Necitumumab / 6b3s

A4DAB177_6b3s_J_K | Source PDB: 6b3s | Chains: J, K | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6279
Max Score
1.8798
Min Score
-3.5128
Total Score
-267.47
Score CDR
-0.0368
Score non-CDR
-0.7029

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.5128
Maximum Score 1.8798
Average Score -0.6279
Total Score -267.4651

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

Index Residue Chain A4D Score Classification
1 Q J -1.7074 Soluble
2 V J -1.2568 Soluble
3 Q J -1.8800 Soluble
4 L J 0.0000 Buried
5 Q J -1.5797 Soluble
6 E J 0.0000 Buried
7 S J -0.8047 Soluble
8 G J -0.5929 Soluble
9 P J -0.3085 Soluble
11 G J 0.0399 Aggregation-prone
12 L J 0.0633 Aggregation-prone
13 V J 0.0000 Buried
14 K J -2.1110 Soluble
15 P J -1.5250 Soluble
16 S J -1.4800 Soluble
17 Q J -2.0104 Soluble
18 T J -1.6855 Soluble
19 L J 0.0000 Buried
20 S J -1.0101 Soluble
21 L J 0.0000 Buried
22 T J -0.6539 Soluble
23 C J 0.0000 Buried
24 T J -1.1280 Soluble
25 V J 0.0000 Buried
26 S J -1.4960 Soluble
27 G J -1.4489 Soluble
28 G J -1.1586 Soluble
29 S J -0.7943 Soluble
30 I J 0.0000 Buried
31 S J -0.0087 Soluble
34 S J -0.1491 Soluble
35 G J 0.0839 Aggregation-prone
36 D J -0.1482 Soluble
37 Y J 0.6007 Aggregation-prone
38 Y J 0.7201 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 0.0000 Buried
44 Q J -0.6551 Soluble
45 P J -0.7732 Soluble
46 P J -0.8834 Soluble
47 G J -1.4996 Soluble
48 K J -2.2499 Soluble
49 G J -1.3266 Soluble
50 L J 0.0000 Buried
51 E J -0.7068 Soluble
52 W J 0.0000 Buried
53 I J 0.0000 Buried
54 G J 0.0000 Buried
55 Y J 0.2781 Aggregation-prone
56 I J 0.0000 Buried
57 Y J 0.5648 Aggregation-prone
58 Y J 0.9095 Aggregation-prone
59 S J 0.0925 Aggregation-prone
63 G J -0.1467 Soluble
64 S J -0.2272 Soluble
65 T J -0.1041 Soluble
66 D J -0.2137 Soluble
67 Y J -0.1594 Soluble
68 N J 0.0000 Buried
69 P J -1.1254 Soluble
70 S J -1.0166 Soluble
71 L J 0.0000 Buried
72 K J -1.9613 Soluble
74 S J -1.2932 Soluble
75 R J -1.4853 Soluble
76 V J 0.0000 Buried
77 T J -0.7710 Soluble
78 M J 0.0000 Buried
79 S J -0.1719 Soluble
80 V J 0.0988 Aggregation-prone
81 D J -0.8717 Soluble
82 T J -0.8462 Soluble
83 S J -1.2861 Soluble
84 K J -2.0997 Soluble
85 N J -1.4208 Soluble
86 Q J -1.1002 Soluble
87 F J 0.0000 Buried
88 S J -0.4976 Soluble
89 L J 0.0000 Buried
90 K J -1.7604 Soluble
91 V J 0.0000 Buried
92 N J -1.7083 Soluble
93 S J -1.2974 Soluble
94 V J 0.0000 Buried
95 T J -0.7113 Soluble
96 A J -0.2368 Soluble
97 A J 0.0486 Aggregation-prone
98 D J 0.0000 Buried
99 T J 0.2069 Aggregation-prone
100 A J 0.0000 Buried
101 V J 0.3803 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 0.5451 Aggregation-prone
108 S J 0.6834 Aggregation-prone
109 I J 1.3774 Aggregation-prone
110 F J 1.8798 Aggregation-prone
111 G J 0.6216 Aggregation-prone
112 V J 0.2829 Aggregation-prone
113 G J 0.7661 Aggregation-prone
114 T J 0.0000 Buried
115 F J 0.0000 Buried
116 D J -0.6292 Soluble
117 Y J -0.2134 Soluble
118 W J -0.7114 Soluble
119 G J 0.0000 Buried
120 Q J -1.7741 Soluble
121 G J -0.7821 Soluble
122 T J -0.0822 Soluble
123 L J 0.8040 Aggregation-prone
124 V J 0.0000 Buried
125 T J 0.0000 Buried
126 V J 0.0000 Buried
127 S J -0.6752 Soluble
128 S J -0.8726 Soluble
129 A J -0.6550 Soluble
130 S J -0.5656 Soluble
131 T J -0.7810 Soluble
132 K J -1.3666 Soluble
133 G J -1.4160 Soluble
134 P J 0.0000 Buried
135 S J -0.1923 Soluble
136 V J 0.0000 Buried
137 F J -0.4926 Soluble
138 P J -0.9234 Soluble
139 L J 0.0000 Buried
140 A J -0.8143 Soluble
141 P J -0.5207 Soluble
142 T J -0.2807 Soluble
143 A J -0.1518 Soluble
144 A J 0.0000 Buried
145 L J 0.0000 Buried
146 G J 0.0000 Buried
147 C J 0.0000 Buried
148 L J 0.0000 Buried
149 V J 0.0000 Buried
150 K J 0.0000 Buried
151 D J -0.3825 Soluble
152 Y J 0.0000 Buried
153 F J 0.0000 Buried
154 P J -0.6741 Soluble
155 E J -0.2793 Soluble
156 P J -0.7036 Soluble
157 V J -0.3664 Soluble
158 T J -0.3295 Soluble
159 V J -0.3880 Soluble
160 S J -0.4499 Soluble
161 W J 0.0000 Buried
162 N J -0.7611 Soluble
163 S J -0.7272 Soluble
164 G J -0.6233 Soluble
165 A J -0.2846 Soluble
166 L J -0.0344 Soluble
167 T J -0.1883 Soluble
168 S J -0.1863 Soluble
169 G J -0.2102 Soluble
170 V J 0.1665 Aggregation-prone
171 H J -0.1573 Soluble
172 T J 0.0245 Aggregation-prone
173 F J 0.0000 Buried
174 P J -0.2856 Soluble
175 A J 0.2945 Aggregation-prone
176 V J 0.5885 Aggregation-prone
177 L J 1.3886 Aggregation-prone
178 Q J 0.3973 Aggregation-prone
179 S J 0.0199 Aggregation-prone
180 S J -0.1466 Soluble
181 G J 0.0779 Aggregation-prone
182 L J 0.1121 Aggregation-prone
183 Y J 0.4600 Aggregation-prone
184 S J 0.0000 Buried
185 L J 0.0000 Buried
186 S J 0.0000 Buried
187 S J 0.0000 Buried
188 V J 0.0000 Buried
189 V J 0.0000 Buried
190 T J -0.1752 Soluble
191 V J 0.0000 Buried
192 P J -0.5044 Soluble
193 S J -0.4358 Soluble
194 S J -0.5676 Soluble
195 S J -0.6722 Soluble
196 L J -0.7945 Soluble
197 G J -0.9717 Soluble
198 T J -0.7934 Soluble
199 Q J -1.2518 Soluble
200 T J -1.0927 Soluble
201 Y J 0.0000 Buried
202 I J -1.0295 Soluble
203 C J 0.0000 Buried
204 N J -1.6804 Soluble
205 V J 0.0000 Buried
206 N J -1.7915 Soluble
207 H J 0.0000 Buried
208 K J -2.5751 Soluble
209 P J -1.6173 Soluble
210 S J -1.8279 Soluble
211 N J -2.5436 Soluble
212 T J -1.9989 Soluble
213 K J -2.6522 Soluble
214 V J -1.6067 Soluble
215 D J -2.5747 Soluble
216 K J -2.1353 Soluble
217 K J -2.3755 Soluble
218 V J 0.0000 Buried
219 E J -2.3405 Soluble
220 P J -1.3414 Soluble
1 E K -1.4518 Soluble
2 I K -0.2679 Soluble
3 V K 0.7976 Aggregation-prone
4 M K 0.0000 Buried
5 T K -0.6160 Soluble
6 Q K -0.6849 Soluble
7 S K -0.6636 Soluble
8 P K -0.3902 Soluble
9 A K -0.3352 Soluble
10 T K -0.2970 Soluble
11 L K -0.0830 Soluble
12 S K -0.4535 Soluble
13 L K -0.7258 Soluble
14 S K -1.1369 Soluble
15 P K -1.4191 Soluble
16 G K -1.5713 Soluble
17 E K -1.9044 Soluble
18 R K -2.3386 Soluble
19 A K 0.0000 Buried
20 T K -0.6034 Soluble
21 L K 0.0000 Buried
22 S K -0.8905 Soluble
23 C K 0.0000 Buried
24 R K -2.3819 Soluble
25 A K -1.2235 Soluble
26 S K -1.0348 Soluble
27 Q K -1.7064 Soluble
28 S K -1.3118 Soluble
29 V K 0.0000 Buried
36 S K -0.5532 Soluble
37 S K -0.0626 Soluble
38 Y K 0.6704 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 0.0000 Buried
44 Q K 0.0000 Buried
45 K K -1.6372 Soluble
46 P K -1.3770 Soluble
47 G K -1.4746 Soluble
48 Q K -2.1197 Soluble
49 A K -1.3232 Soluble
50 P K 0.0000 Buried
51 R K -1.4578 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.3706 Soluble
56 D K -0.5485 Soluble
57 A K 0.0000 Buried
65 S K -0.9828 Soluble
66 N K -1.3904 Soluble
67 R K -1.5936 Soluble
68 A K -1.0021 Soluble
69 T K -0.6390 Soluble
70 G K -0.6819 Soluble
71 I K 0.0000 Buried
72 P K -0.4638 Soluble
74 A K -0.4177 Soluble
75 R K -0.7510 Soluble
76 F K 0.0000 Buried
77 S K -0.7191 Soluble
78 G K -0.7286 Soluble
79 S K -0.8464 Soluble
80 G K -1.1898 Soluble
83 S K -1.0202 Soluble
84 G K -1.1463 Soluble
85 T K -1.8727 Soluble
86 D K -2.4243 Soluble
87 F K 0.0000 Buried
88 T K -0.8220 Soluble
89 L K 0.0000 Buried
90 T K -0.6030 Soluble
91 I K 0.0000 Buried
92 S K -1.2543 Soluble
93 S K -1.5687 Soluble
94 L K 0.0000 Buried
95 E K -2.0341 Soluble
96 P K -1.6424 Soluble
97 E K -2.3194 Soluble
98 D K 0.0000 Buried
99 F K -0.7199 Soluble
100 A K 0.0000 Buried
101 V K -0.2800 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 0.2547 Aggregation-prone
108 G K -0.1425 Soluble
109 S K -0.4968 Soluble
114 T K -0.4950 Soluble
115 P K -0.5846 Soluble
116 L K 0.0135 Aggregation-prone
117 T K 0.0798 Aggregation-prone
118 F K 0.3136 Aggregation-prone
119 G K 0.0000 Buried
120 G K -0.7649 Soluble
121 G K -0.7058 Soluble
122 T K 0.0000 Buried
123 K K -0.6766 Soluble
124 A K 0.0000 Buried
125 E K -0.3986 Soluble
126 I K -0.4798 Soluble
127 K K -1.0568 Soluble
128 R K -1.5558 Soluble
129 T K -0.1917 Soluble
130 V K 0.7493 Aggregation-prone
131 A K 0.1388 Aggregation-prone
132 A K 0.0627 Aggregation-prone
133 P K 0.0000 Buried
134 S K -0.0855 Soluble
135 V K 0.0000 Buried
136 F K 0.0613 Aggregation-prone
137 I K 0.0651 Aggregation-prone
138 F K 0.0000 Buried
139 P K -0.5504 Soluble
140 P K -0.7728 Soluble
141 S K -1.3800 Soluble
142 D K -2.6525 Soluble
143 E K -2.2816 Soluble
144 Q K 0.0000 Buried
145 L K -1.8958 Soluble
146 K K -2.6009 Soluble
147 S K -1.6053 Soluble
148 G K -1.1609 Soluble
149 T K -0.9012 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 -0.3061 Soluble
158 N K -0.8563 Soluble
159 F K 0.0000 Buried
160 Y K 0.0000 Buried
161 P K -1.6873 Soluble
162 R K -3.0602 Soluble
163 E K -3.2798 Soluble
164 A K -2.3832 Soluble
165 K K -2.5203 Soluble
166 V K -1.2002 Soluble
167 Q K -0.8549 Soluble
168 W K 0.0000 Buried
169 K K -0.8425 Soluble
170 V K 0.0000 Buried
171 D K -2.0183 Soluble
172 N K -1.6739 Soluble
173 A K -0.4769 Soluble
174 L K 0.2559 Aggregation-prone
175 Q K -0.3099 Soluble
176 S K -0.5019 Soluble
177 G K -0.8959 Soluble
178 N K -0.7804 Soluble
179 S K -1.1422 Soluble
180 Q K -1.4596 Soluble
181 E K -1.7237 Soluble
182 S K -0.7048 Soluble
183 V K -0.7093 Soluble
184 T K -1.1623 Soluble
185 E K -2.2689 Soluble
186 Q K -1.9828 Soluble
187 D K -2.0814 Soluble
188 S K -1.8576 Soluble
189 K K -2.4370 Soluble
190 D K -2.2264 Soluble
191 S K -1.9949 Soluble
192 T K -1.6365 Soluble
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 -0.6598 Soluble
199 L K 0.0000 Buried
200 T K -0.4181 Soluble
201 L K -0.5697 Soluble
202 S K -0.9471 Soluble
203 K K -1.8585 Soluble
204 A K -1.7144 Soluble
205 D K -2.3626 Soluble
206 Y K 0.0000 Buried
207 E K -3.2695 Soluble
208 K K -3.5128 Soluble
209 H K -3.1781 Soluble
210 K K -3.1309 Soluble
211 V K -1.4782 Soluble
212 Y K 0.0000 Buried
213 A K 0.0000 Buried
214 C K 0.0000 Buried
215 E K -1.0246 Soluble
216 V K 0.0000 Buried
217 T K -1.2490 Soluble
218 H K 0.0000 Buried
219 Q K -1.6586 Soluble
220 G K -0.2833 Soluble
221 L K -0.1460 Soluble
222 S K -0.4249 Soluble
223 S K -0.4161 Soluble
224 P K -0.5588 Soluble
225 V K -0.0187 Soluble
226 T K -0.5481 Soluble
227 K K -0.7348 Soluble
228 S K -0.6094 Soluble
229 F K -0.7264 Soluble
230 N K -1.6797 Soluble
231 R K -2.1377 Soluble
232 G K -1.5087 Soluble
233 A K -0.7074 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 -0.6068 4.7802 CSV PDB
4.5 -0.6434 4.7271 CSV PDB
5.0 -0.6862 4.6658 CSV PDB
5.5 -0.7261 4.6014 CSV PDB
6.0 -0.7529 4.536 CSV PDB
6.5 -0.7587 4.4702 CSV PDB
7.0 -0.7434 4.4047 CSV PDB
7.5 -0.7142 4.3399 CSV PDB
8.0 -0.6775 4.2777 CSV PDB
8.5 -0.6354 4.2224 CSV PDB
9.0 -0.588 4.181 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH