.9941 Soluble
180 Q L -1.1064 Soluble
181 E L -1.7636 Soluble
182 S L -0.8632 Soluble
183 V L -0.6334 Soluble
184 T L -1.0573 Soluble
185 E L -2.2671 Soluble
186 Q L 0.0000 Buried
187 D L -2.1338 Soluble
188 S L -2.2233 Soluble
189 K L -2.5107 Soluble
190 D L -1.8315 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 -0.5552 Soluble
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6185 Soluble
199 L L 0.0000 Buried
200 T L -0.2394 Soluble
201 L L -0.6656 Soluble
202 S L -1.0617 Soluble
203 K L -2.0554 Soluble
204 A L -1.9140 Soluble
205 D L -2.6045 Soluble
206 Y L 0.0000 Buried
207 E L -3.7136 Soluble
208 K L -3.6380 Soluble
209 H L -3.1354 Soluble
210 K L -3.1994 Soluble
211 V L -1.6498 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0046 Soluble
216 V L 0.0000 Buried
217 T L -1.2116 Soluble
218 H L 0.0000 Buried
219 Q L -1.6407 Soluble
220 G L -0.3118 Soluble
221 L L -0.1782 Soluble
222 S L -0.4396 Soluble
223 S L -0.3602 Soluble
224 P L -0.4837 Soluble
225 V L 0.1040 Aggregation-prone
226 T L -0.5006 Soluble
227 K L -0.8422 Soluble
228 S L -0.7793 Soluble
229 F L 0.0000 Buried
230 N L -2.1035 Soluble
231 R L -2.4184 Soluble
232 G L -1.4584 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 -0.6836 1.9286 CSV PDB
4.5 -0.7275 1.8922 CSV PDB
5.0 -0.7782 1.8435 CSV PDB
5.5 -0.8259 1.7907 CSV PDB
6.0 -0.8597 1.7418 CSV PDB
6.5 -0.8713 1.7051 CSV PDB
7.0 -0.8609 1.6845 CSV PDB
7.5 -0.8358 1.711 CSV PDB
8.0 -0.8021 1.7618 CSV PDB
8.5 -0.7614 1.8123 CSV PDB
9.0 -0.7132 1.8613 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH