Cetuximab / 5iop

A4DAB063_5iop_D_C | Source PDB: 5iop | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6936
Max Score
1.8174
Min Score
-3.5902
Total Score
-295.46
Score CDR
-0.321
Score non-CDR
-0.7387

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) D (Heavy), C (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 -3.5902
Maximum Score 1.8174
Average Score -0.6936
Total Score -295.46

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

Index Residue Chain A4D Score Classification
1 Q D -1.4274 Soluble
2 V D -0.7716 Soluble
3 Q D -1.3971 Soluble
4 L D 0.0000 Buried
5 K D -1.8976 Soluble
6 Q D 0.0000 Buried
7 S D -0.7842 Soluble
8 G D -1.1332 Soluble
9 P D -0.4888 Soluble
11 G D -0.4186 Soluble
12 L D 0.0362 Aggregation-prone
13 V D -0.6665 Soluble
14 Q D -1.3593 Soluble
15 P D -1.4199 Soluble
16 S D -1.5575 Soluble
17 Q D -1.9866 Soluble
18 S D -1.6424 Soluble
19 L D 0.0000 Buried
20 S D -0.6655 Soluble
21 I D 0.0000 Buried
22 T D -0.4326 Soluble
23 C D 0.0000 Buried
24 T D -0.9856 Soluble
25 V D 0.0000 Buried
26 S D -1.1421 Soluble
27 G D -0.9607 Soluble
28 F D -0.5259 Soluble
29 S D -0.8978 Soluble
30 L D 0.0000 Buried
35 T D -0.9015 Soluble
36 N D -0.8301 Soluble
37 Y D 0.4432 Aggregation-prone
38 G D 0.0000 Buried
39 V D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.4886 Soluble
45 S D -0.9880 Soluble
46 P D -1.1799 Soluble
47 G D -1.7690 Soluble
48 K D -2.2400 Soluble
49 G D -1.2249 Soluble
50 L D 0.0000 Buried
51 E D 0.0000 Buried
52 W D 0.0000 Buried
53 L D 0.0000 Buried
54 G D 0.0000 Buried
55 V D 0.0000 Buried
56 I D 0.0000 Buried
57 W D -0.4686 Soluble
58 S D -0.6244 Soluble
59 G D -1.2224 Soluble
63 G D -1.5362 Soluble
64 N D -1.8071 Soluble
65 T D -1.2044 Soluble
66 D D -0.8261 Soluble
67 Y D -0.3234 Soluble
68 N D -0.1702 Soluble
69 T D -0.3302 Soluble
70 P D -0.4008 Soluble
71 F D 0.0000 Buried
72 T D -0.4606 Soluble
74 S D -0.6199 Soluble
75 R D -1.0821 Soluble
76 L D 0.0000 Buried
77 S D -1.0628 Soluble
78 I D 0.0000 Buried
79 N D -1.7126 Soluble
80 K D -1.4188 Soluble
81 D D -1.7840 Soluble
82 N D -2.2639 Soluble
83 S D -1.7091 Soluble
84 K D -2.3925 Soluble
85 S D -1.6311 Soluble
86 Q D -1.4756 Soluble
87 V D 0.0000 Buried
88 F D -0.1709 Soluble
89 F D 0.0000 Buried
90 K D -1.5514 Soluble
91 M D 0.0000 Buried
92 N D -1.9021 Soluble
93 S D -1.5446 Soluble
94 L D 0.0000 Buried
95 Q D -2.0889 Soluble
96 S D -1.4903 Soluble
97 N D -2.0596 Soluble
98 D D 0.0000 Buried
99 T D -0.6032 Soluble
100 A D 0.0000 Buried
101 I D 0.5545 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 A D 0.0000 Buried
108 L D 0.9222 Aggregation-prone
109 T D 1.0547 Aggregation-prone
110 Y D 1.7680 Aggregation-prone
111 Y D 1.8174 Aggregation-prone
112 D D 0.8143 Aggregation-prone
113 Y D 0.0000 Buried
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.1549 Aggregation-prone
117 Y D 0.1854 Aggregation-prone
118 W D -0.4561 Soluble
119 G D 0.0000 Buried
120 Q D -1.7204 Soluble
121 G D -0.8466 Soluble
122 T D 0.0000 Buried
123 L D 0.1910 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2931 Soluble
126 V D 0.0000 Buried
127 S D -0.4610 Soluble
128 A D -0.2677 Soluble
129 A D -0.2614 Soluble
130 S D -0.5132 Soluble
131 T D -0.6350 Soluble
132 K D -1.3096 Soluble
133 G D -1.3963 Soluble
134 P D -0.5877 Soluble
135 S D -0.4446 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.3720 Soluble
139 L D 0.0000 Buried
140 A D -1.1218 Soluble
141 P D -0.7224 Soluble
142 G D -0.6363 Soluble
143 T D -0.4830 Soluble
144 A D 0.0000 Buried
145 A D 0.0000 Buried
146 L D 0.0000 Buried
147 G D 0.0000 Buried
148 C D 0.0000 Buried
149 L D 0.0000 Buried
150 V D 0.0000 Buried
151 K D 0.0000 Buried
152 D D -0.3699 Soluble
153 Y D 0.0000 Buried
154 F D 0.0000 Buried
155 P D 0.0000 Buried
156 E D -0.3914 Soluble
157 P D -0.6106 Soluble
158 V D -0.5407 Soluble
159 T D -0.4623 Soluble
160 V D -0.1410 Soluble
161 S D -0.3409 Soluble
162 W D 0.0000 Buried
163 N D -0.7247 Soluble
164 S D -0.6203 Soluble
165 G D -0.4635 Soluble
166 A D -0.1987 Soluble
167 L D 0.0562 Aggregation-prone
168 T D -0.1330 Soluble
169 S D -0.1666 Soluble
170 G D -0.1926 Soluble
171 V D 0.1628 Aggregation-prone
172 H D -0.3363 Soluble
173 T D -0.0049 Soluble
174 F D 0.0000 Buried
175 P D -0.3648 Soluble
176 A D 0.2140 Aggregation-prone
177 V D 0.5285 Aggregation-prone
178 L D 1.1875 Aggregation-prone
179 Q D 0.3129 Aggregation-prone
180 S D -0.1520 Soluble
181 S D -0.1946 Soluble
182 G D 0.0735 Aggregation-prone
183 L D 0.1733 Aggregation-prone
184 Y D 0.4598 Aggregation-prone
185 S D 0.0000 Buried
186 L D 0.0000 Buried
187 S D 0.0000 Buried
188 S D 0.0000 Buried
189 V D 0.0000 Buried
190 V D 0.0000 Buried
191 T D -0.1286 Soluble
192 V D 0.0000 Buried
193 P D -0.4751 Soluble
194 S D -0.5069 Soluble
195 S D -0.5698 Soluble
196 S D -0.5310 Soluble
197 L D -0.6673 Soluble
198 G D -0.8495 Soluble
199 T D -0.6493 Soluble
200 Q D -1.0050 Soluble
201 T D -1.0021 Soluble
202 Y D 0.0000 Buried
203 I D -1.2001 Soluble
204 C D 0.0000 Buried
205 N D -1.3847 Soluble
206 V D 0.0000 Buried
207 N D -1.7715 Soluble
208 H D 0.0000 Buried
209 K D -2.5756 Soluble
210 P D -1.5248 Soluble
211 S D -1.7548 Soluble
212 N D -2.5209 Soluble
213 T D -1.9831 Soluble
214 K D -2.5863 Soluble
215 V D -1.4669 Soluble
216 D D -2.3804 Soluble
217 K D -2.0510 Soluble
218 R D -2.4525 Soluble
219 V D 0.0000 Buried
220 E D -2.2594 Soluble
221 P D -1.5988 Soluble
222 K D -2.3014 Soluble
1 D C -1.4338 Soluble
2 I C 0.0000 Buried
3 L C 0.6684 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.2891 Soluble
6 Q C -0.0275 Soluble
7 S C 0.0778 Aggregation-prone
8 P C 0.6985 Aggregation-prone
9 V C 1.6943 Aggregation-prone
10 I C 1.0435 Aggregation-prone
11 L C 0.3120 Aggregation-prone
12 S C -0.5681 Soluble
13 V C -1.0786 Soluble
14 S C -1.8091 Soluble
15 P C -2.0794 Soluble
16 G C -2.2225 Soluble
17 E C -2.9814 Soluble
18 R C -3.0971 Soluble
19 V C 0.0000 Buried
20 S C -0.9196 Soluble
21 F C 0.0000 Buried
22 S C -0.7559 Soluble
23 C C 0.0000 Buried
24 R C -2.1793 Soluble
25 A C -1.2144 Soluble
26 S C -0.9314 Soluble
27 Q C -1.4743 Soluble
28 S C -1.4622 Soluble
29 I C 0.0000 Buried
36 G C -1.0203 Soluble
37 T C -0.8554 Soluble
38 N C -0.9137 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -1.2197 Soluble
45 R C -1.6216 Soluble
46 T C -1.4722 Soluble
47 N C -1.7119 Soluble
48 G C -1.4417 Soluble
49 S C -0.9996 Soluble
50 P C 0.0000 Buried
51 R C -1.0813 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.8577 Soluble
56 Y C -0.6824 Soluble
57 A C 0.0000 Buried
65 S C -1.3130 Soluble
66 E C -2.0363 Soluble
67 S C -1.1961 Soluble
68 I C -0.5505 Soluble
69 S C -0.3253 Soluble
70 G C -0.4558 Soluble
71 I C -0.2685 Soluble
72 P C -0.3176 Soluble
74 S C -0.5484 Soluble
75 R C -1.0780 Soluble
76 F C 0.0000 Buried
77 S C -0.8578 Soluble
78 G C -0.7399 Soluble
79 S C -0.9122 Soluble
80 G C -1.1653 Soluble
83 S C -1.0342 Soluble
84 G C -1.3257 Soluble
85 T C -1.9306 Soluble
86 D C -2.6904 Soluble
87 F C 0.0000 Buried
88 T C -0.8945 Soluble
89 L C 0.0000 Buried
90 S C -0.8758 Soluble
91 I C 0.0000 Buried
92 N C -2.3379 Soluble
93 S C -2.3284 Soluble
94 V C 0.0000 Buried
95 E C -2.8099 Soluble
96 S C -2.8075 Soluble
97 E C -3.0164 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C -1.4468 Soluble
101 D C -0.8292 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 N C -0.8034 Soluble
108 N C -1.2084 Soluble
109 N C -0.9871 Soluble
114 W C 0.0579 Aggregation-prone
115 P C -0.2342 Soluble
116 T C 0.0000 Buried
117 T C -0.0495 Soluble
118 F C 0.1900 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0074 Aggregation-prone
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -1.1132 Soluble
124 L C 0.0000 Buried
125 E C -1.4876 Soluble
126 L C 0.0000 Buried
127 K C -1.6547 Soluble
128 R C -1.1315 Soluble
129 T C 0.0467 Aggregation-prone
130 V C 0.6531 Aggregation-prone
131 A C 0.1161 Aggregation-prone
132 A C -0.0126 Soluble
133 P C 0.0000 Buried
134 S C -0.1661 Soluble
135 V C 0.0000 Buried
136 F C 0.0806 Aggregation-prone
137 I C 0.0710 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5043 Soluble
140 P C -0.8350 Soluble
141 S C -1.9354 Soluble
142 D C -3.2187 Soluble
143 E C -3.2270 Soluble
144 Q C 0.0000 Buried
145 L C -2.3107 Soluble
146 K C -2.8035 Soluble
147 S C -1.7175 Soluble
148 G C -1.3097 Soluble
149 T C -0.9726 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.9842 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.6984 Soluble
162 R C -3.1063 Soluble
163 E C -3.1928 Soluble
164 A C -2.2199 Soluble
165 K C -2.3630 Soluble
166 V C -1.1168 Soluble
167 Q C -0.8488 Soluble
168 W C 0.0000 Buried
169 K C -0.8719 Soluble
170 V C 0.0000 Buried
171 D C -1.8105 Soluble
172 N C -1.6189 Soluble
173 A C -0.5170 Soluble
174 L C 0.1131 Aggregation-prone
175 Q C -0.6484 Soluble
176 S C -0.8077 Soluble
177 G C -1.3054 Soluble
178 N C -1.6647 Soluble
179 S C -1.5883 Soluble
180 Q C -1.6006 Soluble
181 E C -2.1269 Soluble
182 S C -0.8875 Soluble
183 V C -1.1344 Soluble
184 T C -1.2430 Soluble
185 E C -2.3286 Soluble
186 Q C 0.0000 Buried
187 D C -2.3213 Soluble
188 S C -2.6938 Soluble
189 K C -2.9484 Soluble
190 D C -2.1698 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.8121 Soluble
199 L C 0.0000 Buried
200 T C -0.6793 Soluble
201 L C -0.8121 Soluble
202 S C -1.1717 Soluble
203 K C -1.9965 Soluble
204 A C -1.8555 Soluble
205 D C -2.4487 Soluble
206 Y C 0.0000 Buried
207 E C -3.5560 Soluble
208 K C -3.5902 Soluble
209 H C -2.8979 Soluble
210 K C -2.5130 Soluble
211 V C -0.9344 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -1.0469 Soluble
216 V C 0.0000 Buried
217 T C -1.1445 Soluble
218 H C 0.0000 Buried
219 Q C -1.6707 Soluble
220 G C -0.2727 Soluble
221 L C -0.1367 Soluble
222 S C -0.4351 Soluble
223 S C -0.4103 Soluble
224 P C -0.5382 Soluble
225 V C -0.1191 Soluble
226 T C -0.5709 Soluble
227 K C -0.8250 Soluble
228 S C -0.5308 Soluble
229 F C -0.4682 Soluble
230 N C -1.1929 Soluble
231 R C -1.7640 Soluble
232 G C -1.1601 Soluble
233 A C -0.5995 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 -0.6665 2.6516 CSV PDB
4.5 -0.705 2.5986 CSV PDB
5.0 -0.7513 2.5266 CSV PDB
5.5 -0.7962 2.445 CSV PDB
6.0 -0.8289 2.3599 CSV PDB
6.5 -0.8408 2.2736 CSV PDB
7.0 -0.8313 2.1871 CSV PDB
7.5 -0.807 2.1009 CSV PDB
8.0 -0.7746 2.0159 CSV PDB
8.5 -0.7365 2.0725 CSV PDB
9.0 -0.693 2.1944 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH