Necitumumab / 3b2v

A4DAB177_3b2v_H_L | Source PDB: 3b2v | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6868
Max Score
1.9171
Min Score
-3.7134
Total Score
-295.31
Score CDR
-0.0768
Score non-CDR
-0.7634

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) H (Heavy), L (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 -3.7134
Maximum Score 1.9171
Average Score -0.6868
Total Score -295.3108

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

Index Residue Chain A4D Score Classification
1 Q H -1.6169 Soluble
2 V H -1.2797 Soluble
3 Q H -1.8378 Soluble
4 L H 0.0000 Buried
5 Q H -1.7826 Soluble
6 E H 0.0000 Buried
7 S H -0.7362 Soluble
8 G H -0.5097 Soluble
9 P H -0.4173 Soluble
11 G H -0.3206 Soluble
12 L H -0.2630 Soluble
13 V H 0.0000 Buried
14 K H -2.2212 Soluble
15 P H -1.5606 Soluble
16 S H -1.4554 Soluble
17 Q H -2.0474 Soluble
18 T H -1.6671 Soluble
19 L H 0.0000 Buried
20 S H -0.9016 Soluble
21 L H 0.0000 Buried
22 T H -0.7267 Soluble
23 C H 0.0000 Buried
24 T H -1.2220 Soluble
25 V H 0.0000 Buried
26 S H -1.4055 Soluble
27 G H -1.3094 Soluble
28 G H -1.0615 Soluble
29 S H -0.6336 Soluble
30 I H 0.0000 Buried
31 S H -0.1391 Soluble
34 S H -0.1416 Soluble
35 G H 0.0812 Aggregation-prone
36 D H 0.0184 Aggregation-prone
37 Y H 0.5449 Aggregation-prone
38 Y H 0.5036 Aggregation-prone
39 W H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H 0.0000 Buried
45 P H -0.8759 Soluble
46 P H -0.9098 Soluble
47 G H -1.4463 Soluble
48 K H -2.2779 Soluble
49 G H -1.4392 Soluble
50 L H 0.0000 Buried
51 E H -1.3734 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H 0.1019 Aggregation-prone
56 I H 0.0000 Buried
57 Y H 0.5596 Aggregation-prone
58 Y H 0.9936 Aggregation-prone
59 S H 0.1426 Aggregation-prone
63 G H -0.3366 Soluble
64 S H -0.2778 Soluble
65 T H -0.2109 Soluble
66 D H -0.4038 Soluble
67 Y H -0.3225 Soluble
68 N H 0.0000 Buried
69 P H -1.2591 Soluble
70 S H -1.3618 Soluble
71 L H 0.0000 Buried
72 K H -2.0061 Soluble
74 S H -1.3307 Soluble
75 R H -1.4619 Soluble
76 V H 0.0000 Buried
77 T H -0.6847 Soluble
78 M H 0.0000 Buried
79 S H -0.4905 Soluble
80 V H -0.6486 Soluble
81 D H -1.9204 Soluble
82 T H -1.3944 Soluble
83 S H -1.5854 Soluble
84 K H -2.3338 Soluble
85 N H -1.7585 Soluble
86 Q H -1.4749 Soluble
87 F H 0.0000 Buried
88 S H -0.5862 Soluble
89 L H 0.0000 Buried
90 K H -1.6103 Soluble
91 V H 0.0000 Buried
92 N H -1.6523 Soluble
93 S H -1.3788 Soluble
94 V H 0.0000 Buried
95 T H -0.6221 Soluble
96 A H -0.2207 Soluble
97 A H 0.0544 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0975 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.2494 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0787 Aggregation-prone
107 V H 0.5602 Aggregation-prone
108 S H 0.0000 Buried
109 I H 1.3733 Aggregation-prone
110 F H 1.9171 Aggregation-prone
111 G H 0.6574 Aggregation-prone
112 V H 0.4315 Aggregation-prone
113 G H 0.6449 Aggregation-prone
114 T H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.2907 Soluble
117 Y H 0.0887 Aggregation-prone
118 W H -0.6289 Soluble
119 G H 0.0000 Buried
120 Q H -1.9382 Soluble
121 G H -0.9625 Soluble
122 T H -0.2671 Soluble
123 L H 0.4606 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1302 Soluble
126 V H 0.0000 Buried
127 S H -0.9139 Soluble
128 S H -0.8518 Soluble
129 A H -0.5652 Soluble
130 S H -0.5762 Soluble
131 T H -0.5492 Soluble
132 K H -1.1498 Soluble
133 G H -1.3093 Soluble
134 P H -0.4107 Soluble
135 S H -0.3830 Soluble
136 V H -0.4235 Soluble
137 F H -0.7066 Soluble
138 P H -0.8581 Soluble
139 L H 0.0000 Buried
140 A H -1.2677 Soluble
141 P H -0.7764 Soluble
142 S H -0.7175 Soluble
143 S H -0.4922 Soluble
144 G H -0.6592 Soluble
145 T H -0.5172 Soluble
146 A H -0.3020 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.2785 Soluble
154 D H -0.6977 Soluble
155 Y H 0.0000 Buried
156 F H -0.2652 Soluble
157 P H 0.0000 Buried
158 E H -0.0684 Soluble
159 P H -0.2703 Soluble
160 V H -0.4367 Soluble
161 T H -0.5266 Soluble
162 V H -0.1895 Soluble
163 S H -0.3673 Soluble
164 W H 0.0000 Buried
165 N H -0.7827 Soluble
166 S H -0.6521 Soluble
167 G H -0.7506 Soluble
168 A H -0.4042 Soluble
169 L H 0.0000 Buried
170 T H -0.3530 Soluble
171 S H -0.3070 Soluble
172 G H -0.2528 Soluble
173 V H 0.1233 Aggregation-prone
174 H H -0.0578 Soluble
175 T H 0.0560 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.2207 Soluble
178 A H 0.3903 Aggregation-prone
179 V H 0.5342 Aggregation-prone
180 L H 1.3298 Aggregation-prone
181 Q H -0.0637 Soluble
182 S H -0.2468 Soluble
183 S H -0.3305 Soluble
184 G H -0.2386 Soluble
185 L H 0.0667 Aggregation-prone
186 Y H 0.5186 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1376 Soluble
194 V H 0.0000 Buried
195 P H -0.6540 Soluble
196 S H -0.6170 Soluble
197 S H -0.5903 Soluble
198 S H -0.7624 Soluble
199 L H -0.8573 Soluble
200 G H -1.0848 Soluble
201 T H -0.9099 Soluble
202 Q H -1.4320 Soluble
203 T H -1.1051 Soluble
204 Y H 0.0000 Buried
205 I H -0.4035 Soluble
206 C H 0.0000 Buried
207 N H -0.8809 Soluble
208 V H 0.0000 Buried
209 N H -1.3817 Soluble
210 H H 0.0000 Buried
211 K H -2.6637 Soluble
212 P H -1.4008 Soluble
213 S H -1.7169 Soluble
214 N H -2.4012 Soluble
215 T H -1.7134 Soluble
216 K H -1.9154 Soluble
217 V H 0.0536 Aggregation-prone
218 D H -0.7875 Soluble
219 K H -1.0392 Soluble
220 K H -1.3759 Soluble
221 V H 0.0000 Buried
222 E H -2.5846 Soluble
223 P H -2.0950 Soluble
224 K H -2.3216 Soluble
1 E L -1.4809 Soluble
2 I L -0.4639 Soluble
3 V L 0.0068 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.7147 Soluble
6 Q L 0.0000 Buried
7 S L -0.7858 Soluble
8 P L -0.4638 Soluble
9 A L -0.4207 Soluble
10 T L -0.4388 Soluble
11 L L -0.2129 Soluble
12 S L -0.6101 Soluble
13 L L -1.3532 Soluble
14 S L -1.9733 Soluble
15 P L -2.1277 Soluble
16 G L -2.0808 Soluble
17 E L -3.0844 Soluble
18 R L -2.8950 Soluble
19 A L 0.0000 Buried
20 T L -0.7130 Soluble
21 L L 0.0000 Buried
22 S L -0.8347 Soluble
23 C L 0.0000 Buried
24 R L -2.4323 Soluble
25 A L 0.0000 Buried
26 S L -1.1807 Soluble
27 Q L -1.5529 Soluble
28 S L -1.2807 Soluble
29 V L 0.0000 Buried
36 S L -0.5834 Soluble
37 S L -0.3117 Soluble
38 Y L 0.3368 Aggregation-prone
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -1.1777 Soluble
44 Q L -1.3711 Soluble
45 K L -1.9668 Soluble
46 P L -1.3554 Soluble
47 G L -1.4480 Soluble
48 Q L -2.1981 Soluble
49 A L -1.5146 Soluble
50 P L 0.0000 Buried
51 R L -1.9800 Soluble
52 L L -0.7683 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.5241 Soluble
56 D L -0.9003 Soluble
57 A L -0.8804 Soluble
65 S L -1.1182 Soluble
66 N L -1.8249 Soluble
67 R L -1.5980 Soluble
68 A L -0.9851 Soluble
69 T L -0.6291 Soluble
70 G L -0.5856 Soluble
71 I L -0.6635 Soluble
72 P L -0.3603 Soluble
74 A L -0.3436 Soluble
75 R L -0.7671 Soluble
76 F L 0.0000 Buried
77 S L -0.5328 Soluble
78 G L 0.0000 Buried
79 S L -0.6693 Soluble
80 G L -0.9921 Soluble
83 S L -0.7424 Soluble
84 G L -1.0575 Soluble
85 T L -1.6932 Soluble
86 D L -2.0840 Soluble
87 F L 0.0000 Buried
88 T L -0.6679 Soluble
89 L L 0.0000 Buried
90 T L -0.5302 Soluble
91 I L 0.0000 Buried
92 S L -1.4784 Soluble
93 S L -2.0240 Soluble
94 L L 0.0000 Buried
95 E L -2.1946 Soluble
96 P L -2.5731 Soluble
97 E L -2.7844 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.5882 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 H L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.1185 Aggregation-prone
108 G L -0.2421 Soluble
109 S L -0.4702 Soluble
114 T L -0.4453 Soluble
115 P L 0.0000 Buried
116 L L -0.1942 Soluble
117 T L -0.3546 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.8118 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1294 Soluble
124 A L 0.0000 Buried
125 E L -1.5009 Soluble
126 I L 0.0000 Buried
127 K L -2.2902 Soluble
128 R L -2.1609 Soluble
129 T L -0.7544 Soluble
130 V L 0.0156 Aggregation-prone
131 A L 0.0154 Aggregation-prone
132 A L 0.0076 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2556 Soluble
135 V L 0.0000 Buried
136 F L 0.1105 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.4607 Soluble
140 P L 0.0000 Buried
141 S L -1.8522 Soluble
142 D L -3.3380 Soluble
143 E L -2.9704 Soluble
144 Q L 0.0000 Buried
145 L L -2.3719 Soluble
146 K L -3.1282 Soluble
147 S L -1.8841 Soluble
148 G L -1.1973 Soluble
149 T L -1.2692 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.5802 Soluble
159 F L 0.0000 Buried
160 Y L -1.1554 Soluble
161 P L -1.7762 Soluble
162 R L -3.0303 Soluble
163 E L -3.2124 Soluble
164 A L -2.1656 Soluble
165 K L -2.1523 Soluble
166 V L -0.7309 Soluble
167 Q L -0.8477 Soluble
168 W L -0.6790 Soluble
169 K L -1.0973 Soluble
170 V L -0.9173 Soluble
171 D L -1.6027 Soluble
172 N L -1.5364 Soluble
173 A L -0.2964 Soluble
174 L L 0.2592 Aggregation-prone
175 Q L -1.0797 Soluble
176 S L -1.1535 Soluble
177 G L -1.5393 Soluble
178 N L -2.0164 Soluble
179 S L -1.7670 Soluble
180 Q L -2.1052 Soluble
181 E L -1.7080 Soluble
182 S L 0.0000 Buried
183 V L -0.5466 Soluble
184 T L -0.8519 Soluble
185 E L -2.1557 Soluble
186 Q L 0.0000 Buried
187 D L -2.0667 Soluble
188 S L -2.3528 Soluble
189 K L -2.8688 Soluble
190 D L -2.6552 Soluble
191 S L 0.0000 Buried
192 T L -1.5868 Soluble
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L -0.2359 Soluble
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.9130 Soluble
199 L L 0.0000 Buried
200 T L -0.4710 Soluble
201 L L -0.4721 Soluble
202 S L -1.0986 Soluble
203 K L -2.4477 Soluble
204 A L -2.0686 Soluble
205 D L -2.3211 Soluble
206 Y L 0.0000 Buried
207 E L -3.6516 Soluble
208 K L -3.7134 Soluble
209 H L -3.2150 Soluble
210 K L -3.0199 Soluble
211 V L -1.5034 Soluble
212 Y L 0.0000 Buried
213 A L -1.0071 Soluble
214 C L 0.0000 Buried
215 E L -0.8271 Soluble
216 V L 0.0000 Buried
217 T L -0.7232 Soluble
218 H L 0.0000 Buried
219 Q L -1.2178 Soluble
220 G L -0.3216 Soluble
221 L L 0.1553 Aggregation-prone
222 S L -0.2290 Soluble
223 S L -0.2093 Soluble
224 P L -0.4411 Soluble
225 V L -0.1785 Soluble
226 T L -0.8482 Soluble
227 K L -1.1430 Soluble
228 S L -0.6074 Soluble
229 F L -0.4607 Soluble
230 N L -1.5772 Soluble
231 R L -1.8086 Soluble
232 G L -1.4300 Soluble
233 A L -0.7731 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
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 -0.7273 4.8027 CSV PDB
4.5 -0.765 4.7688 CSV PDB
5.0 -0.8085 4.7295 CSV PDB
5.5 -0.8475 4.6881 CSV PDB
6.0 -0.8696 4.6459 CSV PDB
6.5 -0.8662 4.6036 CSV PDB
7.0 -0.839 4.5614 CSV PDB
7.5 -0.7967 4.5197 CSV PDB
8.0 -0.7464 4.4796 CSV PDB
8.5 -0.6905 4.4437 CSV PDB
9.0 -0.6301 4.4166 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH