Duligotuzumab / 3p0v

A4DAB092_3p0v_H_L | Source PDB: 3p0v | Chains: H, L | Done
98.68
Yes
10 Å
Yes
Avg A4D Score
-0.6872
Max Score
2.2036
Min Score
-3.6609
Total Score
-295.49
Score CDR
-0.3902
Score non-CDR
-0.7245

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTLSGDWIHWVRQAPGKGLEWLGEISAAGGYTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARESRVSFEAAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRASQDLATDVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSEPEPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.6609
Maximum Score 2.2036
Average Score -0.6872
Total Score -295.4943

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

Index Residue Chain A4D Score Classification
1 E H -2.1381 Soluble
2 V H -1.3155 Soluble
3 Q H -1.3427 Soluble
4 L H 0.0000 Buried
5 V H 0.8082 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5002 Soluble
8 G H -0.9866 Soluble
9 G H -0.6042 Soluble
11 G H -0.4292 Soluble
12 L H -0.1902 Soluble
13 V H 0.0000 Buried
14 Q H -1.6821 Soluble
15 P H -1.6014 Soluble
16 G H -1.4676 Soluble
17 G H -1.2320 Soluble
18 S H -1.2876 Soluble
19 L H -1.2963 Soluble
20 R H -2.1924 Soluble
21 L H 0.0000 Buried
22 S H -0.4157 Soluble
23 C H 0.0000 Buried
24 A H -0.1054 Soluble
25 A H 0.0000 Buried
26 S H -0.8086 Soluble
27 G H -1.2383 Soluble
28 F H -0.5005 Soluble
29 T H -0.4771 Soluble
30 L H 0.0000 Buried
35 S H -0.6351 Soluble
36 G H -0.6379 Soluble
37 D H -0.6673 Soluble
38 W H -0.1800 Soluble
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 0.0000 Buried
44 Q H -0.6817 Soluble
45 A H -1.1414 Soluble
46 P H -0.9023 Soluble
47 G H -1.4555 Soluble
48 K H -2.3323 Soluble
49 G H -1.5145 Soluble
50 L H 0.0000 Buried
51 E H -0.8352 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 G H 0.0000 Buried
55 E H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 A H -0.3279 Soluble
59 A H -0.3639 Soluble
62 G H -0.3629 Soluble
63 G H -0.0968 Soluble
64 Y H 0.8659 Aggregation-prone
65 T H 0.2679 Aggregation-prone
66 D H -0.7829 Soluble
67 Y H -1.3836 Soluble
68 A H 0.0000 Buried
69 D H -2.6074 Soluble
70 S H -1.6493 Soluble
71 V H 0.0000 Buried
72 K H -2.7941 Soluble
74 G H -1.9180 Soluble
75 R H -1.8342 Soluble
76 F H 0.0000 Buried
77 T H -1.0247 Soluble
78 I H 0.0000 Buried
79 S H -0.1888 Soluble
80 A H -0.7587 Soluble
81 D H -1.3246 Soluble
82 T H -1.2693 Soluble
83 S H -1.3567 Soluble
84 K H -2.1271 Soluble
85 N H -1.4030 Soluble
86 T H -0.7096 Soluble
87 A H 0.0000 Buried
88 Y H -0.5340 Soluble
89 L H 0.0000 Buried
90 Q H -1.3894 Soluble
91 M H 0.0000 Buried
92 N H -1.7449 Soluble
93 S H -1.3351 Soluble
94 L H 0.0000 Buried
95 R H -2.5212 Soluble
96 A H -1.8180 Soluble
97 E H -2.2995 Soluble
98 D H 0.0000 Buried
99 T H -0.7783 Soluble
100 A H 0.0000 Buried
101 V H 0.1978 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 -0.5401 Soluble
107 E H -0.3670 Soluble
108 S H -0.5777 Soluble
109 R H -1.4456 Soluble
110 V H -0.0542 Soluble
111 S H 0.5976 Aggregation-prone
112A F H 1.5429 Aggregation-prone
112 E H 0.0000 Buried
113 A H 0.0000 Buried
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.4726 Soluble
117 Y H -0.2135 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3521 Soluble
121 G H -0.6188 Soluble
122 T H -0.0958 Soluble
123 L H 0.0629 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5655 Soluble
126 V H 0.0000 Buried
127 S H -1.0638 Soluble
128 S H -0.7496 Soluble
129 A H -0.5011 Soluble
130 S H -0.5869 Soluble
131 T H -0.8347 Soluble
132 K H -1.3498 Soluble
133 G H -1.5261 Soluble
134 P H 0.0000 Buried
135 S H -0.3467 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1726 Soluble
139 L H 0.0000 Buried
140 A H -1.0967 Soluble
141 P H 0.0000 Buried
142 S H -0.6891 Soluble
143 S H -0.3920 Soluble
144 G H -0.6625 Soluble
145 T H -0.4755 Soluble
146 A H -0.2541 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.5239 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.6901 Soluble
159 P H -0.8179 Soluble
160 V H -0.4776 Soluble
161 T H -0.5618 Soluble
162 V H -0.1961 Soluble
163 S H -0.3174 Soluble
164 W H 0.0000 Buried
165 N H -0.7177 Soluble
166 S H -0.5949 Soluble
167 G H -0.4098 Soluble
168 A H -0.1603 Soluble
169 L H 0.0701 Aggregation-prone
170 T H -0.0737 Soluble
171 S H -0.1654 Soluble
172 G H -0.2368 Soluble
173 V H 0.2408 Aggregation-prone
174 H H -0.2159 Soluble
175 T H -0.0846 Soluble
176 F H 0.0000 Buried
177 P H -0.1681 Soluble
178 A H 0.2630 Aggregation-prone
179 V H 0.5788 Aggregation-prone
180 L H 1.3841 Aggregation-prone
181 Q H 0.3460 Aggregation-prone
182 S H -0.0438 Soluble
183 S H -0.2006 Soluble
184 G H 0.0960 Aggregation-prone
185 L H 0.1485 Aggregation-prone
186 Y H 0.4428 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1400 Soluble
194 V H 0.0000 Buried
195 P H -0.4782 Soluble
196 S H -0.5393 Soluble
197 S H -0.5314 Soluble
198 S H -0.4828 Soluble
199 L H -0.6726 Soluble
200 G H -0.9863 Soluble
201 T H -0.6012 Soluble
202 Q H -1.0094 Soluble
203 T H -1.0107 Soluble
204 Y H 0.0000 Buried
205 I H -1.2503 Soluble
206 C H 0.0000 Buried
207 N H -1.4996 Soluble
208 V H 0.0000 Buried
209 N H -1.8255 Soluble
210 H H 0.0000 Buried
211 K H -2.8913 Soluble
212 P H -1.7318 Soluble
213 S H -1.9122 Soluble
214 N H -2.7331 Soluble
215 T H -2.3094 Soluble
216 K H -2.8156 Soluble
217 V H -1.9027 Soluble
218 D H -2.6712 Soluble
219 K H -2.3781 Soluble
220 K H -2.4807 Soluble
221 V H 0.0000 Buried
222 E H -2.8672 Soluble
223 P H -2.0470 Soluble
224 K H -2.5602 Soluble
225 S H -1.2752 Soluble
1 D L -2.2468 Soluble
2 I L -1.9360 Soluble
3 Q L -1.9222 Soluble
4 M L 0.0000 Buried
5 T L -1.2470 Soluble
6 Q L 0.0000 Buried
7 S L -0.5603 Soluble
8 P L -0.5719 Soluble
9 S L -0.8192 Soluble
10 S L -0.6913 Soluble
11 L L -0.4493 Soluble
12 S L -0.7133 Soluble
13 A L -1.0864 Soluble
14 S L -1.0861 Soluble
15 V L -0.2621 Soluble
16 G L -0.9642 Soluble
17 D L -1.9441 Soluble
18 R L -2.3692 Soluble
19 V L 0.0000 Buried
20 T L -0.5867 Soluble
21 I L 0.0000 Buried
22 T L -0.7508 Soluble
23 C L 0.0000 Buried
24 R L -2.5078 Soluble
25 A L 0.0000 Buried
26 S L -2.1218 Soluble
27 Q L -2.6226 Soluble
28 D L -2.6801 Soluble
29 L L 0.0000 Buried
36 A L -1.1798 Soluble
37 T L -0.8115 Soluble
38 D L -0.4817 Soluble
39 V L 0.0000 Buried
40 A 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 K L -1.8051 Soluble
46 P L -1.4368 Soluble
47 G L -1.7524 Soluble
48 K L -2.5608 Soluble
49 A L -1.5624 Soluble
50 P L 0.0000 Buried
51 K L -1.4139 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.9860 Aggregation-prone
56 S L 0.7009 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.7717 Aggregation-prone
66 F L 2.2036 Aggregation-prone
67 L L 1.5611 Aggregation-prone
68 Y L 0.8011 Aggregation-prone
69 S L 0.1205 Aggregation-prone
70 G L -0.3740 Soluble
71 V L -0.1847 Soluble
72 P L -0.2365 Soluble
74 S L -0.3574 Soluble
75 R L -0.8271 Soluble
76 F L 0.0000 Buried
77 S L 0.0509 Aggregation-prone
78 G L 0.2055 Aggregation-prone
79 S L -0.4585 Soluble
80 G L -1.1376 Soluble
83 S L -1.1968 Soluble
84 G L -1.7700 Soluble
85 T L -2.2678 Soluble
86 D L -2.7662 Soluble
87 F L 0.0000 Buried
88 T L -0.7764 Soluble
89 L L 0.0000 Buried
90 T L -0.6183 Soluble
91 I L 0.0000 Buried
92 S L -1.4773 Soluble
93 S L -1.2777 Soluble
94 L L 0.0000 Buried
95 Q L -1.0475 Soluble
96 P L -1.5541 Soluble
97 E L -1.8160 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8344 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.0000 Buried
108 E L -1.0117 Soluble
109 P L -1.2613 Soluble
114 E L -1.7805 Soluble
115 P L -1.5610 Soluble
116 Y L 0.0000 Buried
117 T L -0.9283 Soluble
118 F L -0.3980 Soluble
119 G L 0.0000 Buried
120 Q L -1.7112 Soluble
121 G L -1.2159 Soluble
122 T L 0.0000 Buried
123 K L -1.3948 Soluble
124 V L 0.0000 Buried
125 E L -1.1477 Soluble
126 I L 0.0000 Buried
127 K L -1.5134 Soluble
128 R L -0.9375 Soluble
129 T L 0.1000 Aggregation-prone
130 V L 1.0970 Aggregation-prone
131 A L 0.4069 Aggregation-prone
132 A L -0.0077 Soluble
133 P L 0.0000 Buried
134 S L -0.2132 Soluble
135 V L 0.0000 Buried
136 F L 0.2087 Aggregation-prone
137 I L 0.2069 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5413 Soluble
140 P L 0.0000 Buried
141 S L -1.8624 Soluble
142 D L -3.2148 Soluble
143 E L -3.2578 Soluble
144 Q L 0.0000 Buried
145 L L -2.2869 Soluble
146 K L -2.9154 Soluble
147 S L -1.7701 Soluble
148 G L -1.4591 Soluble
149 T L -1.1173 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 -0.4426 Soluble
158 N L -0.9377 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2347 Soluble
162 R L -2.2235 Soluble
163 E L -2.7966 Soluble
164 A L -2.0472 Soluble
165 K L -2.4018 Soluble
166 V L -1.0478 Soluble
167 Q L -0.4768 Soluble
168 W L 0.0000 Buried
169 K L -0.4759 Soluble
170 V L 0.0000 Buried
171 D L -2.2210 Soluble
172 N L -1.6005 Soluble
173 A L -0.2750 Soluble
174 L L 0.7591 Aggregation-prone
175 Q L -0.2576 Soluble
176 S L -0.6341 Soluble
177 G L -1.2943 Soluble
178 N L -1.5933 Soluble
179 S L -1.5488 Soluble
180 Q L -1.6631 Soluble
181 E L -2.1325 Soluble
182 S L -0.9348 Soluble
183 V L -0.4450 Soluble
184 T L 0.0000 Buried
185 E L -1.7652 Soluble
186 Q L 0.0000 Buried
187 D L -1.8478 Soluble
188 S L -2.0374 Soluble
189 K L -2.4756 Soluble
190 D L -1.8218 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 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7733 Soluble
199 L L 0.0000 Buried
200 T L -0.6966 Soluble
201 L L -0.9039 Soluble
202 S L -1.2294 Soluble
203 K L -2.1685 Soluble
204 A L -2.0532 Soluble
205 D L -3.0149 Soluble
206 Y L 0.0000 Buried
207 E L -3.2392 Soluble
208 K L -3.6609 Soluble
209 H L -3.1944 Soluble
210 K L -3.2791 Soluble
211 V L -1.8352 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6414 Soluble
216 V L 0.0000 Buried
217 T L -1.1708 Soluble
218 H L 0.0000 Buried
219 Q L -1.4922 Soluble
220 G L -0.2329 Soluble
221 L L -0.3085 Soluble
222 S L -0.4500 Soluble
223 S L -0.4153 Soluble
224 P L -0.4493 Soluble
225 V L -0.1003 Soluble
226 T L -0.4612 Soluble
227 K L -0.6640 Soluble
228 S L -0.5936 Soluble
229 F L -0.9146 Soluble
230 N L -2.1366 Soluble
231 R L -2.2327 Soluble
232 G L -1.2516 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
Load structure at specific pH condition
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 -0.6746 3.8285 CSV PDB
4.5 -0.7204 3.8285 CSV PDB
5.0 -0.7737 3.8285 CSV PDB
5.5 -0.8252 3.8285 CSV PDB
6.0 -0.8638 3.8285 CSV PDB
6.5 -0.8803 3.8285 CSV PDB
7.0 -0.8736 3.8285 CSV PDB
7.5 -0.8514 3.8285 CSV PDB
8.0 -0.8203 3.8284 CSV PDB
8.5 -0.7822 3.8282 CSV PDB
9.0 -0.7362 3.8277 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH