Arcitumomab / 1clo

A4DAB024_1clo_H_L | Source PDB: 1clo | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6774
Max Score
1.2502
Min Score
-3.4786
Total Score
-294.69
Score CDR
-0.4444
Score non-CDR
-0.7057

Calculation Parameters

Chain Sequence(s) EVKLVESGGGLVQPGGSLRLSCATSGFTFTDYYMNWVRQPPGKALEWLGFIGNKANGYTTEYSASVKGRFTISRDKSQSILYLQMNTLRAEDSATYYCTRDRGLRFYFDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDQTVLSQSPAILSASPGEKVTMTCRASSSVTYIHWYQQKPGSSPKSWIYATSNLASGVPARFSGSGSGTSYSLTISRVEAEDAATYYCQHWSSKPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input.pdb
Selected Chain(s) H (Heavy), L (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 -3.4786
Maximum Score 1.2502
Average Score -0.6774
Total Score -294.6853

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

Index Residue Chain A4D Score Classification
1 E H -2.2072 Soluble
2 V H -1.3743 Soluble
3 K H -1.7396 Soluble
4 L H 0.0000 Buried
5 V H 0.0946 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6241 Soluble
8 G H -0.8802 Soluble
9 G H -0.6924 Soluble
11 G H -0.2916 Soluble
12 L H -0.4055 Soluble
13 V H 0.0000 Buried
14 Q H -1.7947 Soluble
15 P H -1.6326 Soluble
16 G H -1.2498 Soluble
17 G H -0.9729 Soluble
18 S H -1.2179 Soluble
19 L H -1.1200 Soluble
20 R H -2.1615 Soluble
21 L H 0.0000 Buried
22 S H -0.5570 Soluble
23 C H 0.0000 Buried
24 A H -0.1703 Soluble
25 T H 0.0000 Buried
26 S H -0.9474 Soluble
27 G H -1.3042 Soluble
28 F H -0.5837 Soluble
29 T H -0.3325 Soluble
30 F H 0.0000 Buried
35 T H -0.8648 Soluble
36 D H -1.5875 Soluble
37 Y H -0.6809 Soluble
38 Y H 0.0000 Buried
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.8393 Soluble
45 P H -1.2812 Soluble
46 P H -1.2670 Soluble
47 G H -1.5089 Soluble
48 K H -2.1745 Soluble
49 A H -1.2190 Soluble
50 L H 0.0000 Buried
51 E H -0.5820 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 G H 0.0000 Buried
55 F H 0.0000 Buried
56 I H 0.0000 Buried
57 G H 0.0000 Buried
58 N H -1.2166 Soluble
59 K H -2.0814 Soluble
60 A H -1.4040 Soluble
61 N H -1.4827 Soluble
62 G H -1.1600 Soluble
63 Y H -0.4873 Soluble
64 T H -0.3862 Soluble
65 T H -0.1037 Soluble
66 E H -0.7370 Soluble
67 Y H -0.9580 Soluble
68 S H 0.0000 Buried
69 A H -0.9579 Soluble
70 S H -0.8235 Soluble
71 V H 0.0000 Buried
72 K H -2.1000 Soluble
74 G H -1.5443 Soluble
75 R H -1.4004 Soluble
76 F H 0.0000 Buried
77 T H -1.0083 Soluble
78 I H 0.0000 Buried
79 S H -0.4641 Soluble
80 R H -0.9476 Soluble
81 D H -1.7319 Soluble
82 K H -2.3708 Soluble
83 S H -1.7742 Soluble
84 Q H -1.8724 Soluble
85 S H -1.0654 Soluble
86 I H -0.5838 Soluble
87 L H 0.0000 Buried
88 Y H -0.6392 Soluble
89 L H 0.0000 Buried
90 Q H -1.5399 Soluble
91 M H 0.0000 Buried
92 N H -1.2448 Soluble
93 T H -1.0245 Soluble
94 L H 0.0000 Buried
95 R H -2.1322 Soluble
96 A H -1.6664 Soluble
97 E H -2.2023 Soluble
98 D H 0.0000 Buried
99 S H -0.8675 Soluble
100 A H 0.0000 Buried
101 T H -0.3397 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 T H 0.0000 Buried
106 R H 0.0000 Buried
107 D H 0.0000 Buried
108 R H -1.2242 Soluble
109 G H -0.3633 Soluble
110 L H 0.5807 Aggregation-prone
112 R H -0.4802 Soluble
113 F H 0.2962 Aggregation-prone
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H -0.0680 Soluble
118 W H -0.1559 Soluble
119 G H 0.0000 Buried
120 Q H -1.2311 Soluble
121 G H -0.6749 Soluble
122 T H -0.4443 Soluble
123 T H -0.3549 Soluble
124 L H 0.0000 Buried
125 T H -0.6594 Soluble
126 V H 0.0000 Buried
127 S H -1.4792 Soluble
128 S H -1.2862 Soluble
129 A H -1.5408 Soluble
130 K H -2.1213 Soluble
131 T H -1.0811 Soluble
132 T H -0.6938 Soluble
133 P H -0.6552 Soluble
134 P H 0.0000 Buried
135 S H -0.3733 Soluble
136 V H 0.0000 Buried
137 Y H -0.7064 Soluble
138 P H -0.5109 Soluble
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H -0.3395 Soluble
142 G H -1.3620 Soluble
143 S H -1.2888 Soluble
144 A H -0.8421 Soluble
145 A H -0.8758 Soluble
146 Q H -1.4369 Soluble
147 T H -1.1756 Soluble
148 N H -1.4915 Soluble
149 S H -0.7092 Soluble
150 M H 0.3177 Aggregation-prone
151 V H 0.0761 Aggregation-prone
152 T H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.2449 Soluble
159 G H -0.3033 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3888 Soluble
164 P H -0.5053 Soluble
165 V H -0.3016 Soluble
166 T H -0.2589 Soluble
167 V H -0.2435 Soluble
168 T H -0.3653 Soluble
169 W H 0.0000 Buried
170 N H -0.8701 Soluble
171 S H -0.7040 Soluble
172 G H -0.4271 Soluble
173 S H -0.3987 Soluble
174 L H -0.0883 Soluble
175 S H -0.2942 Soluble
176 S H -0.2538 Soluble
177 G H -0.1927 Soluble
178 V H 0.1851 Aggregation-prone
179 H H -0.1227 Soluble
180 T H 0.0281 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1419 Soluble
183 A H 0.2392 Aggregation-prone
184 V H 0.7197 Aggregation-prone
185 L H 0.5844 Aggregation-prone
186 Q H -0.8563 Soluble
187 S H -1.1639 Soluble
188 D H -1.9432 Soluble
189 L H -0.5506 Soluble
190 Y H 0.1450 Aggregation-prone
191 T H 0.2154 Aggregation-prone
192 L H 0.0000 Buried
193 S H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 T H 0.2050 Aggregation-prone
198 V H 0.0000 Buried
199 P H 0.0101 Aggregation-prone
200 S H -0.5256 Soluble
201 S H -0.6766 Soluble
202 P H -1.1445 Soluble
203 R H -0.9245 Soluble
204 P H -0.9211 Soluble
205 S H -1.4000 Soluble
206 E H -2.1577 Soluble
207 T H -1.1578 Soluble
208 V H 0.0000 Buried
209 T H -1.3171 Soluble
210 C H 0.0000 Buried
211 N H -1.5028 Soluble
212 V H 0.0000 Buried
213 A H -0.9790 Soluble
214 H H 0.0000 Buried
215 P H -0.7468 Soluble
216 A H -0.2833 Soluble
217 S H -0.5101 Soluble
218 S H -0.7405 Soluble
219 T H -0.9521 Soluble
220 K H -1.9843 Soluble
221 V H -1.5603 Soluble
222 D H -2.5767 Soluble
223 K H -1.6236 Soluble
224 K H -1.5426 Soluble
225 I H 0.0000 Buried
226 V H 1.0488 Aggregation-prone
227 P H -0.2203 Soluble
228 R H -1.0026 Soluble
229 D H -2.4270 Soluble
1 Q L -1.2127 Soluble
2 T L -0.3627 Soluble
3 V L 0.8407 Aggregation-prone
4 L L 0.0000 Buried
5 S L -0.5754 Soluble
6 Q L 0.0000 Buried
7 S L -0.3610 Soluble
8 P L 0.2287 Aggregation-prone
9 A L 0.4460 Aggregation-prone
10 I L 1.2502 Aggregation-prone
11 L L 0.4744 Aggregation-prone
12 S L -0.4404 Soluble
13 A L 0.0000 Buried
14 S L -1.9305 Soluble
15 P L -2.3398 Soluble
16 G L -2.4331 Soluble
17 E L -2.9185 Soluble
18 K L -3.1158 Soluble
19 V L -1.3352 Soluble
20 T L -0.3827 Soluble
21 M L 0.0000 Buried
22 T L -0.6224 Soluble
23 C L 0.0000 Buried
24 R L -1.6199 Soluble
25 A L 0.0000 Buried
26 S L -0.4347 Soluble
27 S L -0.5482 Soluble
28 S L -0.5920 Soluble
29 V L 0.0000 Buried
37 T L 0.1864 Aggregation-prone
38 Y L 0.8321 Aggregation-prone
39 I L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.2689 Soluble
46 P L -1.0804 Soluble
47 G L -1.0923 Soluble
48 S L -0.9802 Soluble
49 S L -0.8166 Soluble
50 P L 0.0000 Buried
51 K L -0.5722 Soluble
52 S L -0.0564 Soluble
53 W L -0.0522 Soluble
54 I L 0.0000 Buried
55 Y L 0.3970 Aggregation-prone
56 A L 0.3659 Aggregation-prone
57 T L -0.0112 Soluble
65 S L -0.3608 Soluble
66 N L -0.4244 Soluble
67 L L 0.1515 Aggregation-prone
68 A L -0.0611 Soluble
69 S L -0.3077 Soluble
70 G L -0.3807 Soluble
71 V L -0.1447 Soluble
72 P L -0.1036 Soluble
74 A L -0.2662 Soluble
75 R L -1.1154 Soluble
76 F L 0.0000 Buried
77 S L -0.3667 Soluble
78 G L -0.3965 Soluble
79 S L -0.5338 Soluble
80 G L -0.6519 Soluble
83 S L -0.5548 Soluble
84 G L -0.5887 Soluble
85 T L -0.8443 Soluble
86 S L -1.0400 Soluble
87 Y L 0.0000 Buried
88 S L -0.5685 Soluble
89 L L 0.0000 Buried
90 T L -0.7394 Soluble
91 I L 0.0000 Buried
92 S L -2.1682 Soluble
93 R L -3.4031 Soluble
94 V L 0.0000 Buried
95 E L -2.8624 Soluble
96 A L -2.2317 Soluble
97 E L -2.2532 Soluble
98 D L 0.0000 Buried
99 A L -1.5694 Soluble
100 A L 0.0000 Buried
101 T L -0.3017 Soluble
102 Y L 0.0000 Buried
103 Y L -0.1711 Soluble
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 H L 0.0000 Buried
107 W L 0.0000 Buried
108 S L -0.7961 Soluble
109 S L -1.3839 Soluble
114 K L -1.9500 Soluble
115 P L -1.4309 Soluble
116 P L 0.0000 Buried
117 T L -0.2660 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.7778 Soluble
121 G L -0.2365 Soluble
122 T L 0.0000 Buried
123 K L -0.2423 Soluble
124 L L 0.0000 Buried
125 E L -0.7048 Soluble
126 I L 0.0000 Buried
127 K L -1.8657 Soluble
128 R L -1.8226 Soluble
129 A L -1.3925 Soluble
130 D L -2.4991 Soluble
131 A L -1.2599 Soluble
132 A L -0.6774 Soluble
133 P L 0.0000 Buried
134 T L -0.1303 Soluble
135 V L 0.0000 Buried
136 S L 0.0355 Aggregation-prone
137 I L 0.1196 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3460 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 S L -0.7962 Soluble
143 E L -1.4979 Soluble
144 Q L 0.0000 Buried
145 L L -0.8310 Soluble
146 T L -0.7455 Soluble
147 S L -0.7693 Soluble
148 G L -1.1036 Soluble
149 G L -1.0316 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 F L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.8415 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -2.1767 Soluble
162 K L -2.4776 Soluble
163 D L -2.6355 Soluble
164 I L -1.5935 Soluble
165 N L -1.4702 Soluble
166 V L -0.3695 Soluble
167 K L -1.1105 Soluble
168 W L 0.0000 Buried
169 K L -1.9481 Soluble
170 I L 0.0000 Buried
171 D L -2.3086 Soluble
172 G L -1.7374 Soluble
173 S L -1.8944 Soluble
174 E L -3.0085 Soluble
175 R L -2.6019 Soluble
176 Q L -2.5022 Soluble
177 N L -2.1126 Soluble
178 G L -0.9484 Soluble
179 V L -0.5364 Soluble
180 L L -0.0804 Soluble
181 N L -0.0371 Soluble
182 S L 0.1414 Aggregation-prone
183 W L -0.0594 Soluble
184 T L -0.8665 Soluble
185 D L -1.9920 Soluble
186 Q L -1.7934 Soluble
187 D L -2.0349 Soluble
188 S L -2.2716 Soluble
189 K L -2.6302 Soluble
190 D L -1.8761 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 M L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L 0.0937 Aggregation-prone
199 L L 0.0000 Buried
200 T L -0.2475 Soluble
201 L L -0.8476 Soluble
202 T L -1.3714 Soluble
203 K L -2.3165 Soluble
204 D L -3.2523 Soluble
205 E L -2.7605 Soluble
206 Y L 0.0000 Buried
207 E L -3.4786 Soluble
208 R L -3.3432 Soluble
209 H L -2.7609 Soluble
210 N L -2.6665 Soluble
211 S L -2.0597 Soluble
212 Y L 0.0000 Buried
213 T L -0.7156 Soluble
214 C L 0.0000 Buried
215 E L 0.0000 Buried
216 A L 0.0000 Buried
217 T L -0.6759 Soluble
218 H L 0.0000 Buried
219 K L -2.6173 Soluble
220 T L -1.3785 Soluble
221 S L -1.0040 Soluble
222 T L -0.6075 Soluble
223 S L -0.2423 Soluble
224 P L -0.0193 Soluble
225 I L 0.9319 Aggregation-prone
226 V L 1.2371 Aggregation-prone
227 K L -0.0047 Soluble
228 S L -0.5424 Soluble
229 F L -1.0544 Soluble
230 N L -2.3702 Soluble
231 R L -2.5981 Soluble
232 N L -2.9551 Soluble
233 E L -2.5878 Soluble
234 C L -0.9440 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 -0.6661 2.3872 CSV PDB
4.5 -0.7089 2.3471 CSV PDB
5.0 -0.7588 2.3055 CSV PDB
5.5 -0.8063 2.2645 CSV PDB
6.0 -0.8405 2.2247 CSV PDB
6.5 -0.8534 2.1849 CSV PDB
7.0 -0.8457 2.1443 CSV PDB
7.5 -0.8244 2.104 CSV PDB
8.0 -0.7955 2.1734 CSV PDB
8.5 -0.7605 2.2467 CSV PDB
9.0 -0.7188 2.3206 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH