Pateclizumab / 4mxv

A4DAB204_4mxv_F_E | Source PDB: 4mxv | Chains: F, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7062
Max Score
1.3321
Min Score
-3.7319
Total Score
-299.43
Score CDR
-0.09
Score non-CDR
-0.7794

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) F (Heavy), E (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 -3.7319
Maximum Score 1.3321
Average Score -0.7062
Total Score -299.4318

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

Index Residue Chain A4D Score Classification
1 E F -2.1197 Soluble
2 V F -1.2688 Soluble
3 Q F -1.4636 Soluble
4 L F 0.0000 Buried
5 V F 0.1968 Aggregation-prone
6 E F 0.0000 Buried
7 S F -0.5268 Soluble
8 G F -0.7351 Soluble
9 G F -0.3657 Soluble
11 G F -0.4421 Soluble
12 L F -0.0756 Soluble
13 V F -0.6877 Soluble
14 Q F -1.6568 Soluble
15 P F -1.8916 Soluble
16 G F -1.5829 Soluble
17 G F -1.2128 Soluble
18 S F -1.2213 Soluble
19 L F -0.8081 Soluble
20 R F -1.3866 Soluble
21 L F 0.0000 Buried
22 S F -0.3504 Soluble
23 C F 0.0000 Buried
24 A F -0.4305 Soluble
25 A F -0.6389 Soluble
26 S F -0.9125 Soluble
27 G F -1.2215 Soluble
28 Y F -0.5386 Soluble
29 T F -0.1484 Soluble
30 F F 0.0000 Buried
35 T F -0.2623 Soluble
36 S F 0.2512 Aggregation-prone
37 Y F 0.7134 Aggregation-prone
38 V F 0.4529 Aggregation-prone
39 I F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F -0.4540 Soluble
44 Q F -0.7634 Soluble
45 A F -1.1527 Soluble
46 P F -0.9920 Soluble
47 G F -1.4988 Soluble
48 K F -2.4016 Soluble
49 G F -1.6583 Soluble
50 L F 0.0000 Buried
51 E F -0.6469 Soluble
52 W F 0.0000 Buried
53 V F 0.0000 Buried
54 G F 0.0000 Buried
55 Y F 0.0029 Aggregation-prone
56 N F 0.0000 Buried
57 N F -0.4106 Soluble
58 P F 0.0000 Buried
59 Y F 0.1996 Aggregation-prone
62 N F -0.8253 Soluble
63 A F -0.7465 Soluble
64 G F -0.7187 Soluble
65 T F -0.6071 Soluble
66 N F -1.0094 Soluble
67 Y F -1.3411 Soluble
68 N F 0.0000 Buried
69 E F -3.2377 Soluble
70 K F -3.1218 Soluble
71 F F 0.0000 Buried
72 K F -3.0889 Soluble
74 G F -2.0411 Soluble
75 R F -1.7430 Soluble
76 F F 0.0000 Buried
77 T F -0.9116 Soluble
78 I F 0.0000 Buried
79 S F -0.3196 Soluble
80 S F -1.1952 Soluble
81 D F -2.0544 Soluble
82 K F -2.6608 Soluble
83 S F -2.2375 Soluble
84 K F -2.8615 Soluble
85 N F -2.3266 Soluble
86 T F 0.0000 Buried
87 A F 0.0000 Buried
88 Y F -0.4178 Soluble
89 L F 0.0000 Buried
90 Q F -1.0389 Soluble
91 M F 0.0000 Buried
92 N F -1.4139 Soluble
93 S F -1.4310 Soluble
94 L F 0.0000 Buried
95 R F -2.8875 Soluble
96 A F -2.0031 Soluble
97 E F -2.4134 Soluble
98 D F 0.0000 Buried
99 T F -0.8453 Soluble
100 A F 0.0000 Buried
101 V F 0.0823 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 S F 0.0000 Buried
106 R F 0.0000 Buried
107 P F 0.0000 Buried
108 T F 0.7566 Aggregation-prone
109 M F 1.3321 Aggregation-prone
110 L F 1.1948 Aggregation-prone
113 P F 0.0000 Buried
114 W F 0.6727 Aggregation-prone
115 F F 0.0000 Buried
116 A F 0.2399 Aggregation-prone
117 Y F -0.0702 Soluble
118 W F -0.4422 Soluble
119 G F 0.0000 Buried
120 Q F -1.4973 Soluble
121 G F -0.7710 Soluble
122 T F -0.2217 Soluble
123 L F -0.0729 Soluble
124 V F 0.0000 Buried
125 T F -0.5096 Soluble
126 V F 0.0000 Buried
127 S F -0.8107 Soluble
128 S F -0.6734 Soluble
129 A F -0.4711 Soluble
130 S F -0.5344 Soluble
131 T F -0.6124 Soluble
132 K F -1.1524 Soluble
133 G F -1.3395 Soluble
134 P F -0.6254 Soluble
135 S F -0.3010 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.0965 Soluble
139 L F 0.0000 Buried
140 A F -1.1103 Soluble
141 P F 0.0000 Buried
142 S F -0.3923 Soluble
143 G F -0.6383 Soluble
144 T F -0.4953 Soluble
145 A F -0.2281 Soluble
146 A F 0.0000 Buried
147 L F 0.0000 Buried
148 G F 0.0000 Buried
149 C F 0.0000 Buried
150 L F 0.0000 Buried
151 V F 0.0000 Buried
152 K F 0.0000 Buried
153 D F -0.4401 Soluble
154 Y F 0.0000 Buried
155 F F 0.0000 Buried
156 P F 0.0000 Buried
157 E F -0.7834 Soluble
158 P F -0.9311 Soluble
159 V F -0.7617 Soluble
160 T F -0.6415 Soluble
161 V F -0.3518 Soluble
162 S F -0.4082 Soluble
163 W F 0.0000 Buried
164 N F -0.9113 Soluble
165 S F -0.7356 Soluble
166 G F -0.6297 Soluble
167 A F -0.3123 Soluble
168 L F -0.0844 Soluble
169 T F -0.2334 Soluble
170 S F -0.2247 Soluble
171 G F -0.2898 Soluble
172 V F 0.1287 Aggregation-prone
173 H F -0.3800 Soluble
174 T F -0.1972 Soluble
175 F F 0.0000 Buried
176 P F -0.3624 Soluble
177 A F 0.1530 Aggregation-prone
178 V F 0.5595 Aggregation-prone
179 L F 1.1263 Aggregation-prone
180 Q F 0.2394 Aggregation-prone
181 S F -0.1145 Soluble
182 S F -0.2426 Soluble
183 G F -0.0295 Soluble
184 L F 0.0485 Aggregation-prone
185 Y F 0.3808 Aggregation-prone
186 S F 0.0000 Buried
187 L F 0.0000 Buried
188 S F 0.0000 Buried
189 S F 0.0000 Buried
190 V F 0.0000 Buried
191 V F 0.0000 Buried
192 T F -0.1467 Soluble
193 V F 0.0000 Buried
194 P F -0.4797 Soluble
195 S F -0.5291 Soluble
196 S F -0.6113 Soluble
197 S F 0.0000 Buried
198 L F -0.8352 Soluble
199 G F -1.0196 Soluble
200 T F -0.7788 Soluble
201 Q F -1.1354 Soluble
202 T F -1.1337 Soluble
203 Y F 0.0000 Buried
204 I F -1.2010 Soluble
205 C F 0.0000 Buried
206 N F -1.5708 Soluble
207 V F 0.0000 Buried
208 N F -1.9631 Soluble
209 H F 0.0000 Buried
210 K F -2.8221 Soluble
211 P F -1.6289 Soluble
212 S F -1.8158 Soluble
213 N F -2.5668 Soluble
214 T F -2.1003 Soluble
215 K F -2.7550 Soluble
216 V F -1.9015 Soluble
217 D F -2.6348 Soluble
218 K F -2.0778 Soluble
219 K F -2.3846 Soluble
220 V F 0.0000 Buried
221 E F -2.6799 Soluble
222 P F -1.9138 Soluble
223 K F -2.2343 Soluble
1 D E -2.2673 Soluble
2 I E 0.0000 Buried
3 Q E -2.3182 Soluble
4 M E 0.0000 Buried
5 T E -1.4758 Soluble
6 Q E 0.0000 Buried
7 S E -0.9042 Soluble
8 P E -0.5612 Soluble
9 S E -0.9741 Soluble
10 S E -1.0974 Soluble
11 L E -0.7430 Soluble
12 S E -1.1222 Soluble
13 A E -1.0471 Soluble
14 S E -1.0121 Soluble
15 V E -0.3396 Soluble
16 G E -1.0579 Soluble
17 D E -2.0100 Soluble
18 R E -2.4269 Soluble
19 V E 0.0000 Buried
20 T E -0.6171 Soluble
21 I E 0.0000 Buried
22 T E -0.8492 Soluble
23 C E 0.0000 Buried
24 R E -2.7795 Soluble
25 A E 0.0000 Buried
26 S E -1.9767 Soluble
27 Q E -1.9595 Soluble
28 A E -0.9473 Soluble
29 V E 0.0000 Buried
36 S E -0.2596 Soluble
37 S E -0.3176 Soluble
38 A E 0.2857 Aggregation-prone
39 V E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E 0.0000 Buried
45 K E -1.7506 Soluble
46 P E -1.4513 Soluble
47 G E -1.6016 Soluble
48 K E -2.5167 Soluble
49 A E -1.5508 Soluble
50 P E 0.0000 Buried
51 K E -1.3557 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.2307 Soluble
56 S E -0.4018 Soluble
57 A E 0.0000 Buried
65 S E -1.0003 Soluble
66 H E -1.4069 Soluble
67 R E -1.2931 Soluble
68 Y E -0.5852 Soluble
69 T E -0.4769 Soluble
70 G E -0.6027 Soluble
71 V E 0.0000 Buried
72 P E -0.5405 Soluble
74 S E -0.6628 Soluble
75 R E -0.9050 Soluble
76 F E 0.0000 Buried
77 S E -0.7309 Soluble
78 G E 0.0000 Buried
79 S E -0.7638 Soluble
80 G E -1.0451 Soluble
83 S E -0.8301 Soluble
84 G E -1.0767 Soluble
85 T E -1.6495 Soluble
86 D E -2.1508 Soluble
87 F E 0.0000 Buried
88 T E -0.7462 Soluble
89 L E 0.0000 Buried
90 T E -0.5966 Soluble
91 I E 0.0000 Buried
92 S E -1.4789 Soluble
93 S E -1.3400 Soluble
94 L E 0.0000 Buried
95 Q E -1.1062 Soluble
96 P E -1.6378 Soluble
97 E E -1.9136 Soluble
98 D E 0.0000 Buried
99 F E 0.0000 Buried
100 A E 0.0000 Buried
101 T E -1.1621 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 E E 0.0000 Buried
107 S E 0.6616 Aggregation-prone
108 Y E 1.2007 Aggregation-prone
109 S E 0.2764 Aggregation-prone
114 T E -0.3686 Soluble
115 P E -0.8064 Soluble
116 W E 0.0000 Buried
117 T E -0.6753 Soluble
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.9510 Soluble
121 G E 0.0000 Buried
122 T E 0.0000 Buried
123 K E -2.1780 Soluble
124 V E 0.0000 Buried
125 E E -1.7011 Soluble
126 I E 0.0000 Buried
127 K E -1.2295 Soluble
128 R E -0.8313 Soluble
129 T E -0.1171 Soluble
130 V E 0.5155 Aggregation-prone
131 A E 0.0695 Aggregation-prone
132 A E -0.1114 Soluble
133 P E 0.0000 Buried
134 S E -0.0832 Soluble
135 V E 0.0580 Aggregation-prone
136 F E 0.2900 Aggregation-prone
137 I E 0.2032 Aggregation-prone
138 F E 0.0000 Buried
139 P E -0.7712 Soluble
140 P E -0.9659 Soluble
141 S E -1.5274 Soluble
142 D E -2.7582 Soluble
143 E E -2.6766 Soluble
144 Q E 0.0000 Buried
145 L E -1.9751 Soluble
146 K E -2.6800 Soluble
147 S E -1.6886 Soluble
148 G E -1.2582 Soluble
149 T E -0.8546 Soluble
150 A E 0.0000 Buried
151 S E 0.0000 Buried
152 V E 0.0000 Buried
153 V E 0.0000 Buried
154 C E 0.0000 Buried
155 L E 0.0000 Buried
156 L E 0.0000 Buried
157 N E 0.0000 Buried
158 N E -1.0714 Soluble
159 F E 0.0000 Buried
160 Y E 0.0000 Buried
161 P E -1.6356 Soluble
162 R E -2.9652 Soluble
163 E E -3.1258 Soluble
164 A E -2.2620 Soluble
165 K E -2.4416 Soluble
166 V E -1.0945 Soluble
167 Q E -0.5348 Soluble
168 W E 0.0000 Buried
169 K E -0.4352 Soluble
170 V E 0.0000 Buried
171 D E -1.5411 Soluble
172 N E -1.1561 Soluble
173 A E -0.1438 Soluble
174 L E 0.6711 Aggregation-prone
175 Q E -0.1213 Soluble
176 S E -0.4145 Soluble
177 G E -0.8855 Soluble
178 N E -0.8249 Soluble
179 S E -1.0629 Soluble
180 Q E -1.2579 Soluble
181 E E -2.0801 Soluble
182 S E -1.0356 Soluble
183 V E -0.8957 Soluble
184 T E -1.1523 Soluble
185 E E -2.1961 Soluble
186 Q E 0.0000 Buried
187 D E -2.1267 Soluble
188 S E -2.2095 Soluble
189 K E -2.5849 Soluble
190 D E -1.9610 Soluble
191 S E 0.0000 Buried
192 T E 0.0000 Buried
193 Y E 0.0000 Buried
194 S E 0.0000 Buried
195 L E 0.0000 Buried
196 S E 0.0000 Buried
197 S E 0.0000 Buried
198 T E -0.6026 Soluble
199 L E 0.0000 Buried
200 T E -0.2930 Soluble
201 L E -0.3715 Soluble
202 S E -0.9682 Soluble
203 K E -1.9943 Soluble
204 A E -1.7494 Soluble
205 D E -2.2916 Soluble
206 Y E 0.0000 Buried
207 E E -3.7319 Soluble
208 K E -3.4783 Soluble
209 H E -3.1986 Soluble
210 K E -3.4540 Soluble
211 V E -1.8253 Soluble
212 Y E 0.0000 Buried
213 A E 0.0000 Buried
214 C E 0.0000 Buried
215 E E -0.8222 Soluble
216 V E 0.0000 Buried
217 T E -1.2032 Soluble
218 H E 0.0000 Buried
219 Q E -1.5431 Soluble
220 G E -0.4407 Soluble
221 L E -0.2719 Soluble
222 S E -0.5064 Soluble
223 S E -0.4432 Soluble
224 P E -0.5715 Soluble
225 V E -0.0527 Soluble
226 T E -0.5437 Soluble
227 K E -0.7595 Soluble
228 S E -0.6867 Soluble
229 F E -1.2309 Soluble
230 N E -2.6082 Soluble
231 R E -3.2267 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 -0.8058 1.8409 CSV PDB
4.5 -0.8412 1.8409 CSV PDB
5.0 -0.8838 1.8409 CSV PDB
5.5 -0.9237 1.8409 CSV PDB
6.0 -0.949 1.8409 CSV PDB
6.5 -0.9498 1.8409 CSV PDB
7.0 -0.9259 1.8409 CSV PDB
7.5 -0.8862 1.8409 CSV PDB
8.0 -0.8389 1.8409 CSV PDB
8.5 -0.7871 1.8409 CSV PDB
9.0 -0.7312 1.8408 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH