Pateclizumab / 4mxv

A4DAB204_4mxv_Y_X | Source PDB: 4mxv | Chains: Y, X | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6666
Max Score
1.3899
Min Score
-3.8028
Total Score
-282.62
Score CDR
-0.0579
Score non-CDR
-0.7388

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) Y (Heavy), X (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 -3.8028
Maximum Score 1.3899
Average Score -0.6666
Total Score -282.6224

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

Index Residue Chain A4D Score Classification
1 E Y -2.1308 Soluble
2 V Y -1.2777 Soluble
3 Q Y -1.4103 Soluble
4 L Y 0.0000 Buried
5 V Y 0.2143 Aggregation-prone
6 E Y 0.0000 Buried
7 S Y -0.5083 Soluble
8 G Y -0.7267 Soluble
9 G Y -0.1280 Soluble
11 G Y 0.1785 Aggregation-prone
12 L Y 0.5837 Aggregation-prone
13 V Y -0.4547 Soluble
14 Q Y -1.5356 Soluble
15 P Y -1.6784 Soluble
16 G Y -1.3848 Soluble
17 G Y -1.0285 Soluble
18 S Y -1.2495 Soluble
19 L Y -0.9203 Soluble
20 R Y -2.0013 Soluble
21 L Y 0.0000 Buried
22 S Y -0.4820 Soluble
23 C Y 0.0000 Buried
24 A Y -0.4638 Soluble
25 A Y 0.0000 Buried
26 S Y -1.0971 Soluble
27 G Y -1.2709 Soluble
28 Y Y -0.5760 Soluble
29 T Y -0.1656 Soluble
30 F Y 0.0000 Buried
35 T Y -0.1559 Soluble
36 S Y 0.2336 Aggregation-prone
37 Y Y 0.6812 Aggregation-prone
38 V Y 0.0000 Buried
39 I Y 0.0000 Buried
40 H Y 0.0000 Buried
41 W Y 0.0000 Buried
42 V Y 0.0000 Buried
43 R Y 0.0000 Buried
44 Q Y -0.5926 Soluble
45 A Y -1.0281 Soluble
46 P Y -0.8836 Soluble
47 G Y -1.4994 Soluble
48 K Y -2.3407 Soluble
49 G Y -1.5546 Soluble
50 L Y 0.0000 Buried
51 E Y -0.6450 Soluble
52 W Y 0.0000 Buried
53 V Y 0.0000 Buried
54 G Y 0.0000 Buried
55 Y Y 0.0333 Aggregation-prone
56 N Y 0.0000 Buried
57 N Y -0.3141 Soluble
58 P Y 0.0000 Buried
59 Y Y 0.3151 Aggregation-prone
62 N Y -0.7759 Soluble
63 A Y -0.6497 Soluble
64 G Y -0.6126 Soluble
65 T Y -0.5375 Soluble
66 N Y -0.8936 Soluble
67 Y Y -1.3298 Soluble
68 N Y 0.0000 Buried
69 E Y -3.2552 Soluble
70 K Y -3.1848 Soluble
71 F Y 0.0000 Buried
72 K Y -3.1332 Soluble
74 G Y -2.0308 Soluble
75 R Y -1.6641 Soluble
76 F Y 0.0000 Buried
77 T Y -0.9818 Soluble
78 I Y 0.0000 Buried
79 S Y -0.4859 Soluble
80 S Y -1.1183 Soluble
81 D Y -1.8387 Soluble
82 K Y -2.2251 Soluble
83 S Y -2.0420 Soluble
84 K Y -2.7315 Soluble
85 N Y -2.2349 Soluble
86 T Y 0.0000 Buried
87 A Y 0.0000 Buried
88 Y Y -0.6006 Soluble
89 L Y 0.0000 Buried
90 Q Y -1.3919 Soluble
91 M Y 0.0000 Buried
92 N Y -1.3502 Soluble
93 S Y -1.2208 Soluble
94 L Y 0.0000 Buried
95 R Y -2.5369 Soluble
96 A Y -1.8250 Soluble
97 E Y -2.2965 Soluble
98 D Y 0.0000 Buried
99 T Y -0.5343 Soluble
100 A Y 0.0000 Buried
101 V Y 0.5001 Aggregation-prone
102 Y Y 0.0000 Buried
103 Y Y 0.0000 Buried
104 C Y 0.0000 Buried
105 S Y 0.0000 Buried
106 R Y 0.0000 Buried
107 P Y 0.0000 Buried
108 T Y 0.7808 Aggregation-prone
109 M Y 1.3899 Aggregation-prone
110 L Y 1.1571 Aggregation-prone
113 P Y 0.7942 Aggregation-prone
114 W Y 0.6784 Aggregation-prone
115 F Y 0.0000 Buried
116 A Y 0.1290 Aggregation-prone
117 Y Y -0.0086 Soluble
118 W Y -0.5066 Soluble
119 G Y 0.0000 Buried
120 Q Y -1.4083 Soluble
121 G Y -0.5731 Soluble
122 T Y 0.1929 Aggregation-prone
123 L Y 0.9496 Aggregation-prone
124 V Y 0.0000 Buried
125 T Y -0.0995 Soluble
126 V Y 0.0000 Buried
127 S Y -0.9173 Soluble
128 S Y -0.8536 Soluble
129 A Y -0.5067 Soluble
130 S Y -0.5723 Soluble
131 T Y -0.7638 Soluble
132 K Y -1.2548 Soluble
133 G Y -1.4438 Soluble
134 P Y 0.0000 Buried
135 S Y -0.3039 Soluble
136 V Y 0.0000 Buried
137 F Y 0.0000 Buried
138 P Y -1.1064 Soluble
139 L Y 0.0000 Buried
140 A Y -1.0957 Soluble
141 P Y 0.0000 Buried
142 S Y -0.4181 Soluble
143 G Y -0.6328 Soluble
144 T Y -0.4714 Soluble
145 A Y 0.0000 Buried
146 A Y 0.0000 Buried
147 L Y 0.0000 Buried
148 G Y 0.0000 Buried
149 C Y 0.0000 Buried
150 L Y 0.0000 Buried
151 V Y 0.0000 Buried
152 K Y 0.0000 Buried
153 D Y -0.5240 Soluble
154 Y Y 0.0000 Buried
155 F Y 0.0000 Buried
156 P Y -0.6608 Soluble
157 E Y -0.9184 Soluble
158 P Y -0.9684 Soluble
159 V Y -0.7549 Soluble
160 T Y -0.5958 Soluble
161 V Y -0.2728 Soluble
162 S Y -0.2805 Soluble
163 W Y 0.0000 Buried
164 N Y -0.6014 Soluble
165 S Y -0.5594 Soluble
166 G Y -0.5193 Soluble
167 A Y -0.2373 Soluble
168 L Y -0.0077 Soluble
169 T Y -0.1951 Soluble
170 S Y -0.2151 Soluble
171 G Y -0.3007 Soluble
172 V Y 0.1338 Aggregation-prone
173 H Y -0.3161 Soluble
174 T Y 0.0361 Aggregation-prone
175 F Y 0.0000 Buried
176 P Y -0.3239 Soluble
177 A Y 0.0753 Aggregation-prone
178 V Y 0.4287 Aggregation-prone
179 L Y 1.2375 Aggregation-prone
180 Q Y 0.3353 Aggregation-prone
181 S Y -0.0288 Soluble
182 S Y -0.1882 Soluble
183 G Y -0.0015 Soluble
184 L Y 0.0386 Aggregation-prone
185 Y Y 0.3403 Aggregation-prone
186 S Y 0.0000 Buried
187 L Y 0.0000 Buried
188 S Y 0.0000 Buried
189 S Y 0.0000 Buried
190 V Y 0.0000 Buried
191 V Y 0.0000 Buried
192 T Y -0.1413 Soluble
193 V Y 0.0000 Buried
194 P Y -0.4722 Soluble
195 S Y -0.4881 Soluble
196 S Y -0.5323 Soluble
197 S Y -0.4677 Soluble
198 L Y -0.6388 Soluble
199 G Y -0.9245 Soluble
200 T Y -0.5847 Soluble
201 Q Y -0.9239 Soluble
202 T Y -0.9175 Soluble
203 Y Y 0.0000 Buried
204 I Y -0.8598 Soluble
205 C Y 0.0000 Buried
206 N Y -1.2711 Soluble
207 V Y 0.0000 Buried
208 N Y -1.7879 Soluble
209 H Y 0.0000 Buried
210 K Y -2.7709 Soluble
211 P Y -1.7146 Soluble
212 S Y -1.8941 Soluble
213 N Y -2.5341 Soluble
214 T Y -2.0919 Soluble
215 K Y -2.6376 Soluble
216 V Y -1.7797 Soluble
217 D Y -2.1775 Soluble
218 K Y -1.8367 Soluble
219 K Y -2.0859 Soluble
220 V Y 0.0000 Buried
221 E Y -2.6836 Soluble
222 P Y -1.8929 Soluble
223 K Y -2.2164 Soluble
1 D X -2.2403 Soluble
2 I X 0.0000 Buried
3 Q X -2.2800 Soluble
4 M X 0.0000 Buried
5 T X -1.5000 Soluble
6 Q X 0.0000 Buried
7 S X -0.8317 Soluble
8 P X -0.4515 Soluble
9 S X -0.7298 Soluble
10 S X -0.5233 Soluble
11 L X -0.2951 Soluble
12 S X -0.5942 Soluble
13 A X 0.0000 Buried
14 S X -0.5317 Soluble
15 V X 0.1730 Aggregation-prone
16 G X -0.8067 Soluble
17 D X -1.5802 Soluble
18 R X -2.2618 Soluble
19 V X 0.0000 Buried
20 T X -0.6200 Soluble
21 I X 0.0000 Buried
22 T X -0.9664 Soluble
23 C X 0.0000 Buried
24 R X -2.8588 Soluble
25 A X 0.0000 Buried
26 S X -1.8535 Soluble
27 Q X -1.4926 Soluble
28 A X -0.8043 Soluble
29 V X 0.0000 Buried
36 S X -0.2058 Soluble
37 S X -0.3229 Soluble
38 A X 0.3197 Aggregation-prone
39 V X 0.0000 Buried
40 A X 0.0000 Buried
41 W X 0.0000 Buried
42 Y X 0.0000 Buried
43 Q X 0.0000 Buried
44 Q X -1.3419 Soluble
45 K X -1.7010 Soluble
46 P X -1.3342 Soluble
47 G X -1.6779 Soluble
48 K X -2.6338 Soluble
49 A X -1.6912 Soluble
50 P X 0.0000 Buried
51 K X -1.8135 Soluble
52 L X 0.0000 Buried
53 L X 0.0000 Buried
54 I X 0.0000 Buried
55 Y X -0.2131 Soluble
56 S X -0.3565 Soluble
57 A X 0.0000 Buried
65 S X -1.0178 Soluble
66 H X -1.4313 Soluble
67 R X -1.3470 Soluble
68 Y X -0.7022 Soluble
69 T X -0.5135 Soluble
70 G X -0.6235 Soluble
71 V X 0.0000 Buried
72 P X -0.5633 Soluble
74 S X -0.6594 Soluble
75 R X -0.8213 Soluble
76 F X 0.0000 Buried
77 S X -0.7494 Soluble
78 G X -0.6572 Soluble
79 S X -0.8204 Soluble
80 G X -1.2158 Soluble
83 S X -0.9599 Soluble
84 G X -1.1530 Soluble
85 T X -1.7738 Soluble
86 D X -2.4753 Soluble
87 F X 0.0000 Buried
88 T X -0.8701 Soluble
89 L X 0.0000 Buried
90 T X -0.5904 Soluble
91 I X 0.0000 Buried
92 S X -1.3743 Soluble
93 S X -1.1754 Soluble
94 L X 0.0000 Buried
95 Q X -0.9826 Soluble
96 P X -0.9192 Soluble
97 E X -1.8727 Soluble
98 D X 0.0000 Buried
99 F X -0.3106 Soluble
100 A X 0.0000 Buried
101 T X 0.0000 Buried
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 Q X 0.0000 Buried
106 E X 0.0000 Buried
107 S X 0.6591 Aggregation-prone
108 Y X 1.1174 Aggregation-prone
109 S X 0.2876 Aggregation-prone
114 T X -0.3788 Soluble
115 P X -0.8338 Soluble
116 W X 0.0000 Buried
117 T X -0.6695 Soluble
118 F X 0.0000 Buried
119 G X 0.0000 Buried
120 Q X -1.6607 Soluble
121 G X 0.0000 Buried
122 T X 0.0000 Buried
123 K X -1.0285 Soluble
124 V X 0.0000 Buried
125 E X 0.0000 Buried
126 I X -0.2586 Soluble
127 K X -1.3537 Soluble
128 R X -1.0441 Soluble
129 T X -0.0009 Soluble
130 V X 0.8937 Aggregation-prone
131 A X 0.2357 Aggregation-prone
132 A X -0.0577 Soluble
133 P X 0.0000 Buried
134 S X -0.1267 Soluble
135 V X 0.0000 Buried
136 F X 0.1320 Aggregation-prone
137 I X 0.1002 Aggregation-prone
138 F X 0.0000 Buried
139 P X -0.6666 Soluble
140 P X 0.0000 Buried
141 S X -1.6182 Soluble
142 D X -2.9509 Soluble
143 E X -3.0757 Soluble
144 Q X 0.0000 Buried
145 L X -2.1445 Soluble
146 K X -2.8212 Soluble
147 S X -1.7435 Soluble
148 G X -1.2351 Soluble
149 T X -0.8229 Soluble
150 A X 0.0000 Buried
151 S X 0.0000 Buried
152 V X 0.0000 Buried
153 V X 0.0000 Buried
154 C X 0.0000 Buried
155 L X 0.0000 Buried
156 L X 0.0000 Buried
157 N X 0.0000 Buried
158 N X -0.8396 Soluble
159 F X 0.0000 Buried
160 Y X 0.0000 Buried
161 P X -1.0706 Soluble
162 R X -1.8837 Soluble
163 E X -2.7111 Soluble
164 A X -2.0617 Soluble
165 K X -2.3524 Soluble
166 V X -1.1293 Soluble
167 Q X -0.5496 Soluble
168 W X 0.0000 Buried
169 K X -0.4683 Soluble
170 V X 0.0000 Buried
171 D X -1.7567 Soluble
172 N X -1.2437 Soluble
173 A X -0.2176 Soluble
174 L X 0.6344 Aggregation-prone
175 Q X -0.3821 Soluble
176 S X -0.6971 Soluble
177 G X -1.3802 Soluble
178 N X -1.7645 Soluble
179 S X -1.6099 Soluble
180 Q X -1.5844 Soluble
181 E X -1.9576 Soluble
182 S X -0.8276 Soluble
183 V X -0.5710 Soluble
184 T X -1.0042 Soluble
185 E X -2.0517 Soluble
186 Q X -1.6202 Soluble
187 D X -1.9063 Soluble
188 S X -1.6485 Soluble
189 K X -2.1374 Soluble
190 D X -1.4931 Soluble
191 S X -1.6444 Soluble
192 T X 0.0000 Buried
193 Y X 0.0000 Buried
194 S X 0.0000 Buried
195 L X 0.0000 Buried
196 S X 0.0000 Buried
197 S X 0.0000 Buried
198 T X -0.8245 Soluble
199 L X 0.0000 Buried
200 T X -0.5525 Soluble
201 L X -0.5361 Soluble
202 S X -0.9243 Soluble
203 K X -1.9465 Soluble
204 A X -1.7267 Soluble
205 D X -2.3103 Soluble
206 Y X 0.0000 Buried
207 E X -3.8028 Soluble
208 K X -3.5825 Soluble
209 H X -3.2426 Soluble
210 K X -3.3507 Soluble
211 V X -1.6578 Soluble
212 Y X 0.0000 Buried
213 A X 0.0000 Buried
214 C X 0.0000 Buried
215 E X -0.7975 Soluble
216 V X 0.0000 Buried
217 T X -1.2580 Soluble
218 H X 0.0000 Buried
219 Q X -1.6084 Soluble
220 G X -0.3389 Soluble
221 L X -0.2582 Soluble
222 S X -0.5002 Soluble
223 S X -0.4442 Soluble
224 P X -0.5658 Soluble
225 V X -0.0612 Soluble
226 T X -0.5525 Soluble
227 K X -0.8065 Soluble
228 S X -0.6554 Soluble
229 F X -1.0845 Soluble
230 N X -2.4176 Soluble
231 R X -2.9387 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 -0.7329 1.9324 CSV PDB
4.5 -0.7694 1.9324 CSV PDB
5.0 -0.8123 1.9324 CSV PDB
5.5 -0.8518 1.9324 CSV PDB
6.0 -0.8759 1.9324 CSV PDB
6.5 -0.8747 1.9324 CSV PDB
7.0 -0.8488 1.9324 CSV PDB
7.5 -0.8076 1.9324 CSV PDB
8.0 -0.759 1.9324 CSV PDB
8.5 -0.7056 1.9323 CSV PDB
9.0 -0.6479 1.9321 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH