Necitumumab / 6b3s

A4DAB177_6b3s_C_D | Source PDB: 6b3s | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6461
Max Score
1.8992
Min Score
-3.6403
Total Score
-275.25
Score CDR
-0.0518
Score non-CDR
-0.7216

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) C (Heavy), D (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 -3.6403
Maximum Score 1.8992
Average Score -0.6461
Total Score -275.2516

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

Index Residue Chain A4D Score Classification
1 Q C -1.6121 Soluble
2 V C -1.0023 Soluble
3 Q C -1.7160 Soluble
4 L C 0.0000 Buried
5 Q C -1.4597 Soluble
6 E C 0.0000 Buried
7 S C -0.6743 Soluble
8 G C -0.5358 Soluble
9 P C -0.2990 Soluble
11 G C 0.0017 Aggregation-prone
12 L C 0.2150 Aggregation-prone
13 V C 0.0000 Buried
14 K C -1.2118 Soluble
15 P C -1.1250 Soluble
16 S C -1.3191 Soluble
17 Q C -1.8266 Soluble
18 T C -1.7099 Soluble
19 L C 0.0000 Buried
20 S C -1.2479 Soluble
21 L C 0.0000 Buried
22 T C -0.6745 Soluble
23 C C 0.0000 Buried
24 T C -1.0523 Soluble
25 V C 0.0000 Buried
26 S C -1.2912 Soluble
27 G C -1.3823 Soluble
28 G C -1.1148 Soluble
29 S C -0.6604 Soluble
30 I C 0.0000 Buried
31 S C -0.1220 Soluble
34 S C -0.2455 Soluble
35 G C -0.0106 Soluble
36 D C -0.2499 Soluble
37 Y C 0.5132 Aggregation-prone
38 Y C 0.6713 Aggregation-prone
39 W C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 I C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6507 Soluble
45 P C -0.7927 Soluble
46 P C -0.8896 Soluble
47 G C -1.4989 Soluble
48 K C -2.2413 Soluble
49 G C -1.3439 Soluble
50 L C 0.0000 Buried
51 E C -0.6522 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 Y C 0.3080 Aggregation-prone
56 I C 0.0000 Buried
57 Y C 0.4549 Aggregation-prone
58 Y C 0.6821 Aggregation-prone
59 S C 0.0762 Aggregation-prone
63 G C -0.2115 Soluble
64 S C -0.2593 Soluble
65 T C -0.1192 Soluble
66 D C -0.1884 Soluble
67 Y C -0.1865 Soluble
68 N C 0.0000 Buried
69 P C -1.1648 Soluble
70 S C -1.0570 Soluble
71 L C 0.0000 Buried
72 K C -2.0032 Soluble
74 S C -1.3678 Soluble
75 R C -1.6810 Soluble
76 V C 0.0000 Buried
77 T C -0.9088 Soluble
78 M C 0.0000 Buried
79 S C -0.3240 Soluble
80 V C -0.1142 Soluble
81 D C -1.1140 Soluble
82 T C -0.9435 Soluble
83 S C -1.3488 Soluble
84 K C -2.1380 Soluble
85 N C -1.4673 Soluble
86 Q C -1.1659 Soluble
87 F C 0.0000 Buried
88 S C -0.6298 Soluble
89 L C 0.0000 Buried
90 K C -2.1130 Soluble
91 V C 0.0000 Buried
92 N C -2.0035 Soluble
93 S C -1.3136 Soluble
94 V C 0.0000 Buried
95 T C -0.5818 Soluble
96 A C -0.1191 Soluble
97 A C 0.0470 Aggregation-prone
98 D C 0.0000 Buried
99 T C 0.1857 Aggregation-prone
100 A C 0.0000 Buried
101 V C 0.3527 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 V C 0.6613 Aggregation-prone
108 S C 0.7495 Aggregation-prone
109 I C 1.4001 Aggregation-prone
110 F C 1.8992 Aggregation-prone
111 G C 0.6933 Aggregation-prone
112 V C 0.3015 Aggregation-prone
113 G C 0.8069 Aggregation-prone
114 T C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.2833 Soluble
117 Y C 0.2050 Aggregation-prone
118 W C -0.5176 Soluble
119 G C 0.0000 Buried
120 Q C -1.7982 Soluble
121 G C 0.0000 Buried
122 T C -0.0598 Soluble
123 L C 0.7998 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -0.3634 Soluble
128 S C -0.5547 Soluble
129 A C -0.4358 Soluble
130 S C -0.5330 Soluble
131 T C -0.7010 Soluble
132 K C -1.2544 Soluble
133 G C -1.4210 Soluble
134 P C 0.0000 Buried
135 S C -0.1908 Soluble
136 V C 0.0000 Buried
137 F C -0.5334 Soluble
138 P C -1.0247 Soluble
139 L C 0.0000 Buried
140 A C -0.8583 Soluble
141 P C -0.5731 Soluble
142 T C -0.2959 Soluble
143 A C -0.1806 Soluble
144 A C 0.0000 Buried
145 L C 0.0000 Buried
146 G C 0.0000 Buried
147 C C 0.0000 Buried
148 L C 0.0000 Buried
149 V C 0.0000 Buried
150 K C 0.0000 Buried
151 D C -0.3889 Soluble
152 Y C 0.0000 Buried
153 F C 0.0000 Buried
154 P C -0.6494 Soluble
155 E C -0.2300 Soluble
156 P C -0.7420 Soluble
157 V C -0.4973 Soluble
158 T C -0.6789 Soluble
159 V C -0.5194 Soluble
160 S C -0.5747 Soluble
161 W C 0.0000 Buried
162 N C -0.7700 Soluble
163 S C -0.7882 Soluble
164 G C -0.6340 Soluble
165 A C -0.2742 Soluble
166 L C 0.0015 Aggregation-prone
167 T C -0.0944 Soluble
168 S C -0.1292 Soluble
169 G C -0.1486 Soluble
170 V C 0.2130 Aggregation-prone
171 H C -0.3163 Soluble
172 T C 0.0044 Aggregation-prone
173 F C 0.0000 Buried
174 P C -0.4121 Soluble
175 A C 0.1917 Aggregation-prone
176 V C 0.4858 Aggregation-prone
177 L C 1.3653 Aggregation-prone
178 Q C 0.3438 Aggregation-prone
179 S C 0.0034 Aggregation-prone
180 S C -0.1523 Soluble
181 G C 0.0806 Aggregation-prone
182 L C 0.1474 Aggregation-prone
183 Y C 0.4448 Aggregation-prone
184 S C 0.2823 Aggregation-prone
185 L C 0.0000 Buried
186 S C 0.0000 Buried
187 S C 0.0000 Buried
188 V C 0.0000 Buried
189 V C 0.0000 Buried
190 T C -0.1556 Soluble
191 V C 0.0000 Buried
192 P C -0.5418 Soluble
193 S C -0.4962 Soluble
194 S C -0.6173 Soluble
195 S C -0.7453 Soluble
196 L C -0.9309 Soluble
197 G C -1.0337 Soluble
198 T C -0.8508 Soluble
199 Q C -1.5353 Soluble
200 T C -1.2808 Soluble
201 Y C 0.0000 Buried
202 I C -1.3220 Soluble
203 C C 0.0000 Buried
204 N C -1.7142 Soluble
205 V C 0.0000 Buried
206 N C -2.3923 Soluble
207 H C 0.0000 Buried
208 K C -2.7808 Soluble
209 P C -1.6496 Soluble
210 S C -1.9269 Soluble
211 N C -2.5753 Soluble
212 T C -2.1580 Soluble
213 K C -2.8259 Soluble
214 V C -1.7051 Soluble
215 D C -2.5674 Soluble
216 K C -1.9014 Soluble
217 K C -2.5450 Soluble
218 V C 0.0000 Buried
219 E C -2.5445 Soluble
220 P C -1.3897 Soluble
1 E D -1.4860 Soluble
2 I D -0.3127 Soluble
3 V D 0.7584 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.6353 Soluble
6 Q D 0.0000 Buried
7 S D -0.6538 Soluble
8 P D -0.4042 Soluble
9 A D -0.3549 Soluble
10 T D -0.3338 Soluble
11 L D -0.1795 Soluble
12 S D -0.4431 Soluble
13 L D -0.8667 Soluble
14 S D -1.2766 Soluble
15 P D -1.6703 Soluble
16 G D -1.8629 Soluble
17 E D -2.4894 Soluble
18 R D -2.6268 Soluble
19 A D 0.0000 Buried
20 T D -0.6497 Soluble
21 L D 0.0000 Buried
22 S D -0.9226 Soluble
23 C D 0.0000 Buried
24 R D -2.4414 Soluble
25 A D 0.0000 Buried
26 S D -1.0456 Soluble
27 Q D -1.7101 Soluble
28 S D -1.3058 Soluble
29 V D 0.0000 Buried
36 S D -0.5798 Soluble
37 S D -0.1183 Soluble
38 Y D 0.5946 Aggregation-prone
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.5001 Soluble
46 P D -1.2820 Soluble
47 G D -1.3945 Soluble
48 Q D -2.0104 Soluble
49 A D -1.2784 Soluble
50 P D 0.0000 Buried
51 R D -1.5115 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.6454 Soluble
56 D D -0.9233 Soluble
57 A D 0.0000 Buried
65 S D -1.3063 Soluble
66 N D -2.0486 Soluble
67 R D -1.8266 Soluble
68 A D -1.0655 Soluble
69 T D -0.6534 Soluble
70 G D -0.5833 Soluble
71 I D -0.5409 Soluble
72 P D -0.3437 Soluble
74 A D -0.3433 Soluble
75 R D -0.6819 Soluble
76 F D 0.0000 Buried
77 S D -0.7245 Soluble
78 G D 0.0000 Buried
79 S D -0.9240 Soluble
80 G D -1.2034 Soluble
83 S D -1.0270 Soluble
84 G D -1.1404 Soluble
85 T D -1.8814 Soluble
86 D D -2.4307 Soluble
87 F D 0.0000 Buried
88 T D -0.8004 Soluble
89 L D 0.0000 Buried
90 T D -0.5579 Soluble
91 I D 0.0000 Buried
92 S D -1.3515 Soluble
93 S D -1.7903 Soluble
94 L D 0.0000 Buried
95 E D -2.1036 Soluble
96 P D -1.6236 Soluble
97 E D -2.2969 Soluble
98 D D 0.0000 Buried
99 F D -0.6804 Soluble
100 A D 0.0000 Buried
101 V D -0.2870 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 H D 0.0000 Buried
106 Q D 0.0000 Buried
107 Y D 0.1810 Aggregation-prone
108 G D -0.1765 Soluble
109 S D -0.5272 Soluble
114 T D -0.4941 Soluble
115 P D -0.5718 Soluble
116 L D -0.0115 Soluble
117 T D 0.0087 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.7337 Soluble
121 G D -0.7425 Soluble
122 T D 0.0000 Buried
123 K D -0.7575 Soluble
124 A D 0.0000 Buried
125 E D -0.5781 Soluble
126 I D -0.4815 Soluble
127 K D -1.0492 Soluble
128 R D -0.7633 Soluble
129 T D -0.0322 Soluble
130 V D 0.3398 Aggregation-prone
131 A D -0.0164 Soluble
132 A D -0.1005 Soluble
133 P D 0.0000 Buried
134 S D -0.0290 Soluble
135 V D 0.1494 Aggregation-prone
136 F D 0.2797 Aggregation-prone
137 I D 0.2118 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5394 Soluble
140 P D -0.7790 Soluble
141 S D -1.5089 Soluble
142 D D -2.8432 Soluble
143 E D -2.6571 Soluble
144 Q D 0.0000 Buried
145 L D -2.2572 Soluble
146 K D -2.7606 Soluble
147 S D -1.7276 Soluble
148 G D -1.2829 Soluble
149 T D -1.0507 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8497 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.7473 Soluble
162 R D -3.0016 Soluble
163 E D -3.2636 Soluble
164 A D -2.3599 Soluble
165 K D -2.5129 Soluble
166 V D -1.1988 Soluble
167 Q D -0.8408 Soluble
168 W D 0.0000 Buried
169 K D -0.8439 Soluble
170 V D 0.0000 Buried
171 D D -2.0473 Soluble
172 N D -1.6877 Soluble
173 A D -0.5247 Soluble
174 L D 0.2538 Aggregation-prone
175 Q D -0.4709 Soluble
176 S D -0.7046 Soluble
177 G D -1.2078 Soluble
178 N D -1.4109 Soluble
179 S D -1.5593 Soluble
180 Q D -1.8085 Soluble
181 E D -2.1285 Soluble
182 S D -0.9600 Soluble
183 V D -0.8934 Soluble
184 T D -1.2167 Soluble
185 E D -2.3244 Soluble
186 Q D -1.9624 Soluble
187 D D -2.0783 Soluble
188 S D -1.7792 Soluble
189 K D -2.3333 Soluble
190 D D -1.7678 Soluble
191 S D -1.7108 Soluble
192 T D 0.0000 Buried
193 Y D -1.4361 Soluble
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.8555 Soluble
199 L D 0.0000 Buried
200 T D -0.6444 Soluble
201 L D -0.8184 Soluble
202 S D -1.1671 Soluble
203 K D -2.2321 Soluble
204 A D -2.0029 Soluble
205 D D -2.6647 Soluble
206 Y D 0.0000 Buried
207 E D -3.4900 Soluble
208 K D -3.6403 Soluble
209 H D -3.1493 Soluble
210 K D -3.1184 Soluble
211 V D -1.4459 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.9718 Soluble
216 V D 0.0000 Buried
217 T D -1.2765 Soluble
218 H D 0.0000 Buried
219 Q D -1.5979 Soluble
220 G D -0.4715 Soluble
221 L D -0.3038 Soluble
222 S D -0.4973 Soluble
223 S D -0.4732 Soluble
224 P D -0.6184 Soluble
225 V D -0.0094 Soluble
226 T D -0.4371 Soluble
227 K D -0.5389 Soluble
228 S D -0.5265 Soluble
229 F D -0.6712 Soluble
230 N D -1.6237 Soluble
231 R D -2.1724 Soluble
232 G D -1.5386 Soluble
233 A D -0.5249 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 -0.598 4.9037 CSV PDB
4.5 -0.6361 4.9012 CSV PDB
5.0 -0.6808 4.894 CSV PDB
5.5 -0.7228 4.8755 CSV PDB
6.0 -0.7515 4.8385 CSV PDB
6.5 -0.7592 4.7836 CSV PDB
7.0 -0.7459 4.7184 CSV PDB
7.5 -0.7189 4.649 CSV PDB
8.0 -0.6845 4.5782 CSV PDB
8.5 -0.6447 4.5069 CSV PDB
9.0 -0.5997 4.4357 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH