Cetuximab / 5itf

A4DAB063_5itf_D_C | Source PDB: 5itf | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6702
Max Score
2.1192
Min Score
-3.7043
Total Score
-286.17
Score CDR
-0.3005
Score non-CDR
-0.7148

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.7043
Maximum Score 2.1192
Average Score -0.6702
Total Score -286.1679

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

Index Residue Chain A4D Score Classification
1 Q D -1.4769 Soluble
2 V D -0.9094 Soluble
3 Q D -1.6856 Soluble
4 L D 0.0000 Buried
5 K D -2.3224 Soluble
6 Q D 0.0000 Buried
7 S D -0.8233 Soluble
8 G D -0.9854 Soluble
9 P D -0.3754 Soluble
11 G D -0.4672 Soluble
12 L D -0.1119 Soluble
13 V D 0.0000 Buried
14 Q D -1.6740 Soluble
15 P D -1.4782 Soluble
16 S D -1.5029 Soluble
17 Q D -1.7697 Soluble
18 S D -1.7524 Soluble
19 L D 0.0000 Buried
20 S D -0.9307 Soluble
21 I D 0.0000 Buried
22 T D -0.6080 Soluble
23 C D 0.0000 Buried
24 T D -1.1704 Soluble
25 V D 0.0000 Buried
26 S D -1.0879 Soluble
27 G D -0.9854 Soluble
28 F D -0.5487 Soluble
29 S D -0.9679 Soluble
30 L D 0.0000 Buried
35 T D -1.0139 Soluble
36 N D -0.8699 Soluble
37 Y D 0.4900 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 -0.4515 Soluble
45 S D 0.0000 Buried
46 P D -1.1706 Soluble
47 G D -1.7483 Soluble
48 K D -2.2402 Soluble
49 G D -1.1511 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 -0.5124 Soluble
58 S D -0.6733 Soluble
59 G D -1.2557 Soluble
63 G D -1.5368 Soluble
64 N D -1.8661 Soluble
65 T D -1.3772 Soluble
66 D D -1.1586 Soluble
67 Y D -0.4410 Soluble
68 N D 0.0000 Buried
69 T D -0.2031 Soluble
70 P D -0.3656 Soluble
71 F D 0.0000 Buried
72 T D -0.4877 Soluble
74 S D -0.6645 Soluble
75 R D -1.2848 Soluble
76 L D 0.0000 Buried
77 S D -1.2800 Soluble
78 I D 0.0000 Buried
79 N D -1.8442 Soluble
80 K D -1.5902 Soluble
81 D D -2.0086 Soluble
82 N D -2.6170 Soluble
83 S D -1.8774 Soluble
84 K D -2.4897 Soluble
85 S D -1.7638 Soluble
86 Q D -1.6500 Soluble
87 V D 0.0000 Buried
88 F D -0.4640 Soluble
89 F D 0.0000 Buried
90 K D -2.0457 Soluble
91 M D 0.0000 Buried
92 N D -2.2433 Soluble
93 S D -1.5736 Soluble
94 L D 0.0000 Buried
95 Q D -1.9281 Soluble
96 S D -1.4511 Soluble
97 N D -1.9907 Soluble
98 D D 0.0000 Buried
99 T D -0.5584 Soluble
100 A D 0.0000 Buried
101 I D 0.5479 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 0.9949 Aggregation-prone
109 T D 1.1608 Aggregation-prone
110 Y D 1.8565 Aggregation-prone
111 Y D 1.9817 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6482 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.1849 Aggregation-prone
117 Y D 0.0483 Aggregation-prone
118 W D -0.5680 Soluble
119 G D 0.0000 Buried
120 Q D -1.8250 Soluble
121 G D -0.8771 Soluble
122 T D 0.0000 Buried
123 L D 0.3292 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3165 Soluble
126 V D 0.0000 Buried
127 S D -0.6893 Soluble
128 A D -0.4652 Soluble
129 A D -0.3924 Soluble
130 S D -0.6265 Soluble
131 T D -0.9260 Soluble
132 K D -1.6430 Soluble
133 G D -1.5948 Soluble
134 P D -0.7278 Soluble
135 S D -0.5400 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.2139 Soluble
139 L D 0.0000 Buried
140 A D -0.8064 Soluble
141 P D -0.6488 Soluble
142 S D -0.7512 Soluble
143 G D -0.7751 Soluble
144 G D -0.8637 Soluble
145 T D -0.6172 Soluble
146 A D 0.0000 Buried
147 A D 0.0000 Buried
148 L D 0.0000 Buried
149 G D 0.0000 Buried
150 C D 0.0000 Buried
151 L D 0.0000 Buried
152 V D 0.0000 Buried
153 K D 0.0000 Buried
154 D D -0.4855 Soluble
155 Y D 0.0000 Buried
156 F D 0.0000 Buried
157 P D 0.0000 Buried
158 E D -0.2088 Soluble
159 P D -0.4938 Soluble
160 V D -0.6169 Soluble
161 T D -0.6245 Soluble
162 V D -0.2388 Soluble
163 S D -0.4528 Soluble
164 W D 0.0000 Buried
165 N D -0.8382 Soluble
166 S D -0.6972 Soluble
167 G D -0.5031 Soluble
168 A D -0.2327 Soluble
169 L D 0.0048 Aggregation-prone
170 T D -0.1430 Soluble
171 S D -0.1590 Soluble
172 G D -0.1678 Soluble
173 V D 0.2398 Aggregation-prone
174 H D 0.0000 Buried
175 T D 0.0940 Aggregation-prone
176 F D 0.0000 Buried
177 P D -0.1911 Soluble
178 A D 0.3400 Aggregation-prone
179 V D 0.5928 Aggregation-prone
180 L D 1.3037 Aggregation-prone
181 Q D 0.3666 Aggregation-prone
182 S D -0.0131 Soluble
183 S D -0.1683 Soluble
184 G D 0.0950 Aggregation-prone
185 L D 0.1772 Aggregation-prone
186 Y D 0.5017 Aggregation-prone
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D -0.0156 Soluble
190 S D 0.0000 Buried
191 V D 0.0000 Buried
192 V D 0.0000 Buried
193 T D -0.1125 Soluble
194 V D 0.0000 Buried
195 P D -0.6377 Soluble
196 S D -0.6626 Soluble
197 S D -0.6146 Soluble
198 S D 0.0000 Buried
199 L D -0.7584 Soluble
200 G D -0.9361 Soluble
201 T D -0.7872 Soluble
202 Q D -1.3195 Soluble
203 T D -1.1035 Soluble
204 Y D 0.0000 Buried
205 I D -1.2952 Soluble
206 C D 0.0000 Buried
207 N D -1.6396 Soluble
208 V D 0.0000 Buried
209 N D -2.1310 Soluble
210 H D 0.0000 Buried
211 K D -2.6831 Soluble
212 P D -1.5945 Soluble
213 S D -1.9245 Soluble
214 N D -2.5998 Soluble
215 T D -2.1159 Soluble
216 K D -2.7605 Soluble
217 V D -1.7327 Soluble
218 D D -2.5939 Soluble
219 K D -2.1910 Soluble
220 R D -2.3612 Soluble
221 V D 0.0000 Buried
222 E D -2.2156 Soluble
223 P D -1.5787 Soluble
224 K D -2.2616 Soluble
1 D C -1.4320 Soluble
2 I C 0.0000 Buried
3 L C 0.6098 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3162 Soluble
6 Q C 0.0000 Buried
7 S C 0.1721 Aggregation-prone
8 P C 0.9569 Aggregation-prone
9 V C 2.1192 Aggregation-prone
10 I C 1.8016 Aggregation-prone
11 L C 0.8303 Aggregation-prone
12 S C -0.1725 Soluble
13 V C -1.0125 Soluble
14 S C -1.6401 Soluble
15 P C -1.7978 Soluble
16 G C -2.2123 Soluble
17 E C -3.1044 Soluble
18 R C -3.4754 Soluble
19 V C 0.0000 Buried
20 S C -1.0156 Soluble
21 F C 0.0000 Buried
22 S C -0.7531 Soluble
23 C C 0.0000 Buried
24 R C -2.3970 Soluble
25 A C 0.0000 Buried
26 S C -1.0100 Soluble
27 Q C -1.5103 Soluble
28 S C -1.4456 Soluble
29 I C 0.0000 Buried
36 G C -0.9266 Soluble
37 T C -0.7190 Soluble
38 N C -0.7362 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 -1.1556 Soluble
45 R C -1.8098 Soluble
46 T C -1.6432 Soluble
47 N C -1.8101 Soluble
48 G C -1.5023 Soluble
49 S C -0.9838 Soluble
50 P C 0.0000 Buried
51 R C -0.7132 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.8003 Soluble
56 Y C -0.6387 Soluble
57 A C 0.0000 Buried
65 S C -1.3081 Soluble
66 E C -2.0371 Soluble
67 S C -1.2111 Soluble
68 I C -0.5500 Soluble
69 S C -0.3488 Soluble
70 G C -0.4799 Soluble
71 I C -0.2725 Soluble
72 P C -0.3443 Soluble
74 S C -0.6531 Soluble
75 R C -1.2874 Soluble
76 F C 0.0000 Buried
77 S C -0.9607 Soluble
78 G C -0.7559 Soluble
79 S C -0.8361 Soluble
80 G C -1.0089 Soluble
83 S C -0.8473 Soluble
84 G C -1.2373 Soluble
85 T C -1.7806 Soluble
86 D C -2.3144 Soluble
87 F C 0.0000 Buried
88 T C -0.8488 Soluble
89 L C 0.0000 Buried
90 S C -1.0552 Soluble
91 I C 0.0000 Buried
92 N C -2.9076 Soluble
93 S C -2.5063 Soluble
94 V C 0.0000 Buried
95 E C -2.2342 Soluble
96 S C -1.9891 Soluble
97 E C -1.9521 Soluble
98 D C 0.0000 Buried
99 I C -1.3056 Soluble
100 A C 0.0000 Buried
101 D C -0.4558 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 -0.5179 Soluble
108 N C -1.0622 Soluble
109 N C -0.9168 Soluble
114 W C 0.1728 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C 0.0298 Aggregation-prone
118 F C 0.2094 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.1029 Aggregation-prone
121 G C 0.2299 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.0268 Soluble
124 L C 0.0000 Buried
125 E C -0.6876 Soluble
126 L C 0.0000 Buried
127 K C -1.4173 Soluble
128 R C -1.0409 Soluble
129 T C -0.0331 Soluble
130 V C 0.5500 Aggregation-prone
131 A C 0.2183 Aggregation-prone
132 A C -0.0182 Soluble
133 P C 0.0000 Buried
134 S C -0.1850 Soluble
135 V C 0.0000 Buried
136 F C 0.1806 Aggregation-prone
137 I C 0.1058 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.4284 Soluble
140 P C -0.7988 Soluble
141 S C -1.8215 Soluble
142 D C -2.9710 Soluble
143 E C -3.0730 Soluble
144 Q C 0.0000 Buried
145 L C -2.3063 Soluble
146 K C -2.8021 Soluble
147 S C -1.7637 Soluble
148 G C -1.2684 Soluble
149 T C -1.0837 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 -0.7821 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3573 Soluble
162 R C -2.1796 Soluble
163 E C -2.8202 Soluble
164 A C -2.1407 Soluble
165 K C -2.2227 Soluble
166 V C 0.0000 Buried
167 Q C -0.8637 Soluble
168 W C 0.0000 Buried
169 K C -0.9090 Soluble
170 V C 0.0000 Buried
171 D C -2.1543 Soluble
172 N C -1.7684 Soluble
173 A C -0.5490 Soluble
174 L C 0.2215 Aggregation-prone
175 Q C -0.3374 Soluble
176 S C -0.5012 Soluble
177 G C -0.8824 Soluble
178 N C -0.7923 Soluble
179 S C -1.0707 Soluble
180 Q C -1.2091 Soluble
181 E C -1.4785 Soluble
182 S C -0.4578 Soluble
183 V C -0.4065 Soluble
184 T C -0.8845 Soluble
185 E C -2.1043 Soluble
186 Q C 0.0000 Buried
187 D C -2.0680 Soluble
188 S C -2.2408 Soluble
189 K C -2.5837 Soluble
190 D C -1.9015 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
197 S C 0.0000 Buried
198 T C -0.5426 Soluble
199 L C 0.0000 Buried
200 T C -0.4395 Soluble
201 L C -0.7117 Soluble
202 S C -1.1041 Soluble
203 K C -2.1406 Soluble
204 A C -1.9448 Soluble
205 D C -2.6395 Soluble
206 Y C 0.0000 Buried
207 E C -3.6234 Soluble
208 K C -3.7043 Soluble
209 H C -3.2001 Soluble
210 K C -3.1136 Soluble
211 V C -1.4997 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9606 Soluble
216 V C 0.0000 Buried
217 T C -1.2528 Soluble
218 H C 0.0000 Buried
219 Q C -1.6508 Soluble
220 G C -0.3603 Soluble
221 L C -0.2008 Soluble
222 S C -0.4488 Soluble
223 S C -0.4366 Soluble
224 P C -0.5856 Soluble
225 V C -0.1168 Soluble
226 T C -0.5071 Soluble
227 K C -0.5523 Soluble
228 S C -0.4261 Soluble
229 F C -0.6025 Soluble
230 N C -1.4689 Soluble
231 R C -2.0867 Soluble
232 G C -1.3128 Soluble
233 A C -0.6824 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 -0.6799 2.6761 CSV PDB
4.5 -0.7149 2.6274 CSV PDB
5.0 -0.7569 2.5609 CSV PDB
5.5 -0.7971 2.4855 CSV PDB
6.0 -0.8253 2.4067 CSV PDB
6.5 -0.8331 2.3297 CSV PDB
7.0 -0.8198 2.3735 CSV PDB
7.5 -0.7924 2.4275 CSV PDB
8.0 -0.7576 2.4862 CSV PDB
8.5 -0.7177 2.5474 CSV PDB
9.0 -0.673 2.6101 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH