Duligotuzumab / 3p11

A4DAB092_3p11_H_L | Source PDB: 3p11 | Chains: H, L | Done
98.68
Yes
10 Å
Yes
Avg A4D Score
-0.7003
Max Score
2.1429
Min Score
-3.7479
Total Score
-300.41
Score CDR
-0.3204
Score non-CDR
-0.7481

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTLSGDWIHWVRQAPGKGLEWLGEISAAGGYTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARESRVSFEAAMDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRASQDLATDVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSEPEPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.7479
Maximum Score 2.1429
Average Score -0.7003
Total Score -300.411

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

Index Residue Chain A4D Score Classification
1 E H -2.1018 Soluble
2 V H -1.2251 Soluble
3 Q H -1.4019 Soluble
4 L H 0.0000 Buried
5 V H 0.4439 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6082 Soluble
8 G H -0.9393 Soluble
9 G H -0.4834 Soluble
11 G H -0.2804 Soluble
12 L H -0.0377 Soluble
13 V H -0.6162 Soluble
14 Q H -1.5925 Soluble
15 P H -1.8235 Soluble
16 G H -1.6230 Soluble
17 G H -1.2479 Soluble
18 S H -1.2477 Soluble
19 L H -1.1927 Soluble
20 R H -2.1715 Soluble
21 L H 0.0000 Buried
22 S H -0.5522 Soluble
23 C H 0.0000 Buried
24 A H -0.1626 Soluble
25 A H -0.3879 Soluble
26 S H -0.7372 Soluble
27 G H -1.1090 Soluble
28 F H -0.4301 Soluble
29 T H -0.2514 Soluble
30 L H 0.0000 Buried
35 S H -0.7169 Soluble
36 G H -0.5614 Soluble
37 D H 0.0000 Buried
38 W H 0.0023 Aggregation-prone
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 -0.3390 Soluble
44 Q H -0.8028 Soluble
45 A H -1.2067 Soluble
46 P H -0.9556 Soluble
47 G H -1.4612 Soluble
48 K H -2.3450 Soluble
49 G H -1.5847 Soluble
50 L H 0.0000 Buried
51 E H -0.9031 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 -0.5192 Soluble
59 A H -0.2866 Soluble
62 G H -0.3668 Soluble
63 G H -0.2965 Soluble
64 Y H 0.8558 Aggregation-prone
65 T H 0.2345 Aggregation-prone
66 D H -0.8052 Soluble
67 Y H -1.4728 Soluble
68 A H 0.0000 Buried
69 D H -2.7310 Soluble
70 S H -1.6907 Soluble
71 V H 0.0000 Buried
72 K H -2.8693 Soluble
74 G H -1.9443 Soluble
75 R H -1.7816 Soluble
76 F H 0.0000 Buried
77 T H -1.0622 Soluble
78 I H 0.0000 Buried
79 S H -0.4239 Soluble
80 A H -1.2864 Soluble
81 D H -2.4932 Soluble
82 T H -1.7689 Soluble
83 S H -1.6759 Soluble
84 K H -2.4874 Soluble
85 N H -1.6637 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.4157 Soluble
91 M H 0.0000 Buried
92 N H -1.7622 Soluble
93 S H -1.5673 Soluble
94 L H 0.0000 Buried
95 R H -2.8798 Soluble
96 A H -1.9944 Soluble
97 E H -2.4343 Soluble
98 D H 0.0000 Buried
99 T H -0.8656 Soluble
100 A H 0.0000 Buried
101 V H 0.0584 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 0.0000 Buried
107 E H -0.1290 Soluble
108 S H -0.2126 Soluble
109 R H -0.8508 Soluble
110 V H 1.0040 Aggregation-prone
111 S H 1.0615 Aggregation-prone
112A F H 1.5790 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 -0.3535 Soluble
117 Y H -0.1710 Soluble
118 W H -0.4653 Soluble
119 G H 0.0000 Buried
120 Q H -1.5172 Soluble
121 G H -0.7633 Soluble
122 T H 0.0000 Buried
123 L H 0.0547 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.0200 Soluble
128 S H -0.6654 Soluble
129 A H -0.4536 Soluble
130 S H -0.6011 Soluble
131 T H -0.8436 Soluble
132 K H -1.4813 Soluble
133 G H -1.6974 Soluble
134 P H 0.0000 Buried
135 S H -0.3572 Soluble
136 V H 0.0000 Buried
137 F H -0.4846 Soluble
138 P H -0.9436 Soluble
139 L H 0.0000 Buried
140 A H -1.0800 Soluble
141 P H 0.0000 Buried
142 S H -0.7450 Soluble
143 S H -0.6228 Soluble
144 G H -0.6232 Soluble
145 T H -0.4985 Soluble
146 A H -0.2658 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 -0.7101 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.5039 Soluble
159 P H -0.6943 Soluble
160 V H -0.3525 Soluble
161 T H -0.5155 Soluble
162 V H -0.1489 Soluble
163 S H -0.3775 Soluble
164 W H 0.0000 Buried
165 N H -0.7350 Soluble
166 S H -0.6519 Soluble
167 G H -0.4782 Soluble
168 A H -0.1899 Soluble
169 L H 0.0140 Aggregation-prone
170 T H -0.1616 Soluble
171 S H -0.2267 Soluble
172 G H -0.3207 Soluble
173 V H 0.1272 Aggregation-prone
174 H H -0.2981 Soluble
175 T H 0.0101 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.1883 Soluble
178 A H 0.2643 Aggregation-prone
179 V H 0.5848 Aggregation-prone
180 L H 0.9966 Aggregation-prone
181 Q H 0.1419 Aggregation-prone
182 S H -0.2330 Soluble
183 S H -0.2764 Soluble
184 G H -0.0063 Soluble
185 L H 0.0132 Aggregation-prone
186 Y H 0.2791 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 -0.1740 Soluble
194 V H 0.0000 Buried
195 P H -0.4697 Soluble
196 S H -0.5125 Soluble
197 S H -0.5665 Soluble
198 S H -0.5650 Soluble
199 L H -0.8102 Soluble
200 G H -1.1068 Soluble
201 T H -0.7264 Soluble
202 Q H -1.3144 Soluble
203 T H -1.1792 Soluble
204 Y H 0.0000 Buried
205 I H -1.3346 Soluble
206 C H 0.0000 Buried
207 N H -1.5350 Soluble
208 V H 0.0000 Buried
209 N H -1.8033 Soluble
210 H H 0.0000 Buried
211 K H -2.7786 Soluble
212 P H -1.6441 Soluble
213 S H -1.9647 Soluble
214 N H -2.6750 Soluble
215 T H -2.3391 Soluble
216 K H -2.7822 Soluble
217 V H -1.8543 Soluble
218 D H -2.6869 Soluble
219 K H -2.3098 Soluble
220 K H -2.6351 Soluble
221 V H 0.0000 Buried
222 E H -2.9030 Soluble
223 P H -1.9660 Soluble
224 K H -2.3448 Soluble
225 S H -1.2450 Soluble
1 D L -2.1613 Soluble
2 I L -1.7326 Soluble
3 Q L -1.9893 Soluble
4 M L 0.0000 Buried
5 T L -1.4319 Soluble
6 Q L 0.0000 Buried
7 S L -0.9086 Soluble
8 P L -0.6760 Soluble
9 S L -0.9128 Soluble
10 S L -0.8671 Soluble
11 L L -0.6078 Soluble
12 S L -0.9862 Soluble
13 A L -1.1320 Soluble
14 S L -1.0895 Soluble
15 V L -0.1414 Soluble
16 G L -0.9508 Soluble
17 D L -2.0418 Soluble
18 R L -2.4157 Soluble
19 V L 0.0000 Buried
20 T L -0.5121 Soluble
21 I L 0.0000 Buried
22 T L -0.7888 Soluble
23 C L 0.0000 Buried
24 R L -2.8183 Soluble
25 A L 0.0000 Buried
26 S L -2.1818 Soluble
27 Q L -2.7262 Soluble
28 D L -2.7722 Soluble
29 L L 0.0000 Buried
36 A L -1.2284 Soluble
37 T L -0.9585 Soluble
38 D L -0.9186 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 -0.9637 Soluble
44 Q L -1.3150 Soluble
45 K L -1.7243 Soluble
46 P L -1.3751 Soluble
47 G L -1.6688 Soluble
48 K L -2.5849 Soluble
49 A L -1.6397 Soluble
50 P L 0.0000 Buried
51 K L -1.4074 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.0378 Aggregation-prone
56 S L 0.5418 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.6724 Aggregation-prone
66 F L 2.1429 Aggregation-prone
67 L L 1.4639 Aggregation-prone
68 Y L 0.7715 Aggregation-prone
69 S L -0.0154 Soluble
70 G L -0.4737 Soluble
71 V L 0.0000 Buried
72 P L -0.3864 Soluble
74 S L -0.4208 Soluble
75 R L -0.8608 Soluble
76 F L 0.0000 Buried
77 S L 0.0371 Aggregation-prone
78 G L 0.1484 Aggregation-prone
79 S L -0.3950 Soluble
80 G L -0.9953 Soluble
83 S L -1.2137 Soluble
84 G L -1.7638 Soluble
85 T L -2.0728 Soluble
86 D L -2.0090 Soluble
87 F L 0.0000 Buried
88 T L -0.7324 Soluble
89 L L 0.0000 Buried
90 T L -0.6229 Soluble
91 I L 0.0000 Buried
92 S L -1.5090 Soluble
93 S L -1.2462 Soluble
94 L L 0.0000 Buried
95 Q L -1.0695 Soluble
96 P L -1.4167 Soluble
97 E L -1.6199 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L 0.0000 Buried
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 -1.6079 Soluble
109 P L -1.0364 Soluble
114 E L -1.3842 Soluble
115 P L -1.4073 Soluble
116 Y L 0.0000 Buried
117 T L -1.0344 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7331 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.5047 Soluble
124 V L 0.0000 Buried
125 E L -1.4954 Soluble
126 I L 0.0000 Buried
127 K L -1.4820 Soluble
128 R L -0.9770 Soluble
129 T L -0.1631 Soluble
130 V L 0.2609 Aggregation-prone
131 A L 0.1106 Aggregation-prone
132 A L -0.0818 Soluble
133 P L 0.0000 Buried
134 S L -0.1113 Soluble
135 V L 0.0000 Buried
136 F L 0.0498 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7432 Soluble
140 P L -0.7058 Soluble
141 S L -1.3183 Soluble
142 D L -2.5390 Soluble
143 E L -2.1979 Soluble
144 Q L 0.0000 Buried
145 L L -1.9329 Soluble
146 K L -2.5660 Soluble
147 S L -1.4974 Soluble
148 G L -1.2586 Soluble
149 T L -0.9635 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 -0.3831 Soluble
158 N L -0.6761 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7763 Soluble
162 R L -2.8297 Soluble
163 E L -3.2552 Soluble
164 A L -2.4392 Soluble
165 K L -2.3933 Soluble
166 V L -1.7901 Soluble
167 Q L -1.4811 Soluble
168 W L 0.0000 Buried
169 K L -0.8102 Soluble
170 V L 0.0000 Buried
171 D L -1.2524 Soluble
172 N L -1.1729 Soluble
173 A L -0.1552 Soluble
174 L L 0.5764 Aggregation-prone
175 Q L -0.3908 Soluble
176 S L -0.5816 Soluble
177 G L -0.9443 Soluble
178 N L -0.8679 Soluble
179 S L -1.1493 Soluble
180 Q L -1.2688 Soluble
181 E L -1.3671 Soluble
182 S L 0.0000 Buried
183 V L -0.4523 Soluble
184 T L -0.8577 Soluble
185 E L -1.6865 Soluble
186 Q L 0.0000 Buried
187 D L -1.7697 Soluble
188 S L -1.9426 Soluble
189 K L -2.3749 Soluble
190 D L -1.7124 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 -0.5630 Soluble
199 L L 0.0000 Buried
200 T L -0.2958 Soluble
201 L L -0.5506 Soluble
202 S L -1.1967 Soluble
203 K L -2.1470 Soluble
204 A L -2.0695 Soluble
205 D L -2.9839 Soluble
206 Y L 0.0000 Buried
207 E L -3.5728 Soluble
208 K L -3.7479 Soluble
209 H L -3.2369 Soluble
210 K L -3.3107 Soluble
211 V L -1.7131 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0382 Soluble
216 V L 0.0000 Buried
217 T L -1.2786 Soluble
218 H L 0.0000 Buried
219 Q L -1.5578 Soluble
220 G L -0.4170 Soluble
221 L L -0.2655 Soluble
222 S L -0.4508 Soluble
223 S L -0.3487 Soluble
224 P L -0.5159 Soluble
225 V L 0.1450 Aggregation-prone
226 T L -0.4952 Soluble
227 K L -0.7221 Soluble
228 S L -0.6950 Soluble
229 F L -1.2444 Soluble
230 N L -2.5974 Soluble
231 R L -3.3212 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 -0.7303 3.7528 CSV PDB
4.5 -0.773 3.7528 CSV PDB
5.0 -0.823 3.7528 CSV PDB
5.5 -0.8703 3.7528 CSV PDB
6.0 -0.9039 3.7528 CSV PDB
6.5 -0.9157 3.7528 CSV PDB
7.0 -0.9061 3.7528 CSV PDB
7.5 -0.8828 3.7528 CSV PDB
8.0 -0.8521 3.7527 CSV PDB
8.5 -0.8158 3.7526 CSV PDB
9.0 -0.7729 3.7523 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH