Pateclizumab / 4mxw

A4DAB204_4mxw_H_L | Source PDB: 4mxw | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.705
Max Score
1.5492
Min Score
-3.9461
Total Score
-298.2
Score CDR
-0.1115
Score non-CDR
-0.7756

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.9461
Maximum Score 1.5492
Average Score -0.705
Total Score -298.2013

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

Index Residue Chain A4D Score Classification
1 E H -2.1180 Soluble
2 V H -1.2275 Soluble
3 Q H -1.4194 Soluble
4 L H 0.0000 Buried
5 V H 0.1311 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3915 Soluble
8 G H -0.6400 Soluble
9 G H 0.0469 Aggregation-prone
11 G H 0.6046 Aggregation-prone
12 L H 0.8444 Aggregation-prone
13 V H -0.2881 Soluble
14 Q H -1.3573 Soluble
15 P H -1.3070 Soluble
16 G H -1.2268 Soluble
17 G H -0.9281 Soluble
18 S H -1.2166 Soluble
19 L H -1.0462 Soluble
20 R H -2.0314 Soluble
21 L H 0.0000 Buried
22 S H -0.5208 Soluble
23 C H 0.0000 Buried
24 A H -0.4817 Soluble
25 A H 0.0000 Buried
26 S H -1.1589 Soluble
27 G H -1.3586 Soluble
28 Y H -0.6163 Soluble
29 T H -0.3066 Soluble
30 F H 0.0000 Buried
35 T H -0.3140 Soluble
36 S H 0.1810 Aggregation-prone
37 Y H 0.8336 Aggregation-prone
38 V H 0.6673 Aggregation-prone
39 I H 0.0000 Buried
40 H 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 0.0000 Buried
45 A H -1.0093 Soluble
46 P H -0.8468 Soluble
47 G H -1.5161 Soluble
48 K H -2.3686 Soluble
49 G H -1.5845 Soluble
50 L H 0.0000 Buried
51 E H -0.6244 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H -0.0200 Soluble
56 N H 0.0000 Buried
57 N H -0.4449 Soluble
58 P H 0.0000 Buried
59 Y H 0.1997 Aggregation-prone
62 N H -0.8814 Soluble
63 A H -0.7994 Soluble
64 G H -0.8249 Soluble
65 T H -0.6400 Soluble
66 N H -1.0039 Soluble
67 Y H -1.5030 Soluble
68 N H -2.0342 Soluble
69 E H -3.5086 Soluble
70 K H -3.2102 Soluble
71 F H 0.0000 Buried
72 K H -3.3118 Soluble
74 G H -2.0557 Soluble
75 R H -1.9351 Soluble
76 F H 0.0000 Buried
77 T H -1.0486 Soluble
78 I H 0.0000 Buried
79 S H -0.5612 Soluble
80 S H -1.1402 Soluble
81 D H -1.9855 Soluble
82 K H -2.6668 Soluble
83 S H -2.2205 Soluble
84 K H -2.8906 Soluble
85 N H -2.3741 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5877 Soluble
89 L H 0.0000 Buried
90 Q H -1.4815 Soluble
91 M H 0.0000 Buried
92 N H -1.3254 Soluble
93 S H -1.0707 Soluble
94 L H 0.0000 Buried
95 R H -2.1645 Soluble
96 A H -1.5992 Soluble
97 E H -2.1513 Soluble
98 D H 0.0000 Buried
99 T H -0.4280 Soluble
100 A H 0.0000 Buried
101 V H 0.5549 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H 0.0000 Buried
107 P H 0.0000 Buried
108 T H 0.8051 Aggregation-prone
109 M H 1.3796 Aggregation-prone
110 L H 1.1280 Aggregation-prone
113 P H 0.7107 Aggregation-prone
114 W H 0.6605 Aggregation-prone
115 F H 0.0000 Buried
116 A H 0.2877 Aggregation-prone
117 Y H 0.2095 Aggregation-prone
118 W H -0.3273 Soluble
119 G H 0.0000 Buried
120 Q H -1.3888 Soluble
121 G H -0.3558 Soluble
122 T H 0.4340 Aggregation-prone
123 L H 1.5492 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.2999 Aggregation-prone
126 V H -0.4825 Soluble
127 S H -0.5431 Soluble
128 S H -0.6341 Soluble
129 A H -0.4576 Soluble
130 S H -0.5043 Soluble
131 T H -0.7985 Soluble
132 K H -1.3450 Soluble
133 G H -1.4388 Soluble
134 P H -0.6732 Soluble
135 S H -0.4329 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1882 Soluble
139 L H 0.0000 Buried
140 A H -0.9023 Soluble
141 P H -0.6703 Soluble
142 S H -0.4746 Soluble
143 G H -0.6033 Soluble
144 T H -0.4846 Soluble
145 A H 0.0000 Buried
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.5882 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.9217 Soluble
157 E H -1.2548 Soluble
158 P H -1.0447 Soluble
159 V H -0.7030 Soluble
160 T H -0.5743 Soluble
161 V H -0.2627 Soluble
162 S H -0.3841 Soluble
163 W H 0.0000 Buried
164 N H -0.8274 Soluble
165 S H -0.7091 Soluble
166 G H -0.5878 Soluble
167 A H -0.2278 Soluble
168 L H 0.0645 Aggregation-prone
169 T H -0.1570 Soluble
170 S H -0.1839 Soluble
171 G H -0.1718 Soluble
172 V H 0.1684 Aggregation-prone
173 H H 0.0000 Buried
174 T H 0.0902 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3510 Soluble
177 A H 0.2177 Aggregation-prone
178 V H 0.5521 Aggregation-prone
179 L H 1.4237 Aggregation-prone
180 Q H 0.1964 Aggregation-prone
181 S H -0.1075 Soluble
182 S H -0.1988 Soluble
183 G H 0.0422 Aggregation-prone
184 L H -0.0441 Soluble
185 Y H 0.0000 Buried
186 S H 0.0000 Buried
187 L H 0.1839 Aggregation-prone
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1266 Soluble
193 V H 0.0000 Buried
194 P H -0.5086 Soluble
195 S H -0.5619 Soluble
196 S H -0.4474 Soluble
197 S H -0.6013 Soluble
198 L H -0.7800 Soluble
199 G H -0.9780 Soluble
200 T H -0.7443 Soluble
201 Q H -1.0756 Soluble
202 T H -1.1359 Soluble
203 Y H 0.0000 Buried
204 I H -1.4935 Soluble
205 C H 0.0000 Buried
206 N H -1.4762 Soluble
207 V H 0.0000 Buried
208 N H -1.7065 Soluble
209 H H 0.0000 Buried
210 K H -2.7896 Soluble
211 P H -1.7330 Soluble
212 S H -1.8893 Soluble
213 N H -2.6017 Soluble
214 T H -1.9979 Soluble
215 K H -2.5638 Soluble
216 V H -1.5044 Soluble
217 D H -2.5542 Soluble
218 K H -2.3625 Soluble
219 K H -2.6228 Soluble
220 V H 0.0000 Buried
221 E H -2.3087 Soluble
222 P H -1.1486 Soluble
1 D L -2.2174 Soluble
2 I L 0.0000 Buried
3 Q L -2.0957 Soluble
4 M L 0.0000 Buried
5 T L -1.4904 Soluble
6 Q L 0.0000 Buried
7 S L -0.8000 Soluble
8 P L -0.5737 Soluble
9 S L -0.7770 Soluble
10 S L -0.7525 Soluble
11 L L -0.4660 Soluble
12 S L -0.8532 Soluble
13 A L 0.0000 Buried
14 S L -0.2716 Soluble
15 V L 0.5841 Aggregation-prone
16 G L -0.5889 Soluble
17 D L -1.5071 Soluble
18 R L -2.2500 Soluble
19 V L 0.0000 Buried
20 T L -0.6471 Soluble
21 I L 0.0000 Buried
22 T L -0.8686 Soluble
23 C L 0.0000 Buried
24 R L -2.8547 Soluble
25 A L 0.0000 Buried
26 S L -1.9033 Soluble
27 Q L -1.8290 Soluble
28 A L -0.8638 Soluble
29 V L 0.0000 Buried
36 S L -0.2625 Soluble
37 S L -0.3457 Soluble
38 A L 0.1750 Aggregation-prone
39 V L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -1.0508 Soluble
44 Q L 0.0000 Buried
45 K L -2.8978 Soluble
46 P L -2.0466 Soluble
47 G L -2.0388 Soluble
48 K L -2.8693 Soluble
49 A L -1.7956 Soluble
50 P L 0.0000 Buried
51 K L -1.5810 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3301 Soluble
56 S L -0.4626 Soluble
57 A L 0.0000 Buried
65 S L -1.0400 Soluble
66 H L -1.5267 Soluble
67 R L -1.4852 Soluble
68 Y L -0.7792 Soluble
69 T L -0.5389 Soluble
70 G L -0.6447 Soluble
71 V L 0.0000 Buried
72 P L -0.5252 Soluble
74 S L -0.6398 Soluble
75 R L -0.7683 Soluble
76 F L 0.0000 Buried
77 S L -0.7133 Soluble
78 G L -0.6919 Soluble
79 S L -0.7517 Soluble
80 G L -1.0874 Soluble
83 S L -0.7907 Soluble
84 G L -1.0286 Soluble
85 T L -1.6084 Soluble
86 D L -2.3961 Soluble
87 F L 0.0000 Buried
88 T L -0.7879 Soluble
89 L L 0.0000 Buried
90 T L -0.5950 Soluble
91 I L 0.0000 Buried
92 S L -1.3935 Soluble
93 S L -0.9879 Soluble
94 L L 0.0000 Buried
95 Q L -0.7961 Soluble
96 P L -0.7583 Soluble
97 E L -1.9660 Soluble
98 D L 0.0000 Buried
99 F L -0.9289 Soluble
100 A L -1.2970 Soluble
101 T L 0.0000 Buried
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 E L 0.0000 Buried
107 S L 0.0000 Buried
108 Y L 0.8214 Aggregation-prone
109 S L 0.0316 Aggregation-prone
114 T L -0.5200 Soluble
115 P L -0.9363 Soluble
116 W L 0.0000 Buried
117 T L -0.6618 Soluble
118 F L -0.4689 Soluble
119 G L 0.0000 Buried
120 Q L -1.7386 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.6468 Soluble
124 V L 0.0000 Buried
125 E L -0.9406 Soluble
126 I L -0.0952 Soluble
127 K L -1.2659 Soluble
128 R L -0.9468 Soluble
129 T L -0.0138 Soluble
130 V L 0.8175 Aggregation-prone
131 A L 0.3043 Aggregation-prone
132 A L -0.0248 Soluble
133 P L 0.0000 Buried
134 S L -0.1496 Soluble
135 V L 0.0000 Buried
136 F L -0.1383 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7880 Soluble
140 P L 0.0000 Buried
141 S L -1.4866 Soluble
142 D L -2.7640 Soluble
143 E L -2.6636 Soluble
144 Q L 0.0000 Buried
145 L L -2.2710 Soluble
146 K L -2.7670 Soluble
147 S L -1.7324 Soluble
148 G L -1.2812 Soluble
149 T L -0.8916 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 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.6358 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6869 Soluble
162 R L -3.0195 Soluble
163 E L -3.1829 Soluble
164 A L -2.3058 Soluble
165 K L -2.2903 Soluble
166 V L -1.0163 Soluble
167 Q L -0.5844 Soluble
168 W L 0.0000 Buried
169 K L -0.7612 Soluble
170 V L 0.0000 Buried
171 D L -2.1477 Soluble
172 N L -1.4925 Soluble
173 A L -0.3657 Soluble
174 L L 0.6860 Aggregation-prone
175 Q L -0.2921 Soluble
176 S L -0.7722 Soluble
177 G L -1.3764 Soluble
178 N L -1.8377 Soluble
179 S L -1.7044 Soluble
180 Q L -1.8543 Soluble
181 E L -2.0018 Soluble
182 S L -1.0065 Soluble
183 V L -0.8394 Soluble
184 T L 0.0000 Buried
185 E L -2.2414 Soluble
186 Q L -1.7834 Soluble
187 D L -1.6394 Soluble
188 S L -1.5965 Soluble
189 K L -2.0931 Soluble
190 D L -1.3847 Soluble
191 S L -1.4961 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L -0.6081 Soluble
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.8899 Soluble
199 L L 0.0000 Buried
200 T L -0.7285 Soluble
201 L L -0.6366 Soluble
202 S L -1.0586 Soluble
203 K L -2.1660 Soluble
204 A L -1.9366 Soluble
205 D L -2.3307 Soluble
206 Y L 0.0000 Buried
207 E L -3.9461 Soluble
208 K L -3.7608 Soluble
209 H L -3.5273 Soluble
210 K L -3.6925 Soluble
211 V L -2.0179 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9560 Soluble
216 V L 0.0000 Buried
217 T L -1.2790 Soluble
218 H L -1.4713 Soluble
219 Q L -1.2867 Soluble
220 G L -0.3531 Soluble
221 L L -0.2814 Soluble
222 S L -0.5107 Soluble
223 S L -0.5000 Soluble
224 P L -0.6537 Soluble
225 V L -0.1265 Soluble
226 T L -0.5619 Soluble
227 K L -0.8134 Soluble
228 S L -0.7341 Soluble
229 F L -1.2161 Soluble
230 N L -2.7007 Soluble
231 R L -3.4345 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
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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 -0.8143 2.2791 CSV PDB
4.5 -0.8517 2.2791 CSV PDB
5.0 -0.895 2.2791 CSV PDB
5.5 -0.9339 2.2791 CSV PDB
6.0 -0.9562 2.2791 CSV PDB
6.5 -0.9523 2.2791 CSV PDB
7.0 -0.9234 2.2791 CSV PDB
7.5 -0.8794 2.2791 CSV PDB
8.0 -0.8279 2.2791 CSV PDB
8.5 -0.7719 2.2791 CSV PDB
9.0 -0.7118 2.2791 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH