Duligotuzumab / 3p0v

A4DAB092_3p0v_I_M | Source PDB: 3p0v | Chains: I, M | Done
98.68
Yes
10 Å
Yes
Avg A4D Score
-0.6664
Max Score
2.1979
Min Score
-3.3714
Total Score
-287.2
Score CDR
-0.3317
Score non-CDR
-0.7083

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTLSGDWIHWVRQAPGKGLEWLGEISAAGGYTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARESRVSFEAAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQDLATDVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSEPEPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) I (Heavy), M (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 -3.3714
Maximum Score 2.1979
Average Score -0.6664
Total Score -287.198

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

Index Residue Chain A4D Score Classification
1 E I -2.2603 Soluble
2 V I 0.0000 Buried
3 Q I -1.4369 Soluble
4 L I 0.0000 Buried
5 V I 0.9129 Aggregation-prone
6 E I 0.0000 Buried
7 S I -0.3967 Soluble
8 G I -0.8821 Soluble
9 G I -0.5094 Soluble
11 G I -0.3746 Soluble
12 L I -0.0643 Soluble
13 V I -0.6504 Soluble
14 Q I -1.6041 Soluble
15 P I -1.6328 Soluble
16 G I -1.6379 Soluble
17 G I -1.4003 Soluble
18 S I -1.6725 Soluble
19 L I -1.3732 Soluble
20 R I -2.1658 Soluble
21 L I 0.0000 Buried
22 S I -0.3774 Soluble
23 C I 0.0000 Buried
24 A I -0.0665 Soluble
25 A I 0.0000 Buried
26 S I -0.9021 Soluble
27 G I -1.3621 Soluble
28 F I -0.5518 Soluble
29 T I -0.4806 Soluble
30 L I 0.0000 Buried
35 S I -0.5777 Soluble
36 G I -0.5481 Soluble
37 D I 0.0000 Buried
38 W I 0.0225 Aggregation-prone
39 I I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.6899 Soluble
45 A I -1.1474 Soluble
46 P I -0.9022 Soluble
47 G I -1.4555 Soluble
48 K I -2.3426 Soluble
49 G I -1.5413 Soluble
50 L I 0.0000 Buried
51 E I -0.8925 Soluble
52 W I 0.0000 Buried
53 L I 0.0000 Buried
54 G I 0.0000 Buried
55 E I 0.0000 Buried
56 I I 0.0000 Buried
57 S I 0.0000 Buried
58 A I -0.2363 Soluble
59 A I -0.3062 Soluble
62 G I -0.3282 Soluble
63 G I -0.0135 Soluble
64 Y I 0.9740 Aggregation-prone
65 T I 0.3978 Aggregation-prone
66 D I -0.5124 Soluble
67 Y I -1.0994 Soluble
68 A I -1.5592 Soluble
69 D I -2.4011 Soluble
70 S I -1.4712 Soluble
71 V I 0.0000 Buried
72 K I -2.1854 Soluble
74 G I -1.6049 Soluble
75 R I -1.6485 Soluble
76 F I 0.0000 Buried
77 T I -1.0053 Soluble
78 I I 0.0000 Buried
79 S I -0.1712 Soluble
80 A I -0.7142 Soluble
81 D I -1.2807 Soluble
82 T I -1.2461 Soluble
83 S I -1.3494 Soluble
84 K I -2.1180 Soluble
85 N I -1.4021 Soluble
86 T I -0.6949 Soluble
87 A I 0.0000 Buried
88 Y I -0.5475 Soluble
89 L I 0.0000 Buried
90 Q I -1.7365 Soluble
91 M I 0.0000 Buried
92 N I -2.2633 Soluble
93 S I -1.6406 Soluble
94 L I 0.0000 Buried
95 R I -2.6672 Soluble
96 A I -1.8160 Soluble
97 E I -2.3133 Soluble
98 D I 0.0000 Buried
99 T I -0.7465 Soluble
100 A I 0.0000 Buried
101 V I 0.2163 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 E I -0.1796 Soluble
108 S I 0.0000 Buried
109 R I -1.2567 Soluble
110 V I 0.1944 Aggregation-prone
111 S I 0.6921 Aggregation-prone
112A F I 1.5583 Aggregation-prone
112 E I 0.0000 Buried
113 A I 0.0000 Buried
114 A I 0.0000 Buried
115 M I 0.0000 Buried
116 D I -0.5018 Soluble
117 Y I -0.3136 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.2768 Soluble
121 G I -0.5713 Soluble
122 T I -0.0474 Soluble
123 L I 0.0613 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.5172 Soluble
126 V I 0.0000 Buried
127 S I -0.8204 Soluble
128 S I -0.7033 Soluble
129 A I -0.4462 Soluble
130 S I -0.5094 Soluble
131 T I -0.7347 Soluble
132 K I -1.1379 Soluble
133 G I -1.3641 Soluble
134 P I -0.5732 Soluble
135 S I -0.2534 Soluble
136 V I 0.0000 Buried
137 F I -0.6033 Soluble
138 P I -1.0506 Soluble
139 L I 0.0000 Buried
140 A I -1.1481 Soluble
141 P I -0.9873 Soluble
142 S I -1.0154 Soluble
143 S I -1.2463 Soluble
144 K I -2.0252 Soluble
145 S I -1.3330 Soluble
146 G I -0.9430 Soluble
147 T I -0.7297 Soluble
148 A I -0.6059 Soluble
149 A I 0.0000 Buried
150 L I 0.0000 Buried
151 G I 0.0000 Buried
152 C I 0.0000 Buried
153 L I 0.0000 Buried
154 V I 0.0000 Buried
155 K I 0.0000 Buried
156 D I -0.4143 Soluble
157 Y I 0.0000 Buried
158 F I 0.0000 Buried
159 P I 0.0000 Buried
160 E I -0.8328 Soluble
161 P I -0.8941 Soluble
162 V I -0.5174 Soluble
163 T I -0.5630 Soluble
164 V I -0.1839 Soluble
165 S I -0.3570 Soluble
166 W I 0.0000 Buried
167 N I -0.7673 Soluble
168 S I -0.6492 Soluble
169 G I -0.4614 Soluble
170 A I -0.1807 Soluble
171 L I 0.0600 Aggregation-prone
172 T I -0.0599 Soluble
173 S I -0.1335 Soluble
174 G I -0.2049 Soluble
175 V I 0.2913 Aggregation-prone
176 H I 0.0000 Buried
177 T I -0.0115 Soluble
178 F I 0.0000 Buried
179 P I -0.1384 Soluble
180 A I 0.2221 Aggregation-prone
181 V I 0.4379 Aggregation-prone
182 L I 1.1489 Aggregation-prone
183 Q I 0.2342 Aggregation-prone
184 S I -0.1246 Soluble
185 S I -0.2438 Soluble
186 G I 0.0091 Aggregation-prone
187 L I 0.1233 Aggregation-prone
188 Y I 0.3728 Aggregation-prone
189 S I 0.0000 Buried
190 L I 0.0000 Buried
191 S I 0.0000 Buried
192 S I 0.0000 Buried
193 V I 0.0000 Buried
194 V I 0.0000 Buried
195 T I -0.1011 Soluble
196 V I 0.0000 Buried
197 P I -0.6039 Soluble
198 S I -0.7627 Soluble
199 S I -0.6049 Soluble
200 S I -0.6345 Soluble
201 L I -0.8268 Soluble
202 G I -1.1384 Soluble
203 T I -0.8443 Soluble
204 Q I -1.5472 Soluble
205 T I -1.3372 Soluble
206 Y I 0.0000 Buried
207 I I -1.5381 Soluble
208 C I 0.0000 Buried
209 N I -1.5550 Soluble
210 V I 0.0000 Buried
211 N I -1.7727 Soluble
212 H I 0.0000 Buried
213 K I -2.8805 Soluble
214 P I -1.6945 Soluble
215 S I -1.8437 Soluble
216 N I -2.6818 Soluble
217 T I -2.2648 Soluble
218 K I -2.7260 Soluble
219 V I -1.9189 Soluble
220 D I -2.7410 Soluble
221 K I -2.2967 Soluble
222 K I -2.7059 Soluble
223 V I 0.0000 Buried
224 E I -2.9630 Soluble
225 P I -2.0562 Soluble
226 K I -2.2902 Soluble
1 D M -2.2754 Soluble
2 I M -1.9198 Soluble
3 Q M -2.1002 Soluble
4 M M 0.0000 Buried
5 T M -1.2369 Soluble
6 Q M 0.0000 Buried
7 S M -0.5757 Soluble
8 P M -0.5015 Soluble
9 S M -0.6941 Soluble
10 S M -0.4681 Soluble
11 L M -0.2691 Soluble
12 S M -0.5488 Soluble
13 A M -0.8263 Soluble
14 S M -0.7168 Soluble
15 V M 0.1204 Aggregation-prone
16 G M -0.8073 Soluble
17 D M -1.7661 Soluble
18 R M -2.3188 Soluble
19 V M 0.0000 Buried
20 T M -0.5713 Soluble
21 I M 0.0000 Buried
22 T M -0.6776 Soluble
23 C M 0.0000 Buried
24 R M -2.4418 Soluble
25 A M 0.0000 Buried
26 S M -2.2257 Soluble
27 Q M -2.8859 Soluble
28 D M -2.7860 Soluble
29 L M 0.0000 Buried
36 A M -1.1862 Soluble
37 T M -0.7851 Soluble
38 D M -0.4988 Soluble
39 V M 0.0000 Buried
40 A M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.5942 Soluble
46 P M -1.2806 Soluble
47 G M -1.6640 Soluble
48 K M -2.5175 Soluble
49 A M -1.5940 Soluble
50 P M 0.0000 Buried
51 K M -1.6895 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M 1.0013 Aggregation-prone
56 S M 0.6834 Aggregation-prone
57 A M 0.0000 Buried
65 S M 0.7681 Aggregation-prone
66 F M 2.1979 Aggregation-prone
67 L M 1.5477 Aggregation-prone
68 Y M 0.7536 Aggregation-prone
69 S M 0.0775 Aggregation-prone
70 G M -0.3831 Soluble
71 V M -0.2319 Soluble
72 P M -0.2704 Soluble
74 S M -0.3850 Soluble
75 R M -0.8671 Soluble
76 F M 0.0000 Buried
77 S M 0.1052 Aggregation-prone
78 G M 0.2126 Aggregation-prone
79 S M -0.4064 Soluble
80 G M -1.0540 Soluble
83 S M -1.0932 Soluble
84 G M -1.7444 Soluble
85 T M -2.1706 Soluble
86 D M -2.3816 Soluble
87 F M 0.0000 Buried
88 T M -0.6911 Soluble
89 L M 0.0000 Buried
90 T M -0.6268 Soluble
91 I M 0.0000 Buried
92 S M -1.5033 Soluble
93 S M -1.2165 Soluble
94 L M 0.0000 Buried
95 Q M -0.9925 Soluble
96 P M -1.4437 Soluble
97 E M -2.0055 Soluble
98 D M 0.0000 Buried
99 F M 0.0000 Buried
100 A M 0.0000 Buried
101 T M -0.5691 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 S M 0.0000 Buried
108 E M -1.0854 Soluble
109 P M -1.0875 Soluble
114 E M -1.7482 Soluble
115 P M -1.5400 Soluble
116 Y M 0.0000 Buried
117 T M -0.9509 Soluble
118 F M -0.4128 Soluble
119 G M 0.0000 Buried
120 Q M -1.7983 Soluble
121 G M -1.1122 Soluble
122 T M 0.0000 Buried
123 K M -0.8851 Soluble
124 V M 0.0000 Buried
125 E M 0.0000 Buried
126 I M 0.0000 Buried
127 K M -0.9849 Soluble
128 R M -0.4951 Soluble
129 T M 0.2653 Aggregation-prone
130 V M 1.2133 Aggregation-prone
131 A M 0.4339 Aggregation-prone
132 A M 0.0033 Aggregation-prone
133 P M 0.0000 Buried
134 S M -0.0715 Soluble
135 V M 0.1441 Aggregation-prone
136 F M 0.0657 Aggregation-prone
137 I M 0.1634 Aggregation-prone
138 F M 0.0000 Buried
139 P M -0.6273 Soluble
140 P M -0.7186 Soluble
141 S M -1.6814 Soluble
142 D M -2.8163 Soluble
143 E M -2.7920 Soluble
144 Q M 0.0000 Buried
145 L M -2.1501 Soluble
146 K M -2.7446 Soluble
147 S M -1.6744 Soluble
148 G M -1.2929 Soluble
149 T M -1.1034 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.8540 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.6032 Soluble
162 R M -3.0883 Soluble
163 E M -3.2547 Soluble
164 A M -2.3387 Soluble
165 K M -2.5830 Soluble
166 V M -1.1164 Soluble
167 Q M -0.4292 Soluble
168 W M 0.0000 Buried
169 K M -0.3628 Soluble
170 V M 0.0000 Buried
171 D M -1.6276 Soluble
172 N M -1.3651 Soluble
173 A M -0.1085 Soluble
174 L M 0.8612 Aggregation-prone
175 Q M 0.0120 Aggregation-prone
176 S M -0.3459 Soluble
177 G M -0.9198 Soluble
178 N M -0.8478 Soluble
179 S M -1.2081 Soluble
180 Q M -1.6554 Soluble
181 E M -2.1646 Soluble
182 S M -0.8598 Soluble
183 V M -0.3533 Soluble
184 T M 0.0000 Buried
185 E M -1.5973 Soluble
186 Q M 0.0000 Buried
187 D M -1.6738 Soluble
188 S M -1.9404 Soluble
189 K M -2.4198 Soluble
190 D M -1.6539 Soluble
191 S M 0.0000 Buried
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.6943 Soluble
199 L M 0.0000 Buried
200 T M -0.3936 Soluble
201 L M -0.5323 Soluble
202 S M -0.9024 Soluble
203 K M -1.8277 Soluble
204 A M -1.6560 Soluble
205 D M -2.1738 Soluble
206 Y M 0.0000 Buried
207 E M -3.1907 Soluble
208 K M -3.3714 Soluble
209 H M -2.9157 Soluble
210 K M -3.0786 Soluble
211 V M -1.5662 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.5668 Soluble
216 V M 0.0000 Buried
217 T M -1.1809 Soluble
218 H M 0.0000 Buried
219 Q M -1.6446 Soluble
220 G M -0.2918 Soluble
221 L M -0.1837 Soluble
222 S M -0.4745 Soluble
223 S M -0.3993 Soluble
224 P M -0.3938 Soluble
225 V M 0.1183 Aggregation-prone
226 T M -0.3121 Soluble
227 K M -0.4696 Soluble
228 S M -0.5676 Soluble
229 F M -0.9288 Soluble
230 N M -2.0522 Soluble
231 R M -2.2917 Soluble
232 G M -1.2711 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
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 -0.6551 3.8439 CSV PDB
4.5 -0.6954 3.8439 CSV PDB
5.0 -0.7434 3.8439 CSV PDB
5.5 -0.7895 3.8439 CSV PDB
6.0 -0.8225 3.8439 CSV PDB
6.5 -0.8337 3.8439 CSV PDB
7.0 -0.8226 3.8439 CSV PDB
7.5 -0.7965 3.8439 CSV PDB
8.0 -0.7621 3.8438 CSV PDB
8.5 -0.7219 3.8437 CSV PDB
9.0 -0.6757 3.8432 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH