Cetuximab / 5itf

A4DAB063_5itf_B_A | Source PDB: 5itf | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6619
Max Score
2.3146
Min Score
-3.4664
Total Score
-283.96
Score CDR
-0.3013
Score non-CDR
-0.7052

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA input.pdb
Selected Chain(s) B (Heavy), A (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 -3.4664
Maximum Score 2.3146
Average Score -0.6619
Total Score -283.9598

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

Index Residue Chain A4D Score Classification
1 Q B -1.5693 Soluble
2 V B -1.0972 Soluble
3 Q B -2.0051 Soluble
4 L B 0.0000 Buried
5 K B -2.3867 Soluble
6 Q B 0.0000 Buried
7 S B -0.8456 Soluble
8 G B -1.1643 Soluble
9 P B -0.4983 Soluble
11 G B -0.4064 Soluble
12 L B -0.1192 Soluble
13 V B 0.0000 Buried
14 Q B -1.7517 Soluble
15 P B -1.5600 Soluble
16 S B -1.5534 Soluble
17 Q B -1.9763 Soluble
18 S B -1.6921 Soluble
19 L B 0.0000 Buried
20 S B -0.6771 Soluble
21 I B 0.0000 Buried
22 T B -0.5069 Soluble
23 C B 0.0000 Buried
24 T B -1.2018 Soluble
25 V B 0.0000 Buried
26 S B -1.4240 Soluble
27 G B -1.1234 Soluble
28 F B -0.6146 Soluble
29 S B -0.9525 Soluble
30 L B 0.0000 Buried
35 T B -0.9756 Soluble
36 N B -0.8713 Soluble
37 Y B 0.4856 Aggregation-prone
38 G B 0.0000 Buried
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.4599 Soluble
45 S B -1.0223 Soluble
46 P B -1.1871 Soluble
47 G B -1.7345 Soluble
48 K B -2.2463 Soluble
49 G B -1.1379 Soluble
50 L B 0.0000 Buried
51 E B 0.0000 Buried
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 W B -0.4745 Soluble
58 S B -0.6421 Soluble
59 G B -1.2379 Soluble
63 G B -1.5407 Soluble
64 N B -1.8270 Soluble
65 T B -1.2747 Soluble
66 D B -0.9668 Soluble
67 Y B -0.3260 Soluble
68 N B 0.0000 Buried
69 T B -0.1798 Soluble
70 P B -0.3583 Soluble
71 F B 0.0000 Buried
72 T B -0.4295 Soluble
74 S B -0.5858 Soluble
75 R B -1.0504 Soluble
76 L B 0.0000 Buried
77 S B -1.0346 Soluble
78 I B 0.0000 Buried
79 N B -1.7340 Soluble
80 K B -1.5454 Soluble
81 D B -1.9590 Soluble
82 N B -2.6226 Soluble
83 S B -1.8744 Soluble
84 K B -2.5053 Soluble
85 S B -1.7858 Soluble
86 Q B -1.5897 Soluble
87 V B 0.0000 Buried
88 F B -0.2002 Soluble
89 F B 0.0000 Buried
90 K B -1.5377 Soluble
91 M B 0.0000 Buried
92 N B -1.8560 Soluble
93 S B -1.5253 Soluble
94 L B 0.0000 Buried
95 Q B -2.0517 Soluble
96 S B -1.5084 Soluble
97 N B -2.0255 Soluble
98 D B 0.0000 Buried
99 T B -0.5786 Soluble
100 A B 0.0000 Buried
101 I B 0.5887 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 A B 0.0000 Buried
108 L B 1.0343 Aggregation-prone
109 T B 1.1790 Aggregation-prone
110 Y B 1.8795 Aggregation-prone
111 Y B 1.9865 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.6563 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.1786 Aggregation-prone
117 Y B 0.0057 Aggregation-prone
118 W B -0.5754 Soluble
119 G B 0.0000 Buried
120 Q B -1.6778 Soluble
121 G B -0.7955 Soluble
122 T B 0.0000 Buried
123 L B 0.2678 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.3460 Soluble
126 V B 0.0000 Buried
127 S B -0.6200 Soluble
128 A B -0.4471 Soluble
129 A B -0.3929 Soluble
130 S B -0.6292 Soluble
131 T B -0.8864 Soluble
132 K B -1.5318 Soluble
133 G B -1.5832 Soluble
134 P B -0.7046 Soluble
135 S B -0.4537 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.3125 Soluble
139 L B 0.0000 Buried
140 A B -1.2707 Soluble
141 P B 0.0000 Buried
142 S B -0.9106 Soluble
143 S B -0.4328 Soluble
144 S B -0.6396 Soluble
145 G B -0.8569 Soluble
146 G B -0.9583 Soluble
147 T B -0.6634 Soluble
148 A B 0.0000 Buried
149 A B 0.0000 Buried
150 L B 0.0000 Buried
151 G B 0.0000 Buried
152 C B 0.0000 Buried
153 L B 0.0000 Buried
154 V B 0.0000 Buried
155 K B 0.0000 Buried
156 D B -0.5426 Soluble
157 Y B 0.0000 Buried
158 F B 0.0000 Buried
159 P B 0.0000 Buried
160 E B -0.3530 Soluble
161 P B -0.5680 Soluble
162 V B -0.5127 Soluble
163 T B -0.4944 Soluble
164 V B -0.1713 Soluble
165 S B -0.4029 Soluble
166 W B 0.0000 Buried
167 N B -0.8427 Soluble
168 S B -0.6980 Soluble
169 G B -0.4848 Soluble
170 A B -0.2335 Soluble
171 L B -0.0425 Soluble
172 T B -0.1756 Soluble
173 S B -0.1943 Soluble
174 G B -0.2191 Soluble
175 V B 0.1302 Aggregation-prone
176 H B -0.2299 Soluble
177 T B 0.0898 Aggregation-prone
178 F B 0.0000 Buried
179 P B -0.2094 Soluble
180 A B 0.4331 Aggregation-prone
181 V B 0.6736 Aggregation-prone
182 L B 1.3338 Aggregation-prone
183 Q B 0.2449 Aggregation-prone
184 S B -0.0630 Soluble
185 S B -0.2471 Soluble
186 G B -0.0070 Soluble
187 L B 0.0282 Aggregation-prone
188 Y B 0.4466 Aggregation-prone
189 S B 0.0000 Buried
190 L B 0.3772 Aggregation-prone
191 S B 0.0000 Buried
192 S B 0.0000 Buried
193 V B 0.0000 Buried
194 V B 0.0000 Buried
195 T B -0.1513 Soluble
196 V B 0.0000 Buried
197 P B -0.5669 Soluble
198 S B -0.6827 Soluble
199 S B -0.6586 Soluble
200 S B -0.7090 Soluble
201 L B -0.8948 Soluble
202 G B -1.0340 Soluble
203 T B -0.8035 Soluble
204 Q B -1.3771 Soluble
205 T B -1.2715 Soluble
206 Y B 0.0000 Buried
207 I B -1.4838 Soluble
208 C B 0.0000 Buried
209 N B -1.5123 Soluble
210 V B 0.0000 Buried
211 N B -1.7366 Soluble
212 H B 0.0000 Buried
213 K B -2.5755 Soluble
214 P B -1.5414 Soluble
215 S B -1.8639 Soluble
216 N B -2.4802 Soluble
217 T B -1.9782 Soluble
218 K B -2.5714 Soluble
219 V B -1.6231 Soluble
220 D B -2.5469 Soluble
221 K B -2.0718 Soluble
222 R B -2.7463 Soluble
223 V B 0.0000 Buried
224 E B -2.9582 Soluble
225 P B -1.9679 Soluble
226 K B -2.4943 Soluble
1 D A -1.3895 Soluble
2 I A 0.0000 Buried
3 L A 0.7022 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.2180 Soluble
6 Q A 0.0000 Buried
7 S A 0.4007 Aggregation-prone
8 P A 1.1530 Aggregation-prone
9 V A 2.3146 Aggregation-prone
10 I A 2.2366 Aggregation-prone
11 L A 1.1346 Aggregation-prone
12 S A 0.0955 Aggregation-prone
13 V A -1.1474 Soluble
14 S A -1.6922 Soluble
15 P A -1.8908 Soluble
16 G A -2.0247 Soluble
17 E A -2.7917 Soluble
18 R A -3.2620 Soluble
19 V A 0.0000 Buried
20 S A -0.7961 Soluble
21 F A 0.0000 Buried
22 S A -0.7373 Soluble
23 C A 0.0000 Buried
24 R A -2.1545 Soluble
25 A A -1.1693 Soluble
26 S A -0.8872 Soluble
27 Q A -1.2409 Soluble
28 S A -1.4547 Soluble
29 I A 0.0000 Buried
36 G A -0.9469 Soluble
37 T A -0.7372 Soluble
38 N A -0.7505 Soluble
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.7547 Soluble
45 R A -2.7239 Soluble
46 T A -2.0911 Soluble
47 N A -2.0503 Soluble
48 G A -1.8181 Soluble
49 S A -1.1370 Soluble
50 P A 0.0000 Buried
51 R A -0.9793 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7099 Soluble
56 Y A -0.5796 Soluble
57 A A 0.0000 Buried
65 S A -1.2620 Soluble
66 E A -1.9968 Soluble
67 S A -1.1891 Soluble
68 I A -0.5859 Soluble
69 S A -0.3412 Soluble
70 G A -0.4774 Soluble
71 I A -0.2833 Soluble
72 P A -0.3422 Soluble
74 S A -0.6591 Soluble
75 R A -1.2928 Soluble
76 F A 0.0000 Buried
77 S A -0.9663 Soluble
78 G A 0.0000 Buried
79 S A -0.8862 Soluble
80 G A -1.1319 Soluble
83 S A -1.1889 Soluble
84 G A -1.3487 Soluble
85 T A -1.9196 Soluble
86 D A -2.7100 Soluble
87 F A 0.0000 Buried
88 T A -0.8787 Soluble
89 L A 0.0000 Buried
90 S A -1.0065 Soluble
91 I A 0.0000 Buried
92 N A -2.7468 Soluble
93 S A -2.3342 Soluble
94 V A 0.0000 Buried
95 E A -2.4608 Soluble
96 S A -1.8226 Soluble
98 D A -1.1785 Soluble
99 I A -1.3148 Soluble
100 A A 0.0000 Buried
101 D A -0.8118 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A -0.5774 Soluble
108 N A -1.0849 Soluble
109 N A -1.1210 Soluble
114 W A 0.0518 Aggregation-prone
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0289 Soluble
118 F A 0.1929 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0667 Aggregation-prone
121 G A 0.2504 Aggregation-prone
122 T A 0.0000 Buried
123 K A 0.2112 Aggregation-prone
124 L A 0.0000 Buried
125 E A 0.0000 Buried
126 L A 0.0000 Buried
127 K A -1.4086 Soluble
128 R A -1.0178 Soluble
129 T A 0.1604 Aggregation-prone
130 V A 1.0796 Aggregation-prone
131 A A 0.4569 Aggregation-prone
132 A A 0.0903 Aggregation-prone
133 P A 0.0000 Buried
134 S A -0.0535 Soluble
135 V A 0.0355 Aggregation-prone
136 F A 0.1105 Aggregation-prone
137 I A 0.1058 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.4942 Soluble
140 P A 0.0000 Buried
141 S A -1.7234 Soluble
142 D A -2.8943 Soluble
143 E A -2.5749 Soluble
144 Q A 0.0000 Buried
145 L A -2.0959 Soluble
146 K A -2.6687 Soluble
147 S A -1.6985 Soluble
148 G A -1.2805 Soluble
149 T A -1.0163 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.7144 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.1302 Soluble
162 R A -1.9727 Soluble
163 E A -2.7109 Soluble
164 A A -2.1263 Soluble
165 K A -2.4631 Soluble
166 V A 0.0000 Buried
167 Q A -0.9827 Soluble
168 W A 0.0000 Buried
169 K A -0.8114 Soluble
170 V A 0.0000 Buried
171 D A -2.0131 Soluble
172 N A -1.6185 Soluble
173 A A -0.3784 Soluble
174 L A 0.5745 Aggregation-prone
175 Q A -0.4325 Soluble
176 S A -0.7332 Soluble
177 G A -1.4140 Soluble
178 N A -1.8279 Soluble
179 S A -1.6235 Soluble
180 Q A -1.5972 Soluble
181 E A -1.4099 Soluble
182 S A -0.4295 Soluble
183 V A 0.0126 Aggregation-prone
184 T A -0.6591 Soluble
185 E A -1.7557 Soluble
186 Q A 0.0000 Buried
187 D A -1.7235 Soluble
188 S A -2.0191 Soluble
189 K A -2.3596 Soluble
190 D A -1.6151 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.7072 Soluble
199 L A 0.0000 Buried
200 T A -0.7420 Soluble
201 L A -0.8223 Soluble
202 S A -1.0142 Soluble
203 K A -1.9014 Soluble
204 A A -1.7794 Soluble
205 D A -2.5063 Soluble
206 Y A 0.0000 Buried
207 E A -3.1235 Soluble
208 K A -3.4664 Soluble
209 H A -2.8964 Soluble
210 K A -2.9206 Soluble
211 V A -1.2881 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -1.1147 Soluble
216 V A 0.0000 Buried
217 T A -1.3399 Soluble
218 H A 0.0000 Buried
219 Q A -1.3469 Soluble
220 G A -0.2198 Soluble
221 L A -0.1497 Soluble
222 S A -0.4643 Soluble
223 S A -0.4781 Soluble
224 P A -0.6783 Soluble
225 V A -0.1221 Soluble
226 T A -0.5327 Soluble
227 K A -0.7039 Soluble
228 S A -0.5156 Soluble
229 F A -0.5591 Soluble
230 N A -1.3749 Soluble
231 R A -2.0003 Soluble
232 G A -1.2121 Soluble
233 A A -0.6342 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.671 2.7673 CSV PDB
4.5 -0.7042 2.756 CSV PDB
5.0 -0.7434 2.7463 CSV PDB
5.5 -0.7805 2.7425 CSV PDB
6.0 -0.806 2.7534 CSV PDB
6.5 -0.8122 2.7879 CSV PDB
7.0 -0.7993 2.845 CSV PDB
7.5 -0.7739 2.9152 CSV PDB
8.0 -0.7418 2.9918 CSV PDB
8.5 -0.7052 3.0728 CSV PDB
9.0 -0.6637 3.1575 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH