Cetuximab / 6ayn

A4DAB063_6ayn_D_C | Source PDB: 6ayn | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6517
Max Score
2.0531
Min Score
-3.4339
Total Score
-280.23
Score CDR
-0.3128
Score non-CDR
-0.6923

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.4339
Maximum Score 2.0531
Average Score -0.6517
Total Score -280.2273

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

Index Residue Chain A4D Score Classification
1 Q D -1.3910 Soluble
2 V D -0.7286 Soluble
3 Q D -1.3838 Soluble
4 L D 0.0000 Buried
5 K D -2.1456 Soluble
6 Q D 0.0000 Buried
7 S D -0.7418 Soluble
8 G D -0.9607 Soluble
9 P D -0.3826 Soluble
11 G D -0.3427 Soluble
12 L D 0.2985 Aggregation-prone
13 V D -0.1524 Soluble
15 P D -1.0392 Soluble
16 S D -1.3726 Soluble
17 Q D -1.7017 Soluble
18 S D -1.4386 Soluble
19 L D 0.0000 Buried
20 S D -0.5755 Soluble
21 I D 0.0000 Buried
22 T D -0.4521 Soluble
23 C D 0.0000 Buried
24 T D -1.0751 Soluble
25 V D 0.0000 Buried
26 S D -1.1432 Soluble
27 G D -0.9125 Soluble
28 F D -0.5070 Soluble
29 S D -0.8790 Soluble
30 L D 0.0000 Buried
35 T D -0.8964 Soluble
36 N D -0.8429 Soluble
37 Y D 0.4408 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 -0.4500 Soluble
45 S D -1.0023 Soluble
46 P D -1.1772 Soluble
47 G D -1.7465 Soluble
48 K D -2.2354 Soluble
49 G D -1.1376 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 -0.5533 Soluble
58 S D -0.6667 Soluble
59 G D -1.2237 Soluble
63 G D -1.5275 Soluble
64 N D -1.8493 Soluble
65 T D -1.3106 Soluble
66 D D -1.0043 Soluble
67 Y D -0.3871 Soluble
68 N D 0.0000 Buried
69 T D -0.2977 Soluble
70 P D -0.3753 Soluble
71 F D 0.0000 Buried
72 T D -0.4738 Soluble
74 S D -0.5908 Soluble
75 R D -1.0174 Soluble
76 L D 0.0000 Buried
77 S D -0.9916 Soluble
78 I D 0.0000 Buried
79 N D -1.6813 Soluble
80 K D -1.3925 Soluble
81 D D -1.7286 Soluble
82 N D -2.1351 Soluble
83 S D -1.6456 Soluble
84 K D -2.3390 Soluble
85 S D -1.5756 Soluble
86 Q D -1.4702 Soluble
87 V D 0.0000 Buried
88 F D -0.1990 Soluble
89 F D 0.0000 Buried
90 K D -1.3837 Soluble
91 M D 0.0000 Buried
92 N D -1.6991 Soluble
93 S D -1.4382 Soluble
94 L D 0.0000 Buried
95 Q D -2.0506 Soluble
96 S D -1.4503 Soluble
97 N D -2.1021 Soluble
98 D D 0.0000 Buried
99 T D -0.6005 Soluble
100 A D 0.0000 Buried
101 I D 0.5447 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 1.0484 Aggregation-prone
109 T D 1.1930 Aggregation-prone
110 Y D 1.8706 Aggregation-prone
111 Y D 1.9794 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.6536 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2749 Aggregation-prone
117 Y D 0.2298 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.7746 Soluble
121 G D -0.8549 Soluble
122 T D 0.0000 Buried
123 L D 0.3115 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.1124 Soluble
126 V D 0.0000 Buried
127 S D -0.3494 Soluble
128 A D -0.0978 Soluble
129 A D -0.1082 Soluble
130 S D -0.3589 Soluble
131 T D -0.5601 Soluble
132 K D -1.2186 Soluble
133 G D -1.3481 Soluble
134 P D 0.0000 Buried
135 S D -0.1834 Soluble
136 V D 0.0000 Buried
137 F D -0.3534 Soluble
138 P D -1.0752 Soluble
139 L D 0.0000 Buried
140 A D -1.2793 Soluble
141 P D 0.0000 Buried
142 S D -1.0271 Soluble
143 S D -0.7186 Soluble
144 K D -1.1545 Soluble
145 S D 0.0000 Buried
146 T D -0.7389 Soluble
147 S D -0.7747 Soluble
148 G D -0.8271 Soluble
149 G D -0.9011 Soluble
150 T D -0.6288 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.3117 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.2739 Soluble
164 P D -0.5015 Soluble
165 V D -0.5670 Soluble
166 T D -0.5438 Soluble
167 V D -0.3393 Soluble
168 S D -0.4008 Soluble
169 W D 0.0000 Buried
170 N D -0.8765 Soluble
171 S D -0.6907 Soluble
172 G D -0.5027 Soluble
173 A D -0.2386 Soluble
174 L D -0.0166 Soluble
175 T D -0.1852 Soluble
176 S D -0.2079 Soluble
177 G D -0.2695 Soluble
178 V D 0.1385 Aggregation-prone
179 H D -0.2870 Soluble
180 T D -0.1311 Soluble
181 F D 0.0000 Buried
182 P D -0.1941 Soluble
183 A D 0.3400 Aggregation-prone
184 V D 0.6346 Aggregation-prone
185 L D 1.2917 Aggregation-prone
186 Q D 0.3405 Aggregation-prone
187 S D -0.0402 Soluble
188 S D -0.1806 Soluble
189 G D 0.1025 Aggregation-prone
190 L D 0.2461 Aggregation-prone
191 Y D 0.5572 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1529 Soluble
199 V D 0.0000 Buried
200 P D -0.5385 Soluble
201 S D -0.5785 Soluble
202 S D -0.5983 Soluble
203 S D -0.6716 Soluble
204 L D -0.8775 Soluble
205 G D -1.0326 Soluble
206 T D -0.8002 Soluble
207 Q D -1.3851 Soluble
208 T D -1.3023 Soluble
209 Y D 0.0000 Buried
210 I D -1.5684 Soluble
211 C D 0.0000 Buried
212 N D -1.5921 Soluble
213 V D 0.0000 Buried
214 N D -1.9472 Soluble
215 H D 0.0000 Buried
216 K D -2.6705 Soluble
217 P D -1.5178 Soluble
218 S D -1.7921 Soluble
219 N D -2.5371 Soluble
220 T D -2.0304 Soluble
221 K D -2.7107 Soluble
222 V D -1.8103 Soluble
223 D D -2.6978 Soluble
224 K D -2.4726 Soluble
225 R D -2.8045 Soluble
226 V D 0.0000 Buried
227 E D -2.9242 Soluble
228 P D -1.8807 Soluble
229 K D -2.4215 Soluble
1 D C -1.4467 Soluble
2 I C 0.0000 Buried
3 L C 0.6266 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.2936 Soluble
6 Q C 0.0000 Buried
7 S C 0.2483 Aggregation-prone
8 P C 0.9673 Aggregation-prone
9 V C 2.0531 Aggregation-prone
10 I C 1.8223 Aggregation-prone
11 L C 0.8003 Aggregation-prone
12 S C 0.0739 Aggregation-prone
13 V C 0.0000 Buried
14 S C -1.6748 Soluble
15 P C -1.9743 Soluble
16 G C -2.0346 Soluble
17 E C -2.8381 Soluble
18 R C -3.0683 Soluble
19 V C 0.0000 Buried
20 S C -0.9035 Soluble
21 F C 0.0000 Buried
22 S C -0.7770 Soluble
23 C C 0.0000 Buried
24 R C -2.3405 Soluble
25 A C -1.3052 Soluble
26 S C -0.9873 Soluble
27 Q C -1.6185 Soluble
28 S C -1.5480 Soluble
29 I C 0.0000 Buried
36 G C -1.0635 Soluble
37 T C -0.8113 Soluble
38 N C -0.8341 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 -1.3708 Soluble
45 R C -2.0810 Soluble
46 T C -1.7900 Soluble
47 N C -2.0437 Soluble
48 G C -1.5877 Soluble
49 S C -1.0378 Soluble
50 P C 0.0000 Buried
51 R C -0.6986 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7697 Soluble
56 Y C -0.6004 Soluble
57 A C 0.0000 Buried
65 S C -1.2565 Soluble
66 E C -2.0262 Soluble
67 S C -1.2042 Soluble
68 I C -0.5859 Soluble
69 S C -0.5306 Soluble
70 G C -0.4823 Soluble
71 I C -0.2668 Soluble
72 P C -0.3465 Soluble
74 S C -0.5324 Soluble
75 R C -0.9417 Soluble
76 F C 0.0000 Buried
77 S C -0.8588 Soluble
78 G C -0.7585 Soluble
79 S C -0.8872 Soluble
80 G C -1.1072 Soluble
83 S C -1.1645 Soluble
84 G C -1.3345 Soluble
85 T C -1.9145 Soluble
86 D C -2.5419 Soluble
87 F C 0.0000 Buried
88 T C -0.8894 Soluble
89 L C 0.0000 Buried
90 S C -0.8428 Soluble
91 I C 0.0000 Buried
92 N C -2.0084 Soluble
93 S C -2.0334 Soluble
94 V C 0.0000 Buried
95 E C -2.3424 Soluble
96 S C -2.0808 Soluble
97 E C -2.2813 Soluble
98 D C 0.0000 Buried
99 I C -1.4591 Soluble
100 A C 0.0000 Buried
101 D C -0.8724 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 -0.6580 Soluble
108 N C -1.3703 Soluble
109 N C -1.1686 Soluble
114 W C 0.0489 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.0291 Soluble
118 F C 0.2179 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0032 Aggregation-prone
121 G C 0.1041 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.2939 Soluble
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 L C 0.0000 Buried
127 K C -1.4219 Soluble
128 R C -1.1666 Soluble
129 T C -0.1924 Soluble
130 V C 0.2623 Aggregation-prone
131 A C -0.0505 Soluble
132 A C -0.1069 Soluble
133 P C 0.0000 Buried
134 S C -0.2120 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.7238 Soluble
140 P C -0.5651 Soluble
141 S C -1.2640 Soluble
142 D C -2.3150 Soluble
144 Q C 0.0000 Buried
145 L C -1.7679 Soluble
146 K C -2.3102 Soluble
147 S C -1.4339 Soluble
148 G C -1.0673 Soluble
149 T C -0.8160 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 -0.8756 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.4707 Soluble
162 R C -2.3636 Soluble
163 E C -2.8258 Soluble
164 A C -2.1628 Soluble
165 K C -2.5521 Soluble
166 V C 0.0000 Buried
167 Q C -0.8665 Soluble
168 W C 0.0000 Buried
169 K C -0.7653 Soluble
170 V C 0.0000 Buried
171 D C -1.9484 Soluble
172 N C -1.6059 Soluble
173 A C -0.4321 Soluble
174 L C 0.3109 Aggregation-prone
175 Q C -0.5145 Soluble
176 S C -0.7610 Soluble
177 G C -1.3193 Soluble
178 N C -1.6872 Soluble
179 S C -1.6112 Soluble
180 Q C -1.6080 Soluble
181 E C -2.0603 Soluble
182 S C -0.8301 Soluble
183 V C -0.5156 Soluble
184 T C -0.8868 Soluble
185 E C -2.1789 Soluble
186 Q C 0.0000 Buried
187 D C -1.9285 Soluble
188 S C -2.2595 Soluble
189 K C -2.5606 Soluble
190 D C -1.8103 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 -0.8471 Soluble
199 L C 0.0000 Buried
200 T C -0.6753 Soluble
201 L C -0.7852 Soluble
202 S C -1.1507 Soluble
203 K C -1.9212 Soluble
204 A C -1.7643 Soluble
205 D C -2.3729 Soluble
206 Y C 0.0000 Buried
207 E C -3.1639 Soluble
208 K C -3.4339 Soluble
209 H C -3.0142 Soluble
210 K C -3.0053 Soluble
211 V C -1.5321 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9450 Soluble
216 V C 0.0000 Buried
217 T C -1.1582 Soluble
218 H C 0.0000 Buried
219 Q C -1.6378 Soluble
220 G C -0.3858 Soluble
221 L C -0.1707 Soluble
222 S C -0.4181 Soluble
223 S C -0.4020 Soluble
224 P C -0.5344 Soluble
225 V C -0.0767 Soluble
226 T C -0.4846 Soluble
227 K C -0.8075 Soluble
228 S C -0.8252 Soluble
229 F C 0.0000 Buried
230 N C -2.1240 Soluble
231 R C -2.2865 Soluble
232 G C -1.4632 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
Load structure at specific pH condition
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 -0.6846 2.4215 CSV PDB
4.5 -0.719 2.3511 CSV PDB
5.0 -0.7594 2.2714 CSV PDB
5.5 -0.7977 2.1916 CSV PDB
6.0 -0.8243 2.1916 CSV PDB
6.5 -0.8313 2.1916 CSV PDB
7.0 -0.8186 2.1915 CSV PDB
7.5 -0.7926 2.2523 CSV PDB
8.0 -0.7594 2.3188 CSV PDB
8.5 -0.7207 2.4208 CSV PDB
9.0 -0.6771 2.525 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH