Necitumumab / 6b3s

A4DAB177_6b3s_F_G | Source PDB: 6b3s | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6381
Max Score
1.8899
Min Score
-3.8442
Total Score
-272.45
Score CDR
-0.0377
Score non-CDR
-0.7141

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) F (Heavy), G (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 -3.8442
Maximum Score 1.8899
Average Score -0.6381
Total Score -272.4543

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

Index Residue Chain A4D Score Classification
1 Q F -1.6827 Soluble
2 V F -1.1922 Soluble
3 Q F -1.8830 Soluble
4 L F 0.0000 Buried
5 Q F -1.8296 Soluble
6 E F 0.0000 Buried
7 S F -0.6788 Soluble
8 G F -0.5594 Soluble
9 P F -0.2833 Soluble
11 G F 0.0734 Aggregation-prone
12 L F 0.1422 Aggregation-prone
13 V F 0.0000 Buried
14 K F -1.9868 Soluble
15 P F -1.4383 Soluble
16 S F -1.4627 Soluble
17 Q F -2.0129 Soluble
18 T F -1.6247 Soluble
19 L F 0.0000 Buried
20 S F -0.8762 Soluble
21 L F 0.0000 Buried
22 T F -0.6413 Soluble
23 C F 0.0000 Buried
24 T F -1.1722 Soluble
25 V F 0.0000 Buried
26 S F -1.3410 Soluble
27 G F -1.4104 Soluble
28 G F -1.0720 Soluble
29 S F -0.6272 Soluble
30 I F 0.0000 Buried
31 S F -0.0266 Soluble
34 S F -0.1124 Soluble
35 G F 0.1303 Aggregation-prone
36 D F -0.0714 Soluble
37 Y F 0.6271 Aggregation-prone
38 Y F 0.7275 Aggregation-prone
39 W F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 I F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.6663 Soluble
45 P F -0.7982 Soluble
46 P F -0.8996 Soluble
47 G F -1.4907 Soluble
48 K F -2.2428 Soluble
49 G F -1.3487 Soluble
50 L F 0.0000 Buried
51 E F -0.7297 Soluble
52 W F 0.0000 Buried
53 I F 0.0000 Buried
54 G F 0.0000 Buried
55 Y F 0.3185 Aggregation-prone
56 I F 0.0000 Buried
57 Y F 0.5537 Aggregation-prone
58 Y F 0.8681 Aggregation-prone
59 S F 0.0871 Aggregation-prone
63 G F -0.1728 Soluble
64 S F -0.2384 Soluble
65 T F -0.0924 Soluble
66 D F -0.1654 Soluble
67 Y F -0.1364 Soluble
68 N F 0.0000 Buried
69 P F -1.1506 Soluble
70 S F -1.0431 Soluble
71 L F 0.0000 Buried
72 K F -1.9593 Soluble
74 S F -1.2750 Soluble
75 R F -1.3971 Soluble
76 V F 0.0000 Buried
77 T F -0.6420 Soluble
78 M F 0.0000 Buried
79 S F -0.1678 Soluble
80 V F 0.0399 Aggregation-prone
81 D F -0.9111 Soluble
82 T F -0.8365 Soluble
83 S F -1.3019 Soluble
84 K F -2.0946 Soluble
85 N F -1.4188 Soluble
86 Q F -1.1473 Soluble
87 F F 0.0000 Buried
88 S F -0.4453 Soluble
89 L F 0.0000 Buried
90 K F -1.4676 Soluble
91 V F 0.0000 Buried
92 N F -1.6065 Soluble
93 S F -1.2811 Soluble
94 V F 0.0000 Buried
95 T F -0.6681 Soluble
96 A F -0.1833 Soluble
97 A F 0.0570 Aggregation-prone
98 D F 0.0000 Buried
99 T F 0.1861 Aggregation-prone
100 A F 0.0000 Buried
101 V F 0.3696 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F 0.0000 Buried
107 V F 0.6632 Aggregation-prone
108 S F 0.7793 Aggregation-prone
109 I F 1.3658 Aggregation-prone
110 F F 1.8899 Aggregation-prone
111 G F 0.6986 Aggregation-prone
112 V F 0.3010 Aggregation-prone
113 G F 0.7451 Aggregation-prone
114 T F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.2937 Soluble
117 Y F 0.0544 Aggregation-prone
118 W F -0.6620 Soluble
119 G F 0.0000 Buried
120 Q F -1.8934 Soluble
121 G F 0.0000 Buried
122 T F -0.1668 Soluble
123 L F 0.6482 Aggregation-prone
124 V F 0.0000 Buried
125 T F 0.0000 Buried
126 V F 0.0000 Buried
127 S F -0.6049 Soluble
128 S F -0.7968 Soluble
129 A F -0.5591 Soluble
130 S F -0.7192 Soluble
131 T F -0.8815 Soluble
132 K F -1.3350 Soluble
133 G F -1.4994 Soluble
134 P F 0.0000 Buried
135 S F -0.2950 Soluble
136 V F 0.0000 Buried
137 F F -0.3585 Soluble
138 P F -1.0068 Soluble
139 L F 0.0000 Buried
140 A F -0.5776 Soluble
141 P F 0.0000 Buried
142 S F -0.2329 Soluble
143 T F -0.2621 Soluble
144 A F -0.1753 Soluble
145 A F 0.0000 Buried
146 L F 0.0000 Buried
147 G F 0.0000 Buried
148 C F 0.0000 Buried
149 L F 0.0000 Buried
150 V F 0.0000 Buried
151 K F 0.0000 Buried
152 D F -0.4003 Soluble
153 Y F 0.0000 Buried
154 F F 0.0000 Buried
155 P F 0.0000 Buried
156 E F -0.3598 Soluble
157 P F -0.8582 Soluble
158 V F -0.5739 Soluble
159 T F -0.6725 Soluble
160 V F -0.4590 Soluble
161 S F -0.4393 Soluble
162 W F 0.0000 Buried
163 N F -0.7110 Soluble
164 S F -0.6719 Soluble
165 G F -0.5169 Soluble
166 A F -0.2200 Soluble
167 L F 0.0328 Aggregation-prone
168 T F -0.0995 Soluble
169 S F -0.1608 Soluble
170 G F -0.1719 Soluble
171 V F 0.1740 Aggregation-prone
172 H F -0.3183 Soluble
173 T F -0.1728 Soluble
174 F F 0.0000 Buried
175 P F -0.3570 Soluble
176 A F 0.1979 Aggregation-prone
177 V F 0.5191 Aggregation-prone
178 L F 1.3676 Aggregation-prone
179 Q F 0.4015 Aggregation-prone
180 S F 0.0112 Aggregation-prone
181 S F -0.1443 Soluble
182 G F 0.0923 Aggregation-prone
183 L F 0.1534 Aggregation-prone
184 Y F 0.4954 Aggregation-prone
185 S F 0.0000 Buried
186 L F 0.0000 Buried
187 S F 0.0000 Buried
188 S F 0.0000 Buried
189 V F 0.0000 Buried
190 V F 0.0000 Buried
191 T F -0.1348 Soluble
192 V F 0.0000 Buried
193 P F -0.5080 Soluble
194 S F -0.4862 Soluble
195 S F -0.5537 Soluble
196 S F -0.6063 Soluble
197 L F -0.8236 Soluble
198 G F -1.0403 Soluble
199 T F -0.7073 Soluble
200 Q F -1.2491 Soluble
201 T F -1.1354 Soluble
202 Y F 0.0000 Buried
203 I F -1.3238 Soluble
204 C F 0.0000 Buried
205 N F -1.6066 Soluble
206 V F 0.0000 Buried
207 N F -2.2636 Soluble
208 H F 0.0000 Buried
209 K F -2.7902 Soluble
210 P F -1.6954 Soluble
211 S F -1.9001 Soluble
212 N F -2.6483 Soluble
213 T F -2.1628 Soluble
214 K F -2.8397 Soluble
215 V F -1.7872 Soluble
216 D F -2.6183 Soluble
217 K F -2.1624 Soluble
218 K F -2.5320 Soluble
219 V F 0.0000 Buried
220 E F -2.4803 Soluble
221 P F -1.2062 Soluble
1 E G -1.4804 Soluble
2 I G -0.4770 Soluble
3 V G 0.7629 Aggregation-prone
4 M G 0.0000 Buried
5 T G -0.6004 Soluble
6 Q G 0.0000 Buried
7 S G -0.6488 Soluble
8 P G -0.4070 Soluble
9 A G -0.3611 Soluble
10 T G -0.3350 Soluble
11 L G -0.2240 Soluble
12 S G -0.5409 Soluble
13 L G -1.0907 Soluble
14 S G -1.5606 Soluble
15 P G -1.9577 Soluble
16 G G -2.2542 Soluble
17 E G -3.1948 Soluble
18 R G -2.9827 Soluble
19 A G 0.0000 Buried
20 T G -0.5388 Soluble
21 L G 0.0000 Buried
22 S G -0.8710 Soluble
23 C G 0.0000 Buried
24 R G -2.3902 Soluble
25 A G 0.0000 Buried
26 S G -1.0615 Soluble
27 Q G -1.5909 Soluble
28 S G -1.3185 Soluble
29 V G 0.0000 Buried
36 S G -0.6208 Soluble
37 S G -0.2433 Soluble
38 Y G 0.3618 Aggregation-prone
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.4421 Soluble
46 P G -1.2702 Soluble
47 G G -1.4556 Soluble
48 Q G -2.1046 Soluble
49 A G -1.3625 Soluble
50 P G 0.0000 Buried
51 R G -1.6688 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.6462 Soluble
56 D G -1.0003 Soluble
57 A G 0.0000 Buried
65 S G -1.2789 Soluble
66 N G -1.8527 Soluble
67 R G -1.5786 Soluble
68 A G -0.9414 Soluble
69 T G -0.5835 Soluble
70 G G -0.5480 Soluble
71 I G -0.5064 Soluble
72 P G -0.3310 Soluble
74 A G -0.3289 Soluble
75 R G -0.7292 Soluble
76 F G 0.0000 Buried
77 S G -0.7023 Soluble
78 G G -0.8135 Soluble
79 S G -0.9113 Soluble
80 G G -1.1882 Soluble
83 S G -1.0410 Soluble
84 G G -1.1443 Soluble
85 T G -1.8405 Soluble
86 D G -2.2162 Soluble
87 F G 0.0000 Buried
88 T G -0.7893 Soluble
89 L G 0.0000 Buried
90 T G -0.6062 Soluble
91 I G 0.0000 Buried
92 S G -1.5524 Soluble
93 S G -2.0785 Soluble
94 L G 0.0000 Buried
95 E G -2.3221 Soluble
96 P G -1.6713 Soluble
97 E G -2.3192 Soluble
98 D G 0.0000 Buried
99 F G -0.6792 Soluble
100 A G 0.0000 Buried
101 V G -0.2556 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 H G 0.0000 Buried
106 Q G 0.0000 Buried
107 Y G 0.1918 Aggregation-prone
108 G G -0.1803 Soluble
109 S G -0.5203 Soluble
114 T G -0.4573 Soluble
115 P G -0.5523 Soluble
116 L G 0.0038 Aggregation-prone
117 T G 0.0238 Aggregation-prone
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 G G -0.6734 Soluble
121 G G -0.7484 Soluble
122 T G 0.0000 Buried
123 K G -0.7052 Soluble
124 A G 0.0000 Buried
125 E G -0.6318 Soluble
126 I G -0.5535 Soluble
127 K G -1.2015 Soluble
128 R G -0.8703 Soluble
129 T G 0.1468 Aggregation-prone
130 V G 1.0145 Aggregation-prone
131 A G 0.3019 Aggregation-prone
132 A G 0.0864 Aggregation-prone
133 P G 0.0000 Buried
134 S G -0.1043 Soluble
135 V G 0.0000 Buried
136 F G 0.0938 Aggregation-prone
137 I G 0.0782 Aggregation-prone
138 F G 0.0000 Buried
139 P G -0.5796 Soluble
140 P G -0.9018 Soluble
141 S G -1.6586 Soluble
142 D G -3.0625 Soluble
143 E G -3.0316 Soluble
144 Q G 0.0000 Buried
145 L G -2.3299 Soluble
146 K G -2.8631 Soluble
147 S G -1.7670 Soluble
148 G G -1.2288 Soluble
149 T G -1.0349 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G 0.0000 Buried
158 N G -0.8320 Soluble
159 F G 0.0000 Buried
160 Y G 0.0000 Buried
161 P G -1.6158 Soluble
162 R G -2.9595 Soluble
163 E G -3.2698 Soluble
164 A G -2.3504 Soluble
165 K G -2.3437 Soluble
166 V G -1.1459 Soluble
167 Q G -0.7513 Soluble
168 W G 0.0000 Buried
169 K G -0.7234 Soluble
170 V G 0.0000 Buried
171 D G -2.0083 Soluble
172 N G -1.4184 Soluble
173 A G -0.3836 Soluble
174 L G 0.4554 Aggregation-prone
175 Q G -0.3876 Soluble
176 S G -0.7328 Soluble
177 G G -1.1840 Soluble
178 N G -1.3906 Soluble
179 S G -1.4354 Soluble
180 Q G -1.5460 Soluble
181 E G -1.9806 Soluble
182 S G 0.0000 Buried
183 V G -0.9366 Soluble
184 T G -1.2352 Soluble
185 E G -2.3123 Soluble
186 Q G -1.8863 Soluble
187 D G -1.8662 Soluble
188 S G -1.6325 Soluble
189 K G -2.1660 Soluble
190 D G -1.5274 Soluble
191 S G -1.6246 Soluble
192 T G 0.0000 Buried
193 Y G 0.0000 Buried
194 S G 0.0000 Buried
195 L G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -0.7467 Soluble
199 L G 0.0000 Buried
200 T G -0.6057 Soluble
201 L G -0.8581 Soluble
202 S G -1.1664 Soluble
203 K G -2.1646 Soluble
204 A G -2.0833 Soluble
205 D G -2.9318 Soluble
206 Y G 0.0000 Buried
207 E G -3.7902 Soluble
208 K G -3.8442 Soluble
209 H G -3.2064 Soluble
210 K G -3.0879 Soluble
211 V G -1.5581 Soluble
212 Y G 0.0000 Buried
213 A G 0.0000 Buried
214 C G 0.0000 Buried
215 E G -0.9815 Soluble
216 V G 0.0000 Buried
217 T G -1.2223 Soluble
218 H G 0.0000 Buried
219 Q G -1.2759 Soluble
220 G G -0.2211 Soluble
221 L G -0.1525 Soluble
222 S G -0.4459 Soluble
223 S G -0.4408 Soluble
224 P G -0.5593 Soluble
225 V G -0.0195 Soluble
226 T G -0.5347 Soluble
227 K G -0.7600 Soluble
228 S G -0.6437 Soluble
229 F G -0.7668 Soluble
230 N G -1.7292 Soluble
231 R G -2.2045 Soluble
232 G G -1.5281 Soluble
233 A G -0.5520 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 -0.6304 4.7832 CSV PDB
4.5 -0.6708 4.736 CSV PDB
5.0 -0.7172 4.679 CSV PDB
5.5 -0.7604 4.6179 CSV PDB
6.0 -0.7897 4.5554 CSV PDB
6.5 -0.7971 4.4924 CSV PDB
7.0 -0.7825 4.4295 CSV PDB
7.5 -0.7531 4.3672 CSV PDB
8.0 -0.7155 4.3066 CSV PDB
8.5 -0.672 4.251 CSV PDB
9.0 -0.6228 4.2066 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH