Necitumumab / 3b2u

A4DAB177_3b2u_J_K | Source PDB: 3b2u | Chains: J, K | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6608
Max Score
1.8634
Min Score
-3.483
Total Score
-284.16
Score CDR
-0.037
Score non-CDR
-0.7392

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) J (Heavy), K (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 -3.483
Maximum Score 1.8634
Average Score -0.6608
Total Score -284.1647

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

Index Residue Chain A4D Score Classification
1 Q J -1.6474 Soluble
2 V J -1.1615 Soluble
3 Q J -1.9019 Soluble
4 L J 0.0000 Buried
5 Q J -1.8015 Soluble
6 E J 0.0000 Buried
7 S J -0.5881 Soluble
8 G J -0.5139 Soluble
9 P J -0.3002 Soluble
11 G J 0.1520 Aggregation-prone
12 L J 0.2083 Aggregation-prone
13 V J 0.0000 Buried
14 K J -2.0877 Soluble
15 P J -1.4844 Soluble
16 S J -1.5052 Soluble
17 Q J -2.0229 Soluble
18 T J -1.5537 Soluble
19 L J 0.0000 Buried
20 S J -0.8159 Soluble
21 L J 0.0000 Buried
22 T J -0.5487 Soluble
23 C J 0.0000 Buried
24 T J -1.1687 Soluble
25 V J 0.0000 Buried
26 S J -1.3900 Soluble
27 G J -1.4033 Soluble
28 G J -1.1926 Soluble
29 S J -0.9223 Soluble
30 I J 0.0000 Buried
31 S J -0.1666 Soluble
34 S J -0.1929 Soluble
35 G J 0.1257 Aggregation-prone
36 D J -0.0751 Soluble
37 Y J 0.6129 Aggregation-prone
38 Y J 0.7610 Aggregation-prone
39 W J 0.0000 Buried
40 S J 0.0000 Buried
41 W J 0.0000 Buried
42 I J 0.0000 Buried
43 R J -0.1876 Soluble
44 Q J -0.6803 Soluble
45 P J -0.7711 Soluble
46 P J -0.8759 Soluble
47 G J -1.4709 Soluble
48 K J -2.2465 Soluble
49 G J -1.3725 Soluble
50 L J 0.0000 Buried
51 E J -0.7387 Soluble
52 W J 0.0000 Buried
53 I J 0.0000 Buried
54 G J 0.0000 Buried
55 Y J 0.3304 Aggregation-prone
56 I J 0.0000 Buried
57 Y J 0.6409 Aggregation-prone
58 Y J 1.0831 Aggregation-prone
59 S J 0.1574 Aggregation-prone
63 G J -0.1044 Soluble
64 S J -0.2261 Soluble
65 T J -0.0696 Soluble
66 D J -0.1588 Soluble
67 Y J -0.0387 Soluble
68 N J 0.0000 Buried
69 P J -1.0554 Soluble
70 S J -1.0109 Soluble
71 L J 0.0000 Buried
72 K J -1.9474 Soluble
74 S J -1.2612 Soluble
75 R J -1.3277 Soluble
76 V J 0.0000 Buried
77 T J -0.5338 Soluble
78 M J 0.0000 Buried
79 S J -0.2607 Soluble
80 V J -0.3329 Soluble
81 D J -1.9775 Soluble
82 T J -1.3544 Soluble
83 S J -1.6144 Soluble
84 K J -2.4007 Soluble
85 N J -1.7758 Soluble
86 Q J -1.5314 Soluble
87 F J 0.0000 Buried
88 S J -0.4786 Soluble
89 L J 0.0000 Buried
90 K J -1.2284 Soluble
91 V J 0.0000 Buried
92 N J -1.5106 Soluble
93 S J -1.2532 Soluble
94 V J 0.0000 Buried
95 T J -0.6932 Soluble
96 A J -0.2001 Soluble
97 A J 0.0512 Aggregation-prone
98 D J 0.0000 Buried
99 T J 0.2546 Aggregation-prone
100 A J 0.0000 Buried
101 V J 0.5099 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 R J 0.0000 Buried
107 V J 0.7124 Aggregation-prone
108 S J 0.8113 Aggregation-prone
109 I J 1.3335 Aggregation-prone
110 F J 1.8634 Aggregation-prone
111 G J 0.7497 Aggregation-prone
112 V J 0.4888 Aggregation-prone
113 G J 0.7808 Aggregation-prone
114 T J 0.0000 Buried
115 F J 0.0000 Buried
116 D J -0.0388 Soluble
117 Y J 0.0117 Aggregation-prone
118 W J -0.6243 Soluble
119 G J 0.0000 Buried
120 Q J -1.8374 Soluble
121 G J 0.0000 Buried
122 T J 0.0772 Aggregation-prone
123 L J 1.2273 Aggregation-prone
124 V J 0.0000 Buried
125 T J 0.0793 Aggregation-prone
126 V J 0.0000 Buried
127 S J -0.6990 Soluble
128 S J -0.8466 Soluble
129 A J -0.5059 Soluble
130 S J -0.4721 Soluble
131 T J -0.6703 Soluble
132 K J -1.0241 Soluble
133 G J -1.3557 Soluble
134 P J -0.5843 Soluble
135 S J -0.2472 Soluble
136 V J 0.0000 Buried
137 F J -0.6253 Soluble
138 P J -0.7986 Soluble
139 L J 0.0000 Buried
140 A J -1.0160 Soluble
141 P J 0.0000 Buried
142 S J -0.5855 Soluble
143 S J -0.5772 Soluble
144 G J -0.5914 Soluble
145 T J -0.4164 Soluble
146 A J -0.2408 Soluble
147 A J 0.0000 Buried
148 L J 0.0000 Buried
149 G J 0.0000 Buried
150 C J 0.0000 Buried
151 L J 0.0000 Buried
152 V J 0.0000 Buried
153 K J -0.2796 Soluble
154 D J -0.3857 Soluble
155 Y J 0.0000 Buried
156 F J 0.0000 Buried
157 P J -0.9911 Soluble
158 E J -1.5222 Soluble
159 P J -1.2370 Soluble
160 V J -0.6467 Soluble
161 T J -0.6601 Soluble
162 V J -0.1544 Soluble
163 S J -0.3870 Soluble
164 W J 0.0000 Buried
165 N J -0.7753 Soluble
166 S J -0.6660 Soluble
167 G J -0.4752 Soluble
168 A J -0.2149 Soluble
169 L J 0.0351 Aggregation-prone
170 T J -0.0809 Soluble
171 S J -0.1294 Soluble
172 G J -0.0566 Soluble
173 V J 0.2997 Aggregation-prone
174 H J -0.0825 Soluble
175 T J 0.0812 Aggregation-prone
176 F J 0.0000 Buried
177 P J -0.4489 Soluble
178 A J 0.0443 Aggregation-prone
179 V J 0.4647 Aggregation-prone
180 L J 1.1772 Aggregation-prone
181 Q J 0.2478 Aggregation-prone
182 S J -0.0473 Soluble
183 S J -0.1644 Soluble
184 G J 0.0545 Aggregation-prone
185 L J 0.0520 Aggregation-prone
186 Y J 0.2594 Aggregation-prone
187 S J 0.1935 Aggregation-prone
188 L J 0.2777 Aggregation-prone
189 S J 0.0000 Buried
190 S J 0.0000 Buried
191 V J 0.0000 Buried
192 V J 0.0000 Buried
193 T J -0.0772 Soluble
194 V J 0.0000 Buried
195 P J -0.3644 Soluble
196 S J -0.4999 Soluble
197 S J -0.5753 Soluble
198 S J -0.5873 Soluble
199 L J -0.8303 Soluble
200 G J -1.1277 Soluble
201 T J -0.7823 Soluble
202 Q J -1.3698 Soluble
203 T J -1.2081 Soluble
204 Y J 0.0000 Buried
205 I J -1.2950 Soluble
206 C J 0.0000 Buried
207 N J -1.6776 Soluble
208 V J 0.0000 Buried
209 N J -1.9380 Soluble
210 H J 0.0000 Buried
211 K J -2.8289 Soluble
212 P J -1.7134 Soluble
213 S J -1.7839 Soluble
214 N J -2.5429 Soluble
215 T J -2.0507 Soluble
216 K J -2.7514 Soluble
217 V J -1.7756 Soluble
218 D J -2.6835 Soluble
219 K J -2.2029 Soluble
220 K J -2.4837 Soluble
221 V J 0.0000 Buried
222 E J -2.9067 Soluble
223 P J -2.1589 Soluble
224 K J -2.3158 Soluble
1 E K -1.5860 Soluble
2 I K 0.0000 Buried
3 V K 0.7258 Aggregation-prone
4 M K 0.0000 Buried
5 T K -0.6060 Soluble
6 Q K 0.0000 Buried
7 S K -0.7102 Soluble
8 P K -0.3689 Soluble
9 A K -0.3198 Soluble
10 T K -0.2668 Soluble
11 L K -0.1567 Soluble
12 S K -0.5650 Soluble
13 L K -1.0287 Soluble
14 S K -1.4823 Soluble
15 P K -1.8081 Soluble
16 G K -2.0202 Soluble
17 E K -2.8057 Soluble
18 R K -2.8129 Soluble
19 A K 0.0000 Buried
20 T K -0.6194 Soluble
21 L K 0.0000 Buried
22 S K -0.8506 Soluble
23 C K 0.0000 Buried
24 R K -2.3726 Soluble
25 A K 0.0000 Buried
26 S K -1.0952 Soluble
27 Q K -1.7520 Soluble
28 S K -1.3006 Soluble
29 V K 0.0000 Buried
36 S K -0.6159 Soluble
37 S K -0.2325 Soluble
38 Y K 0.4138 Aggregation-prone
39 L K 0.0000 Buried
40 A K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K -0.8598 Soluble
44 Q K -1.1671 Soluble
45 K K -1.5315 Soluble
46 P K -1.0955 Soluble
47 G K -1.4606 Soluble
48 Q K -2.1643 Soluble
49 A K -1.4260 Soluble
50 P K 0.0000 Buried
51 R K -1.5266 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.7061 Soluble
56 D K -1.0635 Soluble
57 A K 0.0000 Buried
65 S K -1.3231 Soluble
66 N K -1.9074 Soluble
67 R K -1.9604 Soluble
68 A K -1.0225 Soluble
69 T K -0.6620 Soluble
70 G K -0.5966 Soluble
71 I K -0.5537 Soluble
72 P K -0.4231 Soluble
74 A K -0.4581 Soluble
75 R K -0.8037 Soluble
76 F K 0.0000 Buried
77 S K -0.8427 Soluble
78 G K -0.8736 Soluble
79 S K -0.8773 Soluble
80 G K -1.2055 Soluble
83 S K -0.8755 Soluble
84 G K -1.1255 Soluble
85 T K -1.8250 Soluble
86 D K -2.3352 Soluble
87 F K 0.0000 Buried
88 T K -0.7569 Soluble
89 L K 0.0000 Buried
90 T K -0.6169 Soluble
91 I K 0.0000 Buried
92 S K -1.5607 Soluble
93 S K -2.0858 Soluble
94 L K 0.0000 Buried
95 E K -2.1608 Soluble
96 P K -1.6408 Soluble
97 E K -2.2856 Soluble
98 D K 0.0000 Buried
99 F K -0.6308 Soluble
100 A K 0.0000 Buried
101 V K -0.2569 Soluble
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 H K 0.0000 Buried
106 Q K 0.0000 Buried
107 Y K 0.1452 Aggregation-prone
108 G K -0.1013 Soluble
109 S K -0.5960 Soluble
114 T K -0.5218 Soluble
115 P K -0.5997 Soluble
116 L K 0.0017 Aggregation-prone
117 T K 0.0302 Aggregation-prone
118 F K 0.3277 Aggregation-prone
119 G K 0.0000 Buried
120 G K -0.6251 Soluble
121 G K 0.0000 Buried
122 T K 0.0000 Buried
123 K K -0.4968 Soluble
124 A K -0.2186 Soluble
125 E K -0.6065 Soluble
126 I K -0.6172 Soluble
127 K K -1.3712 Soluble
128 R K -0.8825 Soluble
129 T K 0.2506 Aggregation-prone
130 V K 1.1880 Aggregation-prone
131 A K 0.4989 Aggregation-prone
132 A K 0.0330 Aggregation-prone
133 P K 0.0000 Buried
134 S K -0.1303 Soluble
135 V K 0.0000 Buried
136 F K 0.0295 Aggregation-prone
137 I K 0.0000 Buried
138 F K 0.0000 Buried
139 P K -0.5898 Soluble
140 P K 0.0000 Buried
141 S K -1.7839 Soluble
142 D K -2.9077 Soluble
143 E K -3.0608 Soluble
144 Q K 0.0000 Buried
145 L K -2.1980 Soluble
146 K K -2.8286 Soluble
147 S K -1.7737 Soluble
148 G K -1.1039 Soluble
149 T K -0.8460 Soluble
150 A K 0.0000 Buried
151 S K 0.0000 Buried
152 V K 0.0000 Buried
153 V K 0.0000 Buried
154 C K 0.0000 Buried
155 L K 0.0000 Buried
156 L K 0.0000 Buried
157 N K 0.0000 Buried
158 N K -0.9104 Soluble
159 F K 0.0000 Buried
160 Y K 0.0000 Buried
161 P K -1.6340 Soluble
162 R K -2.9712 Soluble
163 E K -3.2427 Soluble
164 A K -2.2616 Soluble
165 K K -2.0905 Soluble
166 V K -1.0333 Soluble
167 Q K -0.7190 Soluble
168 W K 0.0000 Buried
169 K K -0.9086 Soluble
170 V K 0.0000 Buried
171 D K -1.9742 Soluble
172 N K -1.6287 Soluble
173 A K -0.4851 Soluble
174 L K 0.2627 Aggregation-prone
175 Q K -0.5761 Soluble
176 S K -0.8053 Soluble
177 G K -1.3469 Soluble
178 N K -1.7108 Soluble
179 S K -1.6651 Soluble
180 Q K -1.8012 Soluble
181 E K -2.0493 Soluble
182 S K 0.0000 Buried
183 V K -0.8100 Soluble
184 T K -1.1562 Soluble
185 E K -2.2996 Soluble
186 Q K -2.0467 Soluble
187 D K -2.2597 Soluble
188 S K -1.8801 Soluble
189 K K -2.4876 Soluble
190 D K -2.0934 Soluble
191 S K -1.9422 Soluble
192 T K 0.0000 Buried
193 Y K 0.0000 Buried
194 S K 0.0000 Buried
195 L K 0.0000 Buried
196 S K 0.0000 Buried
197 S K 0.0000 Buried
198 T K -0.8590 Soluble
199 L K 0.0000 Buried
200 T K -0.5653 Soluble
201 L K -0.7688 Soluble
202 S K -1.0120 Soluble
203 K K -1.9486 Soluble
204 A K -1.7646 Soluble
205 D K -2.4179 Soluble
206 Y K 0.0000 Buried
207 E K -3.2867 Soluble
208 K K -3.4830 Soluble
209 H K -3.0000 Soluble
210 K K -3.1491 Soluble
211 V K -1.4799 Soluble
212 Y K 0.0000 Buried
213 A K -0.8940 Soluble
214 C K 0.0000 Buried
215 E K -1.2602 Soluble
216 V K 0.0000 Buried
217 T K -1.2695 Soluble
218 H K 0.0000 Buried
219 Q K -1.2842 Soluble
220 G K -0.3144 Soluble
221 L K -0.3405 Soluble
222 S K -0.4921 Soluble
223 S K -0.4093 Soluble
224 P K -0.6186 Soluble
225 V K -0.2743 Soluble
226 T K -0.6958 Soluble
227 K K -0.9545 Soluble
228 S K -0.8355 Soluble
229 F K -0.9677 Soluble
230 N K -2.0209 Soluble
231 R K -2.2561 Soluble
232 G K -1.4173 Soluble
233 A K -0.7226 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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 -0.6583 4.7948 CSV PDB
4.5 -0.6992 4.7528 CSV PDB
5.0 -0.7469 4.6959 CSV PDB
5.5 -0.7912 4.6315 CSV PDB
6.0 -0.8207 4.5642 CSV PDB
6.5 -0.8271 4.496 CSV PDB
7.0 -0.811 4.4276 CSV PDB
7.5 -0.7803 4.3594 CSV PDB
8.0 -0.7417 4.2922 CSV PDB
8.5 -0.6978 4.2281 CSV PDB
9.0 -0.6485 4.1721 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH