Necitumumab / 3b2u

A4DAB177_3b2u_N_O | Source PDB: 3b2u | Chains: N, O | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.638
Max Score
1.9286
Min Score
-3.3276
Total Score
-274.98
Score CDR
0.0074
Score non-CDR
-0.7189

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) N (Heavy), O (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 -3.3276
Maximum Score 1.9286
Average Score -0.638
Total Score -274.9799

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

Index Residue Chain A4D Score Classification
1 Q N -1.5080 Soluble
2 V N -0.8689 Soluble
3 Q N -1.4055 Soluble
4 L N 0.0000 Buried
5 Q N -1.4456 Soluble
6 E N 0.0000 Buried
7 S N -0.6349 Soluble
8 G N -0.3181 Soluble
9 P N -0.1440 Soluble
11 G N 0.3182 Aggregation-prone
12 L N 0.3678 Aggregation-prone
13 V N -0.7654 Soluble
14 K N -1.9971 Soluble
15 P N -1.4650 Soluble
16 S N -1.5096 Soluble
17 Q N -2.0448 Soluble
18 T N -1.6297 Soluble
19 L N 0.0000 Buried
20 S N -0.8192 Soluble
21 L N 0.0000 Buried
22 T N -0.5394 Soluble
23 C N 0.0000 Buried
24 T N -1.0867 Soluble
25 V N 0.0000 Buried
26 S N -1.1775 Soluble
27 G N -1.2229 Soluble
28 G N -0.9957 Soluble
29 S N -0.8274 Soluble
30 I N 0.0000 Buried
31 S N -0.1010 Soluble
34 S N -0.2005 Soluble
35 G N 0.1532 Aggregation-prone
36 D N -0.0638 Soluble
37 Y N 0.6693 Aggregation-prone
38 Y N 0.7791 Aggregation-prone
39 W N 0.0000 Buried
40 S N 0.0000 Buried
41 W N 0.0000 Buried
42 I N 0.0000 Buried
43 R N 0.0000 Buried
44 Q N -0.5735 Soluble
45 P N -0.6939 Soluble
46 P N -0.8557 Soluble
47 G N -1.4774 Soluble
48 K N -2.2557 Soluble
49 G N -1.3572 Soluble
50 L N 0.0000 Buried
51 E N -0.6461 Soluble
52 W N 0.0000 Buried
53 I N 0.0000 Buried
54 G N 0.0000 Buried
55 Y N 0.3423 Aggregation-prone
56 I N 0.0000 Buried
57 Y N 0.6593 Aggregation-prone
58 Y N 1.1043 Aggregation-prone
59 S N 0.1516 Aggregation-prone
63 G N -0.1117 Soluble
64 S N -0.2153 Soluble
65 T N -0.0553 Soluble
66 D N -0.1508 Soluble
67 Y N -0.0543 Soluble
68 N N 0.0000 Buried
69 P N -1.1113 Soluble
70 S N -1.0412 Soluble
71 L N 0.0000 Buried
72 K N -1.9609 Soluble
74 S N -1.2842 Soluble
75 R N -1.4364 Soluble
76 V N 0.0000 Buried
77 T N -0.6957 Soluble
78 M N 0.0000 Buried
79 S N -0.2579 Soluble
80 V N 0.0106 Aggregation-prone
81 D N -1.2622 Soluble
82 T N -0.9607 Soluble
83 S N -1.3842 Soluble
84 K N -2.1806 Soluble
85 N N -1.5415 Soluble
86 Q N -1.2123 Soluble
87 F N 0.0000 Buried
88 S N -0.4107 Soluble
89 L N 0.0000 Buried
90 K N -1.5230 Soluble
91 V N 0.0000 Buried
92 N N -1.7153 Soluble
93 S N -1.3730 Soluble
94 V N 0.0000 Buried
95 T N -0.6973 Soluble
96 A N -0.2166 Soluble
97 A N 0.0461 Aggregation-prone
98 D N 0.0000 Buried
99 T N 0.3431 Aggregation-prone
100 A N 0.0000 Buried
101 V N 0.6663 Aggregation-prone
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 A N 0.0000 Buried
106 R N 0.0000 Buried
107 V N 0.7235 Aggregation-prone
108 S N 0.8082 Aggregation-prone
109 I N 1.4193 Aggregation-prone
110 F N 1.9286 Aggregation-prone
111 G N 0.7255 Aggregation-prone
112 V N 0.4789 Aggregation-prone
113 G N 0.8705 Aggregation-prone
114 T N 0.0000 Buried
115 F N 0.0000 Buried
116 D N -0.2167 Soluble
117 Y N 0.3029 Aggregation-prone
118 W N -0.3771 Soluble
119 G N 0.0000 Buried
120 Q N -1.8276 Soluble
121 G N -0.7068 Soluble
122 T N 0.1976 Aggregation-prone
123 L N 1.4288 Aggregation-prone
124 V N 0.0000 Buried
125 T N 0.1519 Aggregation-prone
126 V N 0.0000 Buried
127 S N -0.6342 Soluble
128 S N -0.8396 Soluble
129 A N -0.5824 Soluble
130 S N -0.6154 Soluble
131 T N -0.9298 Soluble
132 K N -1.4370 Soluble
133 G N -1.6392 Soluble
134 P N -0.7684 Soluble
135 S N -0.3656 Soluble
136 V N 0.0000 Buried
137 F N -0.6720 Soluble
138 P N -1.0737 Soluble
139 L N 0.0000 Buried
140 A N -1.1173 Soluble
141 P N 0.0000 Buried
142 S N -0.6962 Soluble
143 G N -0.8635 Soluble
144 G N -0.8628 Soluble
145 T N -0.5782 Soluble
146 A N 0.0000 Buried
147 A N 0.0000 Buried
148 L N 0.0000 Buried
149 G N 0.0000 Buried
150 C N 0.0000 Buried
151 L N 0.0000 Buried
152 V N 0.0000 Buried
153 K N -0.3380 Soluble
154 D N -0.6366 Soluble
155 Y N 0.0000 Buried
156 F N 0.0000 Buried
157 P N -1.1704 Soluble
158 E N -1.5859 Soluble
159 P N -1.2861 Soluble
160 V N -0.7232 Soluble
161 T N -0.4937 Soluble
162 V N -0.2336 Soluble
163 S N -0.4937 Soluble
164 W N 0.0000 Buried
165 N N -0.9092 Soluble
166 S N -0.7666 Soluble
167 G N -0.6462 Soluble
168 A N -0.2999 Soluble
169 L N -0.0538 Soluble
170 T N -0.1550 Soluble
171 S N -0.1719 Soluble
172 G N -0.1715 Soluble
173 V N 0.1965 Aggregation-prone
174 H N -0.1988 Soluble
175 T N 0.1843 Aggregation-prone
176 F N 0.0000 Buried
177 P N -0.2077 Soluble
178 A N 0.2139 Aggregation-prone
179 V N 0.4146 Aggregation-prone
180 L N 1.2489 Aggregation-prone
181 Q N 0.2013 Aggregation-prone
182 S N -0.0370 Soluble
183 S N -0.2057 Soluble
184 G N -0.0365 Soluble
185 L N -0.0731 Soluble
186 Y N 0.1505 Aggregation-prone
187 S N 0.0000 Buried
188 L N 0.2895 Aggregation-prone
189 S N 0.0000 Buried
190 S N 0.0000 Buried
191 V N 0.0000 Buried
192 V N 0.0000 Buried
193 T N -0.0974 Soluble
194 V N 0.0000 Buried
195 P N -0.5626 Soluble
196 S N -0.6235 Soluble
197 S N -0.7205 Soluble
198 S N -0.6236 Soluble
199 L N -0.7877 Soluble
200 G N -1.1668 Soluble
201 T N -0.7076 Soluble
202 Q N -1.2603 Soluble
203 T N -1.1927 Soluble
204 Y N 0.0000 Buried
205 I N -1.3619 Soluble
206 C N 0.0000 Buried
207 N N -1.7041 Soluble
208 V N 0.0000 Buried
209 N N -2.0353 Soluble
210 H N 0.0000 Buried
211 K N -2.8289 Soluble
212 P N -1.8159 Soluble
213 S N -1.8921 Soluble
214 N N -2.4692 Soluble
215 T N -2.1081 Soluble
216 K N -2.7587 Soluble
217 V N -1.8122 Soluble
218 D N -2.7387 Soluble
219 K N -2.2008 Soluble
220 K N -2.6962 Soluble
221 V N 0.0000 Buried
222 E N -2.9369 Soluble
223 P N -1.9726 Soluble
224 K N -2.3362 Soluble
225 S N -1.2914 Soluble
1 E O -1.4701 Soluble
2 I O -0.2464 Soluble
3 V O 0.8301 Aggregation-prone
4 M O 0.0000 Buried
5 T O -0.6049 Soluble
6 Q O 0.0000 Buried
7 S O -0.6823 Soluble
8 P O -0.3850 Soluble
9 A O -0.3272 Soluble
10 T O -0.2580 Soluble
11 L O -0.1693 Soluble
12 S O -0.5359 Soluble
13 L O 0.0000 Buried
14 S O -1.3146 Soluble
15 P O -1.6353 Soluble
16 G O -1.7997 Soluble
17 E O -2.3860 Soluble
18 R O -2.6301 Soluble
19 A O 0.0000 Buried
20 T O -0.5921 Soluble
21 L O 0.0000 Buried
22 S O -0.8825 Soluble
23 C O 0.0000 Buried
24 R O -2.3763 Soluble
25 A O -1.2303 Soluble
26 S O -1.0193 Soluble
27 Q O -1.6737 Soluble
28 S O -1.2653 Soluble
29 V O 0.0000 Buried
36 S O -0.5768 Soluble
37 S O -0.1639 Soluble
38 Y O 0.6066 Aggregation-prone
39 L O 0.0000 Buried
40 A O 0.0000 Buried
41 W O 0.0000 Buried
42 Y O 0.0000 Buried
43 Q O 0.0000 Buried
44 Q O -1.0554 Soluble
45 K O -1.3758 Soluble
46 P O -1.0291 Soluble
47 G O -1.4220 Soluble
48 Q O -2.1637 Soluble
49 A O -1.3906 Soluble
50 P O 0.0000 Buried
51 R O -1.7269 Soluble
52 L O -0.7479 Soluble
53 L O 0.0000 Buried
54 I O 0.0000 Buried
55 Y O -0.5493 Soluble
56 D O -0.8412 Soluble
57 A O 0.0000 Buried
65 S O -1.3027 Soluble
66 N O -1.9081 Soluble
67 R O -1.9545 Soluble
68 A O -0.9033 Soluble
69 T O -0.6563 Soluble
70 G O -0.6119 Soluble
71 I O -0.6272 Soluble
72 P O -0.4654 Soluble
74 A O -0.4963 Soluble
75 R O -0.8088 Soluble
76 F O 0.0000 Buried
77 S O -0.9138 Soluble
78 G O -0.9168 Soluble
79 S O -0.9843 Soluble
80 G O -1.3700 Soluble
83 S O -0.9130 Soluble
84 G O -1.1346 Soluble
85 T O -1.8312 Soluble
86 D O -2.3663 Soluble
87 F O 0.0000 Buried
88 T O -0.8291 Soluble
89 L O 0.0000 Buried
90 T O -0.6583 Soluble
91 I O 0.0000 Buried
92 S O -1.4736 Soluble
93 S O -1.7680 Soluble
94 L O 0.0000 Buried
95 E O -1.9979 Soluble
96 P O -1.5698 Soluble
97 E O -2.2410 Soluble
98 D O 0.0000 Buried
99 F O -0.5321 Soluble
100 A O 0.0000 Buried
101 V O -0.1664 Soluble
102 Y O 0.0000 Buried
103 Y O 0.0000 Buried
104 C O 0.0000 Buried
105 H O 0.0000 Buried
106 Q O 0.0000 Buried
107 Y O 0.2139 Aggregation-prone
108 G O -0.0970 Soluble
109 S O -0.4115 Soluble
114 T O -0.4680 Soluble
115 P O -0.5525 Soluble
116 L O 0.0486 Aggregation-prone
117 T O 0.0753 Aggregation-prone
118 F O 0.3235 Aggregation-prone
119 G O 0.0000 Buried
120 G O -0.6662 Soluble
121 G O -0.6771 Soluble
122 T O 0.0000 Buried
123 K O -0.5539 Soluble
124 A O 0.0000 Buried
125 E O 0.0000 Buried
126 I O -0.4197 Soluble
127 K O -1.2621 Soluble
128 R O -1.0555 Soluble
129 T O -0.0078 Soluble
130 V O 0.7673 Aggregation-prone
131 A O 0.3020 Aggregation-prone
132 A O 0.0025 Aggregation-prone
133 P O 0.0000 Buried
134 S O -0.1257 Soluble
135 V O 0.0000 Buried
136 F O 0.2279 Aggregation-prone
137 I O 0.2397 Aggregation-prone
138 F O 0.0000 Buried
139 P O -0.4497 Soluble
140 P O -0.8455 Soluble
141 S O -1.8167 Soluble
142 D O -2.9855 Soluble
143 E O -3.1962 Soluble
144 Q O 0.0000 Buried
145 L O -2.1013 Soluble
146 K O -2.8534 Soluble
147 S O -1.7719 Soluble
148 G O -1.3015 Soluble
149 T O -0.8299 Soluble
150 A O 0.0000 Buried
151 S O 0.0000 Buried
152 V O 0.0000 Buried
153 V O 0.0000 Buried
154 C O 0.0000 Buried
155 L O 0.0000 Buried
156 L O 0.0000 Buried
157 N O 0.0000 Buried
158 N O -0.7023 Soluble
159 F O 0.0000 Buried
160 Y O 0.0000 Buried
161 P O -1.1176 Soluble
162 R O -1.4943 Soluble
163 E O -2.7085 Soluble
164 A O -2.0682 Soluble
165 K O -2.4541 Soluble
166 V O -1.3631 Soluble
167 Q O -1.1025 Soluble
168 W O 0.0000 Buried
169 K O -1.0627 Soluble
170 V O 0.0000 Buried
171 D O -1.6881 Soluble
172 N O -1.4068 Soluble
173 A O -0.3750 Soluble
174 L O 0.4186 Aggregation-prone
175 Q O -0.5476 Soluble
176 S O -0.8238 Soluble
177 G O -1.4342 Soluble
178 N O -1.8453 Soluble
179 S O -1.9157 Soluble
180 Q O -2.2529 Soluble
181 E O -2.0678 Soluble
182 S O -0.4518 Soluble
183 V O 0.3913 Aggregation-prone
184 T O -0.4805 Soluble
185 E O -1.8682 Soluble
186 Q O -1.7191 Soluble
187 D O -2.1398 Soluble
188 S O -1.7950 Soluble
189 K O -2.3529 Soluble
190 D O -1.8285 Soluble
191 S O -1.7363 Soluble
192 T O 0.0000 Buried
193 Y O 0.0000 Buried
194 S O 0.0000 Buried
195 L O 0.0000 Buried
196 S O 0.0000 Buried
197 S O 0.0000 Buried
198 T O -0.9427 Soluble
199 L O 0.0000 Buried
200 T O -0.7271 Soluble
201 L O -0.7452 Soluble
202 S O -0.9714 Soluble
203 K O -2.0090 Soluble
204 A O -1.7915 Soluble
205 D O -2.1650 Soluble
206 Y O 0.0000 Buried
207 E O -3.2898 Soluble
208 K O -3.3276 Soluble
209 H O -2.4922 Soluble
210 K O -2.0698 Soluble
211 V O -0.8370 Soluble
212 Y O 0.0000 Buried
213 A O -0.8098 Soluble
214 C O 0.0000 Buried
215 E O -1.4682 Soluble
216 V O 0.0000 Buried
217 T O -1.3226 Soluble
218 H O 0.0000 Buried
219 Q O -1.5024 Soluble
220 G O -0.3715 Soluble
221 L O -0.3216 Soluble
222 S O -0.4850 Soluble
223 S O -0.3730 Soluble
224 P O -0.5830 Soluble
225 V O -0.0569 Soluble
226 T O -0.6414 Soluble
227 K O -0.6473 Soluble
228 S O -0.5432 Soluble
229 F O -0.4627 Soluble
230 N O -1.3478 Soluble
231 R O -1.7808 Soluble
232 G O -1.1539 Soluble
233 A O -0.6733 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 -0.6167 4.8132 CSV PDB
4.5 -0.656 4.7742 CSV PDB
5.0 -0.7021 4.7244 CSV PDB
5.5 -0.7448 4.6698 CSV PDB
6.0 -0.7728 4.6134 CSV PDB
6.5 -0.7782 4.5564 CSV PDB
7.0 -0.7613 4.4995 CSV PDB
7.5 -0.73 4.4428 CSV PDB
8.0 -0.6909 4.3873 CSV PDB
8.5 -0.6466 4.3352 CSV PDB
9.0 -0.5973 4.2915 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH