Cetuximab / 5iv2

A4DAB063_5iv2_D_C | Source PDB: 5iv2 | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6696
Max Score
1.973
Min Score
-3.6061
Total Score
-283.93
Score CDR
-0.2951
Score non-CDR
-0.7152

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.6061
Maximum Score 1.973
Average Score -0.6696
Total Score -283.9282

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

Index Residue Chain A4D Score Classification
1 Q D -1.3970 Soluble
2 V D -0.7343 Soluble
3 Q D -1.3003 Soluble
4 L D 0.0000 Buried
5 K D -1.8643 Soluble
6 Q D 0.0000 Buried
7 S D -0.7785 Soluble
8 G D -1.0003 Soluble
9 P D -0.3681 Soluble
11 G D -0.2966 Soluble
12 L D 0.0426 Aggregation-prone
13 V D -0.5763 Soluble
14 Q D -1.1371 Soluble
15 P D -1.3719 Soluble
16 S D -1.5693 Soluble
17 Q D -1.9362 Soluble
18 S D -1.8951 Soluble
19 L D 0.0000 Buried
20 S D -0.8275 Soluble
21 I D 0.0000 Buried
22 T D -0.5646 Soluble
23 C D 0.0000 Buried
24 T D -1.0031 Soluble
25 V D 0.0000 Buried
26 S D -1.0390 Soluble
27 G D -0.8951 Soluble
28 F D -0.4829 Soluble
29 S D -0.9425 Soluble
30 L D 0.0000 Buried
35 T D -0.9919 Soluble
36 N D -0.8804 Soluble
37 Y D 0.4548 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 -0.4614 Soluble
45 S D -0.9964 Soluble
46 P D -1.1969 Soluble
47 G D -1.7597 Soluble
48 K D -2.2600 Soluble
49 G D -1.2417 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 -0.4961 Soluble
58 S D -0.6820 Soluble
59 G D -1.2581 Soluble
63 G D -1.5891 Soluble
64 N D -1.8448 Soluble
65 T D -1.2891 Soluble
66 D D -0.9697 Soluble
67 Y D -0.3538 Soluble
68 N D 0.0000 Buried
69 T D -0.2874 Soluble
70 P D -0.3798 Soluble
71 F D 0.0000 Buried
72 T D -0.4827 Soluble
74 S D -0.7216 Soluble
75 R D -1.4032 Soluble
76 L D 0.0000 Buried
77 S D -1.2438 Soluble
78 I D 0.0000 Buried
79 N D -1.8969 Soluble
80 K D -1.6791 Soluble
81 D D -2.0349 Soluble
82 N D -2.6370 Soluble
83 S D -1.8847 Soluble
84 K D -2.5000 Soluble
85 S D -1.7508 Soluble
86 Q D -1.6284 Soluble
87 V D 0.0000 Buried
88 F D -0.5082 Soluble
89 F D 0.0000 Buried
90 K D -1.9139 Soluble
92 N D -2.4339 Soluble
93 S D -1.7587 Soluble
94 L D 0.0000 Buried
95 Q D -2.1208 Soluble
96 S D -1.4758 Soluble
97 N D -2.0747 Soluble
98 D D 0.0000 Buried
99 T D -0.6031 Soluble
100 A D 0.0000 Buried
101 I D 0.5670 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 1.0301 Aggregation-prone
109 T D 1.1665 Aggregation-prone
110 Y D 1.8667 Aggregation-prone
111 Y D 1.9730 Aggregation-prone
112 D D 0.0000 Buried
113 Y D 0.5925 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.1919 Aggregation-prone
117 Y D 0.1955 Aggregation-prone
118 W D -0.4430 Soluble
119 G D 0.0000 Buried
120 Q D -1.7052 Soluble
121 G D -0.8457 Soluble
122 T D 0.0000 Buried
123 L D 0.2136 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.2578 Soluble
126 V D 0.0000 Buried
127 S D -0.5375 Soluble
128 A D -0.2062 Soluble
129 A D -0.2335 Soluble
130 S D -0.4692 Soluble
131 T D -0.6243 Soluble
132 K D -1.2813 Soluble
133 G D -1.3196 Soluble
134 P D -0.6236 Soluble
135 S D -0.4295 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D 0.0000 Buried
139 L D 0.0000 Buried
140 A D -1.0104 Soluble
141 P D -0.6537 Soluble
142 S D -0.7585 Soluble
143 G D -0.6495 Soluble
144 T D -0.4896 Soluble
145 A D -0.2727 Soluble
146 A D 0.0000 Buried
147 L D 0.0000 Buried
148 G D 0.0000 Buried
149 C D 0.0000 Buried
150 L D 0.0000 Buried
151 V D 0.0000 Buried
152 K D 0.0000 Buried
153 D D -0.4257 Soluble
154 Y D 0.0000 Buried
155 F D 0.0000 Buried
156 P D 0.0000 Buried
157 E D -0.3194 Soluble
158 P D -0.5197 Soluble
159 V D -0.4975 Soluble
160 T D -0.4792 Soluble
161 V D -0.3386 Soluble
162 S D -0.4334 Soluble
163 W D 0.0000 Buried
164 N D -0.8991 Soluble
165 S D -0.7266 Soluble
166 G D -0.5570 Soluble
167 A D -0.2600 Soluble
168 L D -0.0087 Soluble
169 T D -0.1466 Soluble
170 S D -0.1521 Soluble
171 G D -0.1695 Soluble
172 V D 0.2406 Aggregation-prone
173 H D 0.0000 Buried
174 T D 0.0694 Aggregation-prone
175 F D 0.0000 Buried
176 P D -0.2159 Soluble
177 A D 0.2553 Aggregation-prone
178 V D 0.5209 Aggregation-prone
179 L D 1.1546 Aggregation-prone
180 Q D 0.2777 Aggregation-prone
181 S D -0.0576 Soluble
182 S D -0.2197 Soluble
183 G D 0.0355 Aggregation-prone
184 L D 0.1400 Aggregation-prone
185 Y D 0.4502 Aggregation-prone
186 S D 0.0000 Buried
187 L D 0.1818 Aggregation-prone
188 S D 0.0000 Buried
189 S D 0.0000 Buried
190 V D 0.0000 Buried
191 V D 0.0000 Buried
192 T D -0.1175 Soluble
193 V D 0.0000 Buried
194 P D -0.5076 Soluble
195 S D -0.5824 Soluble
196 S D -0.6644 Soluble
197 S D -0.7181 Soluble
198 L D -0.8910 Soluble
199 G D -1.0246 Soluble
200 T D -0.8800 Soluble
201 Q D -1.4684 Soluble
202 T D -1.2787 Soluble
203 Y D 0.0000 Buried
204 I D -1.4248 Soluble
205 C D 0.0000 Buried
206 N D -1.5447 Soluble
207 V D 0.0000 Buried
208 N D -1.8595 Soluble
209 H D 0.0000 Buried
210 K D -2.0354 Soluble
211 P D -1.2602 Soluble
212 S D -1.5743 Soluble
213 N D -2.3024 Soluble
214 T D -1.8995 Soluble
215 K D -2.5892 Soluble
216 V D -1.6099 Soluble
217 D D -2.5599 Soluble
218 K D -2.1217 Soluble
219 R D -2.5214 Soluble
220 V D 0.0000 Buried
221 E D -2.2975 Soluble
222 P D -1.5877 Soluble
223 K D -2.2757 Soluble
1 D C -1.4066 Soluble
2 I C 0.0000 Buried
3 L C 0.6856 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.1913 Soluble
6 Q C -0.0258 Soluble
7 S C 0.3057 Aggregation-prone
8 P C 0.8979 Aggregation-prone
9 V C 1.9365 Aggregation-prone
10 I C 1.4221 Aggregation-prone
11 L C 0.6113 Aggregation-prone
12 S C -0.2464 Soluble
13 V C -1.1259 Soluble
14 S C -1.9409 Soluble
15 P C -2.2150 Soluble
16 G C -2.2392 Soluble
17 E C -2.9751 Soluble
18 R C -3.0165 Soluble
19 V C 0.0000 Buried
20 S C -0.8750 Soluble
21 F C 0.0000 Buried
23 C C 0.0000 Buried
24 R C -1.9651 Soluble
25 A C -1.0779 Soluble
26 S C -0.9002 Soluble
27 Q C -1.5329 Soluble
28 S C -1.5047 Soluble
29 I C 0.0000 Buried
36 G C -1.0966 Soluble
37 T C -0.8453 Soluble
38 N C -0.8033 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 -1.3506 Soluble
45 R C -1.7735 Soluble
46 T C -1.5446 Soluble
47 N C -1.7997 Soluble
48 G C -1.5430 Soluble
49 S C -1.0405 Soluble
50 P C 0.0000 Buried
51 R C -0.9276 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7589 Soluble
56 Y C -0.5756 Soluble
57 A C 0.0000 Buried
65 S C -1.1475 Soluble
66 E C -1.7403 Soluble
67 S C -1.0798 Soluble
68 I C -0.4833 Soluble
69 S C -0.3509 Soluble
70 G C -0.4861 Soluble
71 I C -0.3244 Soluble
72 P C -0.3929 Soluble
74 S C -0.6054 Soluble
75 R C -1.1747 Soluble
76 F C 0.0000 Buried
77 S C -0.8726 Soluble
78 G C -0.7079 Soluble
79 S C -0.8824 Soluble
80 G C -1.1251 Soluble
83 S C -1.0548 Soluble
84 G C -1.3426 Soluble
85 T C -1.8783 Soluble
86 D C -2.6523 Soluble
87 F C 0.0000 Buried
88 T C -0.8667 Soluble
89 L C 0.0000 Buried
90 S C -0.8953 Soluble
91 I C 0.0000 Buried
92 N C -2.2578 Soluble
93 S C -2.3298 Soluble
94 V C 0.0000 Buried
95 E C -2.6443 Soluble
96 S C -2.1749 Soluble
98 D C -1.3100 Soluble
99 I C 0.0000 Buried
100 A C 0.0000 Buried
101 D C -0.8435 Soluble
102 Y C 0.0000 Buried
103 Y C -0.1824 Soluble
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 N C -0.5521 Soluble
108 N C -1.0989 Soluble
109 N C -0.8451 Soluble
114 W C 0.2830 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C 0.0249 Aggregation-prone
118 F C 0.2290 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0807 Aggregation-prone
121 G C 0.1673 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.1121 Soluble
124 L C 0.0000 Buried
125 E C -1.0609 Soluble
126 L C 0.0000 Buried
127 K C -2.0210 Soluble
128 R C -1.3119 Soluble
129 T C -0.1239 Soluble
130 V C 0.4158 Aggregation-prone
131 A C 0.2052 Aggregation-prone
132 A C -0.0672 Soluble
133 P C 0.0000 Buried
134 S C -0.1587 Soluble
135 V C 0.0000 Buried
136 F C 0.1379 Aggregation-prone
137 I C 0.0666 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5079 Soluble
140 P C -0.8085 Soluble
141 S C 0.0000 Buried
142 D C -3.1205 Soluble
143 E C -3.0369 Soluble
144 Q C 0.0000 Buried
145 L C -2.2513 Soluble
146 K C -2.7632 Soluble
147 S C -1.7054 Soluble
148 G C -1.3294 Soluble
149 T C -0.8093 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 -0.9577 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.8049 Soluble
162 R C -2.8421 Soluble
163 E C -3.2732 Soluble
164 A C -2.3633 Soluble
165 K C -2.5026 Soluble
166 V C -1.2564 Soluble
167 Q C -0.8620 Soluble
168 W C 0.0000 Buried
169 K C -0.8026 Soluble
170 V C 0.0000 Buried
171 D C -2.0358 Soluble
172 N C -1.6689 Soluble
173 A C -0.4634 Soluble
174 L C 0.2447 Aggregation-prone
175 Q C -0.3131 Soluble
176 S C -0.4924 Soluble
177 G C -0.8807 Soluble
178 N C -0.7881 Soluble
179 S C -1.1670 Soluble
180 Q C -1.4449 Soluble
181 E C -2.1537 Soluble
182 S C -0.9637 Soluble
183 V C -0.7373 Soluble
184 T C -0.7667 Soluble
185 E C -1.4069 Soluble
186 Q C 0.0000 Buried
187 D C -1.6397 Soluble
188 S C -1.8850 Soluble
189 K C -2.4969 Soluble
190 D C -1.8353 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 -0.6514 Soluble
199 L C 0.0000 Buried
200 T C -0.4082 Soluble
201 L C -0.6132 Soluble
202 S C -1.1353 Soluble
203 K C -1.9079 Soluble
204 A C -1.7944 Soluble
205 D C -2.4352 Soluble
206 Y C 0.0000 Buried
207 E C -3.4449 Soluble
208 K C -3.6061 Soluble
209 H C -3.1397 Soluble
210 K C -3.1041 Soluble
211 V C -1.4112 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -1.0159 Soluble
216 V C 0.0000 Buried
217 T C -1.2790 Soluble
218 H C 0.0000 Buried
219 Q C -1.7616 Soluble
220 G C -0.3728 Soluble
221 L C -0.2313 Soluble
222 S C -0.4659 Soluble
223 S C -0.4316 Soluble
224 P C -0.5873 Soluble
225 V C -0.0964 Soluble
226 T C -0.5338 Soluble
227 K C -0.6751 Soluble
228 S C -0.5721 Soluble
229 F C -0.6632 Soluble
230 N C -1.5814 Soluble
231 R C -2.1406 Soluble
232 G C -1.3698 Soluble
233 A C -0.7369 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
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 -0.6667 2.9639 CSV PDB
4.5 -0.7008 2.9042 CSV PDB
5.0 -0.742 2.8299 CSV PDB
5.5 -0.7821 2.7492 CSV PDB
6.0 -0.8111 2.6663 CSV PDB
6.5 -0.8206 2.5826 CSV PDB
7.0 -0.8103 2.499 CSV PDB
7.5 -0.7867 2.4159 CSV PDB
8.0 -0.7561 2.3348 CSV PDB
8.5 -0.7206 2.2593 CSV PDB
9.0 -0.6804 2.2384 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH