Cetuximab / 4krp

A4DAB063_4krp_D_C | Source PDB: 4krp | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6736
Max Score
2.0884
Min Score
-3.6217
Total Score
-285.6
Score CDR
-0.3074
Score non-CDR
-0.7182

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.6217
Maximum Score 2.0884
Average Score -0.6736
Total Score -285.6049

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

Index Residue Chain A4D Score Classification
1 Q D -1.4171 Soluble
2 V D -0.9870 Soluble
3 Q D -1.5511 Soluble
4 L D 0.0000 Buried
5 K D -1.8816 Soluble
6 Q D 0.0000 Buried
7 S D -0.7397 Soluble
8 G D -0.3183 Soluble
9 P D -0.5520 Soluble
11 G D -0.2908 Soluble
12 L D -0.1357 Soluble
13 V D 0.0000 Buried
14 Q D -1.7706 Soluble
15 P D -1.6461 Soluble
16 S D -1.6979 Soluble
17 Q D -2.1406 Soluble
18 S D -1.9842 Soluble
19 L D 0.0000 Buried
20 S D -0.9380 Soluble
21 I D 0.0000 Buried
22 T D -0.5286 Soluble
23 C D 0.0000 Buried
24 T D -0.9935 Soluble
25 V D 0.0000 Buried
26 S D -0.9546 Soluble
27 G D -0.8969 Soluble
28 F D -0.4722 Soluble
29 S D -0.7883 Soluble
30 L D 0.0000 Buried
35 T D -1.1543 Soluble
36 N D -1.0276 Soluble
37 Y D 0.1006 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 -0.3246 Soluble
44 Q D -0.6066 Soluble
45 S D -1.0570 Soluble
46 P D -0.9200 Soluble
47 G D -1.4702 Soluble
48 K D -2.2594 Soluble
49 G D -1.2128 Soluble
50 L D 0.0000 Buried
51 E D -0.6023 Soluble
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 -0.6396 Soluble
58 S D -0.8099 Soluble
59 G D -1.1472 Soluble
63 G D -1.5911 Soluble
64 N D -1.8134 Soluble
65 T D -1.2102 Soluble
66 D D -0.8177 Soluble
67 Y D -0.3556 Soluble
68 N D -0.2084 Soluble
69 T D -0.3287 Soluble
70 P D -0.4096 Soluble
71 F D 0.0000 Buried
72 T D -0.4804 Soluble
74 S D -0.6805 Soluble
75 R D -1.3271 Soluble
76 L D 0.0000 Buried
77 S D -1.3223 Soluble
78 I D 0.0000 Buried
79 N D -1.8562 Soluble
80 K D -1.4551 Soluble
81 D D -1.9230 Soluble
82 N D -2.5191 Soluble
83 S D -1.8847 Soluble
84 K D -2.4366 Soluble
85 S D -1.7550 Soluble
86 Q D -1.5078 Soluble
87 V D 0.0000 Buried
88 F D -0.3111 Soluble
89 F D 0.0000 Buried
90 K D -2.1584 Soluble
91 M D 0.0000 Buried
92 N D -2.3768 Soluble
93 S D -1.8033 Soluble
94 L D 0.0000 Buried
95 Q D -2.1609 Soluble
96 S D -1.4860 Soluble
97 N D -1.8700 Soluble
98 D D 0.0000 Buried
99 T D -0.5252 Soluble
100 A D 0.0000 Buried
101 I D 0.3925 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 0.9493 Aggregation-prone
109 T D 1.1050 Aggregation-prone
110 Y D 1.7032 Aggregation-prone
111 Y D 1.8163 Aggregation-prone
112 D D 1.0057 Aggregation-prone
113 Y D 0.6226 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D -0.0126 Soluble
117 Y D -0.1080 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6821 Soluble
121 G D -0.8085 Soluble
122 T D 0.0000 Buried
123 L D 0.4645 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D -0.7987 Soluble
127 S D -0.5526 Soluble
128 A D -0.4879 Soluble
129 A D -0.3085 Soluble
130 S D -0.5241 Soluble
131 T D -0.7534 Soluble
132 K D -1.3345 Soluble
133 G D -1.4373 Soluble
134 P D -0.6704 Soluble
135 S D -0.4693 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.1948 Soluble
139 L D 0.0000 Buried
140 A D -0.8199 Soluble
141 P D -0.6419 Soluble
142 S D -0.9120 Soluble
143 S D -1.1608 Soluble
144 K D -1.8613 Soluble
145 T D -0.5011 Soluble
146 A D -0.4410 Soluble
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 -0.4160 Soluble
155 Y D 0.0000 Buried
156 F D 0.0000 Buried
157 P D 0.0000 Buried
158 E D -0.5233 Soluble
159 P D -0.5522 Soluble
160 V D -0.7321 Soluble
161 T D -0.7093 Soluble
162 V D -0.4646 Soluble
163 S D -0.4210 Soluble
164 W D 0.0000 Buried
165 N D -0.7173 Soluble
166 S D -0.6353 Soluble
167 G D -0.5785 Soluble
168 A D -0.2587 Soluble
169 L D -0.0516 Soluble
170 T D -0.1914 Soluble
171 S D -0.1955 Soluble
172 G D -0.2087 Soluble
173 V D 0.1303 Aggregation-prone
174 H D -0.2093 Soluble
175 T D -0.0849 Soluble
176 F D 0.0000 Buried
177 P D -0.1521 Soluble
178 A D 0.3469 Aggregation-prone
179 V D 0.7123 Aggregation-prone
180 L D 1.4255 Aggregation-prone
181 Q D 0.3978 Aggregation-prone
182 S D -0.0260 Soluble
183 S D -0.1962 Soluble
184 G D 0.0780 Aggregation-prone
185 L D 0.1734 Aggregation-prone
186 Y D 0.4937 Aggregation-prone
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D 0.0000 Buried
190 S D 0.0000 Buried
191 V D 0.0000 Buried
192 V D 0.0000 Buried
193 T D -0.1565 Soluble
194 V D 0.0000 Buried
195 P D -0.3286 Soluble
196 S D -0.6004 Soluble
197 S D -0.4325 Soluble
198 S D -0.4140 Soluble
199 L D -0.4221 Soluble
200 G D -0.7832 Soluble
201 T D -0.5972 Soluble
202 Q D -1.0620 Soluble
203 T D -1.1279 Soluble
204 Y D 0.0000 Buried
205 I D -1.3532 Soluble
206 C D 0.0000 Buried
207 N D -1.4616 Soluble
208 V D 0.0000 Buried
209 N D -2.2876 Soluble
210 H D 0.0000 Buried
211 K D -2.8758 Soluble
212 P D -1.7205 Soluble
213 S D -1.9273 Soluble
214 N D -2.6779 Soluble
215 T D -2.1878 Soluble
216 K D -2.7804 Soluble
217 V D -1.7801 Soluble
218 D D -2.2393 Soluble
219 K D -1.9471 Soluble
220 R D -2.6549 Soluble
221 V D 0.0000 Buried
222 E D -2.3484 Soluble
1 D C -1.5037 Soluble
2 I C 0.0000 Buried
3 L C 0.5729 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.2975 Soluble
6 Q C 0.0000 Buried
7 S C 0.1634 Aggregation-prone
8 P C 0.9293 Aggregation-prone
9 V C 2.0884 Aggregation-prone
10 I C 1.7685 Aggregation-prone
11 L C 0.8151 Aggregation-prone
12 S C -0.2865 Soluble
13 V C 0.0000 Buried
14 S C -1.8384 Soluble
15 P C -2.0923 Soluble
16 G C -2.1883 Soluble
17 E C -2.9975 Soluble
18 R C -3.1093 Soluble
19 V C 0.0000 Buried
20 S C -0.8239 Soluble
21 F C 0.0000 Buried
22 S C -0.8353 Soluble
23 C C 0.0000 Buried
24 R C -2.4426 Soluble
25 A C 0.0000 Buried
26 S C -1.1091 Soluble
27 Q C -1.8376 Soluble
28 S C -1.5043 Soluble
29 I C 0.0000 Buried
36 G C -0.9287 Soluble
37 T C -0.8918 Soluble
38 N C -0.7375 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 0.0000 Buried
45 R C -1.9435 Soluble
46 T C -1.4888 Soluble
47 N C -1.8563 Soluble
48 G C -1.5334 Soluble
49 S C -1.1880 Soluble
50 P C 0.0000 Buried
51 R C -1.7717 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7255 Soluble
56 Y C -0.5669 Soluble
57 A C 0.0000 Buried
65 S C -1.2486 Soluble
66 E C -2.0101 Soluble
67 S C -1.1587 Soluble
68 I C -0.4791 Soluble
69 S C -0.4802 Soluble
70 G C -0.4054 Soluble
71 I C -0.2593 Soluble
72 P C -0.2784 Soluble
74 S C -0.5488 Soluble
75 R C -1.0757 Soluble
76 F C 0.0000 Buried
77 S C -0.8204 Soluble
78 G C -0.7292 Soluble
79 S C -0.8438 Soluble
80 G C -1.0281 Soluble
83 S C -1.0897 Soluble
84 G C -1.2962 Soluble
85 T C -1.8254 Soluble
86 D C -2.3282 Soluble
87 F C 0.0000 Buried
88 T C -0.8724 Soluble
89 L C 0.0000 Buried
90 S C -0.9059 Soluble
91 I C 0.0000 Buried
92 N C -2.3036 Soluble
93 S C -2.2412 Soluble
94 V C 0.0000 Buried
95 E C -2.5008 Soluble
96 S C -2.3783 Soluble
97 E C -2.4294 Soluble
98 D C 0.0000 Buried
99 I C -1.3794 Soluble
100 A C 0.0000 Buried
101 D C -0.5844 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 -0.5592 Soluble
108 N C -1.1582 Soluble
109 N C -0.7123 Soluble
114 W C 0.3423 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C 0.0328 Aggregation-prone
118 F C 0.3051 Aggregation-prone
119 G C 0.0000 Buried
120 A C -0.2450 Soluble
121 G C 0.1714 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.3199 Soluble
124 L C 0.0000 Buried
125 E C -0.6881 Soluble
126 L C 0.0000 Buried
127 K C -1.4130 Soluble
128 R C -0.9542 Soluble
129 T C 0.2066 Aggregation-prone
130 V C 1.0586 Aggregation-prone
131 A C 0.3470 Aggregation-prone
132 A C 0.0424 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1233 Soluble
135 V C 0.0000 Buried
136 F C -0.1631 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.8199 Soluble
140 P C -1.0637 Soluble
141 S C -1.6949 Soluble
142 D C -3.0277 Soluble
143 E C -3.1316 Soluble
144 Q C 0.0000 Buried
145 L C -2.3445 Soluble
146 K C -2.9203 Soluble
147 S C -1.8219 Soluble
148 G C -1.3800 Soluble
149 T C -1.3081 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 -0.7232 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.2721 Soluble
162 R C -2.3055 Soluble
163 E C -2.9567 Soluble
164 A C -2.1886 Soluble
165 K C -2.3335 Soluble
166 V C -1.0308 Soluble
167 Q C -0.4206 Soluble
168 W C 0.0000 Buried
169 K C -0.4295 Soluble
170 V C 0.0000 Buried
171 D C -1.7764 Soluble
172 N C -1.3088 Soluble
173 A C -0.2363 Soluble
174 L C 0.8411 Aggregation-prone
175 Q C -0.0205 Soluble
176 S C -0.3556 Soluble
177 G C -0.8963 Soluble
178 N C -0.8156 Soluble
179 S C -1.0976 Soluble
180 Q C -1.3045 Soluble
181 E C -1.8443 Soluble
182 S C -0.7943 Soluble
183 V C -0.2880 Soluble
184 T C 0.0000 Buried
185 E C -1.6597 Soluble
186 Q C 0.0000 Buried
187 D C -1.8647 Soluble
188 S C -2.3296 Soluble
189 K C -2.7514 Soluble
190 D C -1.9901 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 -0.7209 Soluble
199 L C 0.0000 Buried
200 T C -0.4689 Soluble
201 L C -0.7504 Soluble
202 S C -1.3192 Soluble
203 K C -2.1264 Soluble
204 A C -1.9670 Soluble
205 D C -2.7081 Soluble
206 Y C 0.0000 Buried
207 E C -3.3940 Soluble
208 K C -3.6217 Soluble
209 H C -3.3425 Soluble
210 K C -3.5276 Soluble
211 V C -2.0335 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.8445 Soluble
216 V C 0.0000 Buried
217 T C -1.1945 Soluble
218 H C 0.0000 Buried
219 Q C -1.5509 Soluble
220 G C -0.2701 Soluble
221 L C -0.1654 Soluble
222 S C -0.4465 Soluble
223 S C -0.4081 Soluble
224 P C -0.5746 Soluble
225 V C -0.0408 Soluble
226 T C -0.4679 Soluble
227 K C -0.6967 Soluble
228 S C -0.8737 Soluble
229 F C -1.2678 Soluble
230 N C -2.6885 Soluble
231 R C -3.4335 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 -0.7346 2.5969 CSV PDB
4.5 -0.7709 2.5543 CSV PDB
5.0 -0.8133 2.501 CSV PDB
5.5 -0.8534 2.4432 CSV PDB
6.0 -0.881 2.3836 CSV PDB
6.5 -0.8879 2.3236 CSV PDB
7.0 -0.8737 2.2635 CSV PDB
7.5 -0.8454 2.2265 CSV PDB
8.0 -0.8091 2.2998 CSV PDB
8.5 -0.7672 2.3766 CSV PDB
9.0 -0.7204 2.456 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH