Necitumumab / 3b2u

A4DAB177_3b2u_T_U | Source PDB: 3b2u | Chains: T, U | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6133
Max Score
1.8846
Min Score
-3.7867
Total Score
-263.12
Score CDR
0.0155
Score non-CDR
-0.6926

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) T (Heavy), U (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 -3.7867
Maximum Score 1.8846
Average Score -0.6133
Total Score -263.1219

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

Index Residue Chain A4D Score Classification
1 Q T -1.5000 Soluble
2 V T -0.8587 Soluble
3 Q T -1.6487 Soluble
4 L T 0.0000 Buried
5 Q T -1.5437 Soluble
6 E T 0.0000 Buried
7 S T -0.8342 Soluble
8 G T -0.4775 Soluble
9 P T -0.1957 Soluble
11 G T 0.2507 Aggregation-prone
12 L T 0.6169 Aggregation-prone
13 V T -0.5052 Soluble
14 K T -1.5971 Soluble
15 P T -1.2861 Soluble
16 S T -1.4405 Soluble
17 Q T -2.0215 Soluble
18 T T -1.5962 Soluble
19 L T 0.0000 Buried
20 S T -0.8065 Soluble
21 L T 0.0000 Buried
22 T T -0.7077 Soluble
23 C T 0.0000 Buried
24 T T -1.2241 Soluble
25 V T 0.0000 Buried
26 S T -1.2056 Soluble
27 G T -1.2448 Soluble
28 G T -1.0630 Soluble
29 S T -0.8494 Soluble
30 I T 0.0000 Buried
31 S T -0.2738 Soluble
34 S T -0.1536 Soluble
35 G T 0.1475 Aggregation-prone
36 D T -0.0793 Soluble
37 Y T 0.5580 Aggregation-prone
38 Y T 0.7020 Aggregation-prone
39 W T 0.0000 Buried
40 S T 0.0000 Buried
41 W T 0.0000 Buried
42 I T 0.0000 Buried
43 R T 0.0000 Buried
44 Q T -0.6659 Soluble
45 P T -0.7676 Soluble
46 P T -0.8843 Soluble
47 G T -1.4744 Soluble
48 K T -2.2581 Soluble
49 G T -1.4077 Soluble
50 L T 0.0000 Buried
51 E T -0.7203 Soluble
52 W T 0.0000 Buried
53 I T 0.0000 Buried
54 G T 0.0000 Buried
55 Y T 0.2981 Aggregation-prone
56 I T 0.0000 Buried
57 Y T 0.6561 Aggregation-prone
58 Y T 1.1057 Aggregation-prone
59 S T 0.1699 Aggregation-prone
63 G T -0.1149 Soluble
64 S T -0.1706 Soluble
65 T T -0.0661 Soluble
66 D T -0.2007 Soluble
67 Y T -0.0980 Soluble
68 N T 0.0000 Buried
69 P T -1.0762 Soluble
70 S T -1.0352 Soluble
71 L T 0.0000 Buried
72 K T -1.9575 Soluble
74 S T -1.2993 Soluble
75 R T -1.4440 Soluble
76 V T 0.0000 Buried
77 T T -0.6441 Soluble
78 M T 0.0000 Buried
79 S T -0.3503 Soluble
80 V T -0.5070 Soluble
81 D T -2.2761 Soluble
82 T T -1.4764 Soluble
83 S T -1.6622 Soluble
84 K T -2.4897 Soluble
85 N T -1.8160 Soluble
86 Q T -1.6193 Soluble
87 F T 0.0000 Buried
88 S T -0.5687 Soluble
89 L T 0.0000 Buried
90 K T -1.4026 Soluble
91 V T 0.0000 Buried
92 N T -1.7266 Soluble
93 S T -1.3537 Soluble
94 V T 0.0000 Buried
95 T T -0.6492 Soluble
96 A T -0.1719 Soluble
97 A T 0.0437 Aggregation-prone
98 D T 0.0000 Buried
99 T T 0.2754 Aggregation-prone
100 A T 0.0000 Buried
101 V T 0.3967 Aggregation-prone
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 A T 0.0000 Buried
106 R T 0.1314 Aggregation-prone
107 V T 0.5946 Aggregation-prone
108 S T 0.7354 Aggregation-prone
109 I T 1.3552 Aggregation-prone
110 F T 1.8846 Aggregation-prone
111 G T 0.7118 Aggregation-prone
112 V T 0.3081 Aggregation-prone
113 G T 0.8318 Aggregation-prone
114 T T 0.0000 Buried
115 F T 0.0000 Buried
116 D T -0.2000 Soluble
117 Y T 0.2431 Aggregation-prone
118 W T -0.5149 Soluble
119 G T 0.0000 Buried
120 Q T -1.8402 Soluble
121 G T -0.7625 Soluble
122 T T -0.0371 Soluble
123 L T 0.8859 Aggregation-prone
124 V T 0.0000 Buried
125 T T 0.2457 Aggregation-prone
126 V T 0.0000 Buried
127 S T -0.4753 Soluble
128 S T -0.6282 Soluble
129 A T -0.5825 Soluble
130 S T -0.5346 Soluble
131 T T -0.7575 Soluble
132 K T -1.3662 Soluble
133 G T -1.4871 Soluble
134 P T -0.5271 Soluble
135 S T -0.1158 Soluble
136 V T 0.0000 Buried
137 F T -0.4934 Soluble
138 P T -0.8982 Soluble
139 L T 0.0000 Buried
140 A T -1.0970 Soluble
141 P T 0.0000 Buried
142 S T -0.8145 Soluble
143 S T -0.6418 Soluble
144 T T -0.2818 Soluble
145 A T -0.1816 Soluble
146 A T 0.0000 Buried
147 L T 0.0000 Buried
148 G T 0.0000 Buried
149 C T 0.0000 Buried
150 L T 0.0000 Buried
151 V T 0.0000 Buried
152 K T 0.0000 Buried
153 D T -0.6653 Soluble
154 Y T 0.0000 Buried
155 F T 0.0000 Buried
156 P T -0.7861 Soluble
157 E T -0.9235 Soluble
158 P T -0.9429 Soluble
159 V T -0.5230 Soluble
160 T T -0.5280 Soluble
161 V T -0.3561 Soluble
162 S T -0.3430 Soluble
163 W T 0.0000 Buried
164 N T -0.7100 Soluble
165 S T -0.6349 Soluble
166 G T -0.4710 Soluble
167 A T -0.2092 Soluble
168 L T 0.0230 Aggregation-prone
169 T T -0.1605 Soluble
170 S T -0.1827 Soluble
171 G T -0.2414 Soluble
172 V T 0.2057 Aggregation-prone
173 H T -0.0999 Soluble
174 T T 0.0633 Aggregation-prone
175 F T 0.0000 Buried
176 P T -0.2591 Soluble
177 A T 0.2386 Aggregation-prone
178 V T 0.6028 Aggregation-prone
179 L T 1.4158 Aggregation-prone
180 Q T 0.2667 Aggregation-prone
181 S T -0.0447 Soluble
182 S T -0.2192 Soluble
183 G T -0.0430 Soluble
184 L T 0.0527 Aggregation-prone
185 Y T 0.3787 Aggregation-prone
186 S T 0.0000 Buried
187 L T 0.3230 Aggregation-prone
188 S T 0.0000 Buried
189 S T 0.0000 Buried
190 V T 0.0000 Buried
191 V T 0.0000 Buried
192 T T -0.1443 Soluble
193 V T 0.0000 Buried
194 P T -0.4122 Soluble
195 S T -0.4687 Soluble
196 S T -0.5340 Soluble
197 S T -0.6041 Soluble
198 L T -0.7645 Soluble
199 G T -1.1042 Soluble
200 T T -0.8017 Soluble
201 Q T -1.2683 Soluble
202 T T -1.1874 Soluble
203 Y T 0.0000 Buried
204 I T -1.0710 Soluble
205 C T 0.0000 Buried
206 N T -1.0751 Soluble
207 V T 0.0000 Buried
208 N T -1.5680 Soluble
209 H T 0.0000 Buried
210 K T -2.7322 Soluble
211 P T -1.7040 Soluble
212 S T -1.8420 Soluble
213 N T -2.5651 Soluble
214 T T -1.7609 Soluble
215 K T -1.9375 Soluble
216 V T -0.1845 Soluble
217 D T -1.8688 Soluble
218 K T -1.7165 Soluble
219 K T -2.3399 Soluble
220 V T 0.0000 Buried
221 E T -2.7588 Soluble
222 P T -2.0290 Soluble
223 K T -2.3228 Soluble
1 E U -1.4562 Soluble
2 I U -0.2449 Soluble
3 V U 0.7839 Aggregation-prone
4 M U 0.0000 Buried
5 T U -0.4637 Soluble
6 Q U 0.0000 Buried
7 S U -0.6509 Soluble
8 P U -0.3589 Soluble
9 A U -0.3051 Soluble
10 T U -0.2375 Soluble
11 L U -0.1295 Soluble
12 S U -0.3907 Soluble
13 L U -0.6967 Soluble
14 S U -1.1141 Soluble
15 P U -1.4304 Soluble
16 G U -1.5032 Soluble
17 E U -1.9333 Soluble
18 R U -2.4013 Soluble
19 A U 0.0000 Buried
20 T U -0.5322 Soluble
21 L U 0.0000 Buried
22 S U -0.8586 Soluble
23 C U 0.0000 Buried
24 R U -2.4413 Soluble
25 A U 0.0000 Buried
26 S U -1.0320 Soluble
27 Q U -1.5543 Soluble
28 S U -1.2810 Soluble
29 V U 0.0000 Buried
36 S U -0.4894 Soluble
37 S U -0.0109 Soluble
38 Y U 0.7637 Aggregation-prone
39 L U 0.0000 Buried
40 A U 0.0000 Buried
41 W U 0.0000 Buried
42 Y U 0.0000 Buried
43 Q U 0.0000 Buried
44 Q U -1.0513 Soluble
45 K U -1.5119 Soluble
46 P U -1.3053 Soluble
47 G U -1.4543 Soluble
48 Q U -2.1355 Soluble
49 A U -1.3067 Soluble
50 P U 0.0000 Buried
51 R U -1.4285 Soluble
52 L U 0.0000 Buried
53 L U 0.0000 Buried
54 I U 0.0000 Buried
55 Y U -0.4783 Soluble
56 D U -0.5669 Soluble
57 A U 0.0000 Buried
65 S U -1.0966 Soluble
66 N U -1.5924 Soluble
67 R U -1.8688 Soluble
68 A U -1.0283 Soluble
69 T U -0.6640 Soluble
70 G U -0.6208 Soluble
71 I U -0.6095 Soluble
72 P U -0.4311 Soluble
74 A U -0.4418 Soluble
75 R U -0.7864 Soluble
76 F U 0.0000 Buried
77 S U -0.7986 Soluble
78 G U -0.7928 Soluble
79 S U -0.8753 Soluble
80 G U -1.2335 Soluble
83 S U -1.0707 Soluble
84 G U -1.1321 Soluble
85 T U -1.8956 Soluble
86 D U -2.2943 Soluble
87 F U 0.0000 Buried
88 T U -0.8310 Soluble
89 L U 0.0000 Buried
90 T U -0.6396 Soluble
91 I U 0.0000 Buried
92 S U -1.3989 Soluble
93 S U -1.6225 Soluble
94 L U 0.0000 Buried
95 E U -1.9577 Soluble
96 P U -1.5880 Soluble
97 E U -2.2587 Soluble
98 D U 0.0000 Buried
99 F U -0.6226 Soluble
100 A U 0.0000 Buried
101 V U -0.1133 Soluble
102 Y U 0.0000 Buried
103 Y U 0.0000 Buried
104 C U 0.0000 Buried
105 H U 0.0000 Buried
106 Q U 0.0000 Buried
107 Y U 0.3212 Aggregation-prone
108 G U 0.0703 Aggregation-prone
109 S U -0.3178 Soluble
114 T U -0.4464 Soluble
115 P U -0.5763 Soluble
116 L U 0.0289 Aggregation-prone
117 T U -0.0207 Soluble
118 F U 0.0000 Buried
119 G U 0.0000 Buried
120 G U -0.6092 Soluble
121 G U -0.6440 Soluble
122 T U 0.0000 Buried
123 K U -0.3407 Soluble
124 A U 0.0000 Buried
125 E U -0.2749 Soluble
126 I U -0.3504 Soluble
127 K U -1.0689 Soluble
128 R U -0.8325 Soluble
129 T U 0.1009 Aggregation-prone
130 V U 0.7821 Aggregation-prone
131 A U 0.3314 Aggregation-prone
132 A U -0.0153 Soluble
133 P U 0.0000 Buried
134 S U -0.1310 Soluble
135 V U 0.0000 Buried
136 F U 0.0998 Aggregation-prone
137 I U 0.0504 Aggregation-prone
138 F U 0.0000 Buried
139 P U -0.5835 Soluble
140 P U -0.7321 Soluble
141 S U -1.6790 Soluble
142 D U -2.8040 Soluble
143 E U -2.7236 Soluble
144 Q U 0.0000 Buried
145 L U -2.1255 Soluble
146 K U -2.6666 Soluble
147 S U -1.6971 Soluble
148 G U -1.1189 Soluble
149 T U -0.9056 Soluble
150 A U 0.0000 Buried
151 S U 0.0000 Buried
152 V U 0.0000 Buried
153 V U 0.0000 Buried
154 C U 0.0000 Buried
155 L U 0.0000 Buried
156 L U 0.0000 Buried
157 N U 0.0000 Buried
158 N U -0.9540 Soluble
159 F U 0.0000 Buried
160 Y U 0.0000 Buried
161 P U -1.5981 Soluble
162 R U -2.7495 Soluble
163 E U -3.2592 Soluble
164 A U -2.2988 Soluble
165 K U -2.1311 Soluble
166 V U -1.1116 Soluble
167 Q U -0.8217 Soluble
168 W U 0.0000 Buried
169 K U -0.8163 Soluble
170 V U 0.0000 Buried
171 D U -1.9662 Soluble
172 N U -1.6516 Soluble
173 A U -0.5308 Soluble
174 L U 0.2088 Aggregation-prone
175 Q U -0.3626 Soluble
176 S U -0.5288 Soluble
177 G U -0.9291 Soluble
178 N U -0.8513 Soluble
179 S U -1.3097 Soluble
180 Q U -1.7071 Soluble
181 E U -2.0724 Soluble
182 S U -0.8579 Soluble
183 V U -0.7368 Soluble
184 T U -1.1630 Soluble
185 E U -2.2160 Soluble
186 Q U -1.9109 Soluble
187 D U -2.0617 Soluble
188 S U -1.7821 Soluble
189 K U -2.3516 Soluble
190 D U -1.9337 Soluble
191 S U 0.0000 Buried
192 T U 0.0000 Buried
193 Y U 0.0000 Buried
194 S U 0.0000 Buried
195 L U 0.0000 Buried
196 S U 0.0000 Buried
197 S U 0.0000 Buried
198 T U -0.7513 Soluble
199 L U 0.0000 Buried
200 T U -0.3265 Soluble
201 L U -0.6232 Soluble
202 S U -0.9687 Soluble
203 K U -1.9069 Soluble
204 A U -1.8354 Soluble
205 D U -2.5512 Soluble
206 Y U 0.0000 Buried
207 E U -3.7386 Soluble
208 K U -3.7867 Soluble
209 H U -3.2373 Soluble
210 K U -3.1858 Soluble
211 V U -1.3591 Soluble
212 Y U 0.0000 Buried
213 A U 0.0000 Buried
214 C U 0.0000 Buried
215 E U -1.0286 Soluble
216 V U 0.0000 Buried
217 T U -1.1523 Soluble
218 H U 0.0000 Buried
219 Q U -1.2974 Soluble
220 G U -0.2727 Soluble
221 L U -0.1055 Soluble
222 S U -0.4290 Soluble
223 S U -0.3668 Soluble
224 P U -0.4780 Soluble
225 V U 0.0161 Aggregation-prone
226 T U -0.5569 Soluble
227 K U -0.8601 Soluble
228 S U -0.6828 Soluble
229 F U -0.7266 Soluble
230 N U -1.4881 Soluble
231 R U -2.3048 Soluble
232 G U -1.4500 Soluble
233 A U -0.7666 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
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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 -0.5969 4.8414 CSV PDB
4.5 -0.6344 4.838 CSV PDB
5.0 -0.6786 4.8283 CSV PDB
5.5 -0.7194 4.8057 CSV PDB
6.0 -0.7463 4.7658 CSV PDB
6.5 -0.7518 4.7127 CSV PDB
7.0 -0.7366 4.6532 CSV PDB
7.5 -0.7082 4.5913 CSV PDB
8.0 -0.6731 4.5286 CSV PDB
8.5 -0.6332 4.4657 CSV PDB
9.0 -0.5883 4.4031 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH