Pateclizumab / 4mxw

A4DAB204_4mxw_W_V | Source PDB: 4mxw | Chains: W, V | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6704
Max Score
1.6415
Min Score
-3.9622
Total Score
-283.59
Score CDR
-0.1091
Score non-CDR
-0.7373

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) W (Heavy), V (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 -3.9622
Maximum Score 1.6415
Average Score -0.6704
Total Score -283.595

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

Index Residue Chain A4D Score Classification
1 E W -2.0908 Soluble
2 V W -1.1899 Soluble
3 Q W -1.4451 Soluble
4 L W 0.0000 Buried
5 V W 0.0621 Aggregation-prone
6 E W 0.0000 Buried
7 S W -0.3669 Soluble
8 G W -0.6929 Soluble
9 G W 0.0000 Buried
11 G W 0.0000 Buried
12 L W -0.0274 Soluble
13 V W 0.0000 Buried
14 Q W -1.6964 Soluble
15 P W -1.5928 Soluble
16 G W -1.4056 Soluble
17 G W -1.1270 Soluble
18 S W -1.2349 Soluble
19 L W -1.0375 Soluble
20 R W -1.9047 Soluble
21 L W 0.0000 Buried
22 S W -0.4404 Soluble
23 C W 0.0000 Buried
24 A W -0.4258 Soluble
25 A W 0.0000 Buried
26 S W -1.0861 Soluble
27 G W -1.3642 Soluble
28 Y W -0.5767 Soluble
29 T W -0.1008 Soluble
30 F W 0.0000 Buried
35 T W -0.2632 Soluble
36 S W 0.1838 Aggregation-prone
37 Y W 0.8230 Aggregation-prone
38 V W 0.5424 Aggregation-prone
39 I W 0.0000 Buried
40 H W 0.0000 Buried
41 W W 0.0000 Buried
42 V W 0.0000 Buried
43 R W 0.0000 Buried
44 Q W 0.0000 Buried
45 A W -1.1155 Soluble
46 P W -0.9722 Soluble
47 G W -1.4832 Soluble
48 K W -2.3437 Soluble
49 G W -1.5393 Soluble
50 L W 0.0000 Buried
51 E W -0.5182 Soluble
52 W W 0.0000 Buried
53 V W 0.0000 Buried
54 G W 0.0000 Buried
55 Y W -0.1521 Soluble
56 N W 0.0000 Buried
57 N W -0.4670 Soluble
58 P W 0.0000 Buried
59 Y W 0.2297 Aggregation-prone
62 N W -0.8125 Soluble
63 A W -0.6287 Soluble
64 G W -0.8319 Soluble
65 T W -0.8534 Soluble
66 N W -1.5111 Soluble
67 Y W -1.6639 Soluble
68 N W 0.0000 Buried
69 E W -3.5199 Soluble
70 K W -3.1504 Soluble
71 F W 0.0000 Buried
72 K W -3.3522 Soluble
74 G W -2.0463 Soluble
75 R W -1.9324 Soluble
76 F W 0.0000 Buried
77 T W -1.0752 Soluble
78 I W 0.0000 Buried
79 S W -0.5241 Soluble
80 S W -1.0447 Soluble
81 D W -1.8399 Soluble
82 K W -2.5596 Soluble
83 S W -2.1395 Soluble
84 K W -2.7370 Soluble
85 N W -2.1191 Soluble
86 T W 0.0000 Buried
87 A W 0.0000 Buried
88 Y W -0.5033 Soluble
89 L W 0.0000 Buried
90 Q W -1.4337 Soluble
91 M W 0.0000 Buried
92 N W -1.3811 Soluble
93 S W -1.2289 Soluble
94 L W 0.0000 Buried
95 R W -2.4861 Soluble
96 A W -1.7546 Soluble
97 E W -2.2447 Soluble
98 D W 0.0000 Buried
99 T W -0.7834 Soluble
100 A W 0.0000 Buried
101 V W 0.1046 Aggregation-prone
102 Y W 0.0000 Buried
103 Y W 0.0000 Buried
104 C W 0.0000 Buried
105 S W 0.0000 Buried
106 R W 0.0000 Buried
107 P W 0.0000 Buried
108 T W 0.7492 Aggregation-prone
109 M W 1.2623 Aggregation-prone
110 L W 1.0351 Aggregation-prone
113 P W 0.6837 Aggregation-prone
114 W W 0.6579 Aggregation-prone
115 F W 0.0000 Buried
116 A W 0.3051 Aggregation-prone
117 Y W 0.2210 Aggregation-prone
118 W W -0.3563 Soluble
119 G W 0.0000 Buried
120 Q W -1.5967 Soluble
121 G W 0.0000 Buried
122 T W -0.0342 Soluble
123 L W 0.2778 Aggregation-prone
124 V W 0.0000 Buried
125 T W -0.3119 Soluble
126 V W 0.0000 Buried
127 S W -0.8439 Soluble
128 S W -0.7556 Soluble
129 A W -0.4827 Soluble
130 S W -0.6125 Soluble
131 T W -0.6287 Soluble
132 K W -1.2597 Soluble
133 G W -1.3912 Soluble
134 P W -0.5763 Soluble
135 S W -0.3049 Soluble
136 V W 0.0000 Buried
137 F W 0.0000 Buried
138 P W -0.9681 Soluble
139 L W 0.0000 Buried
140 A W -1.1279 Soluble
141 P W -0.6734 Soluble
142 S W -0.5536 Soluble
143 T W -0.2456 Soluble
144 A W -0.1518 Soluble
145 A W 0.0000 Buried
146 L W 0.0000 Buried
147 G W 0.0000 Buried
148 C W 0.0000 Buried
149 L W 0.0000 Buried
150 V W 0.0000 Buried
151 K W 0.0000 Buried
152 D W -0.2615 Soluble
153 Y W 0.0000 Buried
154 F W 0.0000 Buried
155 P W 0.0000 Buried
156 E W -0.5612 Soluble
157 P W -0.6090 Soluble
158 V W -0.5502 Soluble
159 T W -0.5864 Soluble
160 V W -0.3571 Soluble
161 S W -0.4514 Soluble
162 W W 0.0000 Buried
163 N W -0.8388 Soluble
164 S W -0.7266 Soluble
165 G W -0.5857 Soluble
166 A W -0.2543 Soluble
167 L W 0.0306 Aggregation-prone
168 T W -0.1857 Soluble
169 S W -0.2075 Soluble
170 G W -0.2595 Soluble
171 V W 0.1804 Aggregation-prone
172 H W -0.2348 Soluble
173 T W 0.0417 Aggregation-prone
174 F W 0.0000 Buried
175 P W -0.0922 Soluble
176 A W 0.4057 Aggregation-prone
177 V W 0.7887 Aggregation-prone
178 L W 1.6415 Aggregation-prone
179 Q W 0.0000 Buried
180 S W 0.0630 Aggregation-prone
181 S W -0.1085 Soluble
182 G W 0.1475 Aggregation-prone
183 L W 0.2616 Aggregation-prone
184 Y W 0.6243 Aggregation-prone
185 S W 0.0000 Buried
186 L W 0.2813 Aggregation-prone
187 S W 0.0000 Buried
188 S W 0.0000 Buried
189 V W 0.0000 Buried
190 V W 0.0000 Buried
191 T W -0.0999 Soluble
192 V W 0.0000 Buried
193 P W -0.4687 Soluble
194 S W -0.3957 Soluble
195 S W -0.4935 Soluble
196 S W -0.5522 Soluble
197 L W -0.6625 Soluble
198 G W -0.8999 Soluble
199 T W -0.7032 Soluble
200 Q W -1.1848 Soluble
201 T W -0.9900 Soluble
202 Y W 0.0000 Buried
203 I W -1.1584 Soluble
204 C W 0.0000 Buried
205 N W -1.4605 Soluble
206 V W 0.0000 Buried
207 N W -1.8701 Soluble
208 H W 0.0000 Buried
209 K W -2.7331 Soluble
210 P W -1.5374 Soluble
211 S W -1.8538 Soluble
212 N W -2.6133 Soluble
213 T W -1.9916 Soluble
214 K W -2.5475 Soluble
215 V W -1.2996 Soluble
216 D W -2.3452 Soluble
217 K W -1.9928 Soluble
218 K W -2.1309 Soluble
219 V W 0.0000 Buried
220 E W -2.5032 Soluble
221 P W -1.7661 Soluble
222 K W -2.1522 Soluble
1 D V -2.2384 Soluble
2 I V 0.0000 Buried
3 Q V -2.0881 Soluble
4 M V 0.0000 Buried
5 T V -1.4369 Soluble
6 Q V 0.0000 Buried
7 S V -0.8104 Soluble
8 P V -0.5749 Soluble
9 S V -0.7874 Soluble
10 S V -0.8084 Soluble
11 L V -0.4659 Soluble
12 S V -0.8920 Soluble
13 A V 0.0000 Buried
14 S V -1.0381 Soluble
15 V V 0.0862 Aggregation-prone
16 G V -0.9845 Soluble
17 D V -2.1854 Soluble
18 R V -2.5194 Soluble
19 V V 0.0000 Buried
20 T V -0.7055 Soluble
21 I V 0.0000 Buried
22 T V -0.7580 Soluble
23 C V 0.0000 Buried
24 R V -2.6064 Soluble
25 A V 0.0000 Buried
26 S V -1.8367 Soluble
27 Q V -1.8204 Soluble
28 A V -0.7942 Soluble
29 V V 0.0000 Buried
36 S V -0.2578 Soluble
37 S V -0.2543 Soluble
38 A V 0.2254 Aggregation-prone
39 V V 0.0000 Buried
40 A V 0.0000 Buried
41 W V 0.0000 Buried
42 Y V 0.0000 Buried
43 Q V 0.0000 Buried
44 Q V 0.0000 Buried
45 K V -1.6261 Soluble
46 P V -1.3869 Soluble
47 G V -1.6629 Soluble
48 K V -2.4764 Soluble
49 A V -1.4936 Soluble
50 P V 0.0000 Buried
51 K V -1.1176 Soluble
52 L V 0.0000 Buried
53 L V 0.0000 Buried
54 I V 0.0000 Buried
55 Y V -0.3210 Soluble
56 S V -0.4117 Soluble
57 A V 0.0000 Buried
65 S V -1.0933 Soluble
66 H V -1.6803 Soluble
67 R V -1.8626 Soluble
68 Y V -0.9462 Soluble
69 T V -0.6268 Soluble
70 G V -0.7010 Soluble
71 V V 0.0000 Buried
72 P V -0.5940 Soluble
74 S V -0.7326 Soluble
75 R V -0.8619 Soluble
76 F V 0.0000 Buried
77 S V -0.8172 Soluble
78 G V -0.7499 Soluble
79 S V -0.6930 Soluble
80 G V -0.9437 Soluble
83 S V -0.6629 Soluble
84 G V -0.9084 Soluble
85 T V -1.3660 Soluble
86 D V -1.8185 Soluble
87 F V 0.0000 Buried
88 T V -0.6760 Soluble
89 L V 0.0000 Buried
90 T V -0.6221 Soluble
91 I V 0.0000 Buried
92 S V -1.5639 Soluble
93 S V -1.2563 Soluble
94 L V 0.0000 Buried
95 Q V -1.0178 Soluble
96 P V -1.4797 Soluble
97 E V -1.7536 Soluble
98 D V 0.0000 Buried
99 F V 0.0000 Buried
100 A V 0.0000 Buried
101 T V -0.9297 Soluble
102 Y V 0.0000 Buried
103 Y V 0.0000 Buried
104 C V 0.0000 Buried
105 Q V 0.0000 Buried
106 E V 0.0000 Buried
107 S V 0.0000 Buried
108 Y V 0.8741 Aggregation-prone
109 S V 0.0217 Aggregation-prone
114 T V -0.5763 Soluble
115 P V -0.9739 Soluble
116 W V 0.0000 Buried
117 T V -0.6426 Soluble
118 F V -0.4417 Soluble
119 G V 0.0000 Buried
120 Q V -1.7375 Soluble
121 G V 0.0000 Buried
122 T V 0.0000 Buried
123 K V -1.6151 Soluble
124 V V 0.0000 Buried
125 E V -1.6424 Soluble
126 I V 0.0000 Buried
127 K V -1.4730 Soluble
128 R V -0.8819 Soluble
129 T V -0.0456 Soluble
130 V V 0.6901 Aggregation-prone
131 A V 0.0589 Aggregation-prone
132 A V -0.0392 Soluble
133 P V 0.0000 Buried
134 S V -0.0976 Soluble
135 V V 0.0000 Buried
136 F V 0.1580 Aggregation-prone
137 I V 0.1349 Aggregation-prone
138 F V 0.0000 Buried
139 P V -0.7158 Soluble
140 P V 0.0000 Buried
141 S V -1.2694 Soluble
142 D V -2.4444 Soluble
143 E V -2.1307 Soluble
144 Q V 0.0000 Buried
145 L V -1.7780 Soluble
146 K V -2.5265 Soluble
147 S V -1.5529 Soluble
148 G V -1.0918 Soluble
149 T V -0.8066 Soluble
150 A V 0.0000 Buried
151 S V 0.0000 Buried
152 V V 0.0000 Buried
153 V V 0.0000 Buried
154 C V 0.0000 Buried
155 L V 0.0000 Buried
156 L V 0.0000 Buried
157 N V 0.0000 Buried
158 N V -0.7543 Soluble
159 F V 0.0000 Buried
160 Y V 0.0000 Buried
161 P V -1.8053 Soluble
162 R V -3.0634 Soluble
163 E V -3.2247 Soluble
164 A V -2.3482 Soluble
165 K V -2.3504 Soluble
166 V V -1.0976 Soluble
167 Q V -0.6228 Soluble
168 W V 0.0000 Buried
169 K V -0.7226 Soluble
170 V V 0.0000 Buried
171 D V -1.9265 Soluble
172 N V -1.3926 Soluble
173 A V -0.2930 Soluble
174 L V 0.7442 Aggregation-prone
175 Q V -0.0295 Soluble
176 S V -0.4245 Soluble
177 G V -0.8706 Soluble
178 N V -0.8260 Soluble
179 S V -1.0292 Soluble
180 Q V -1.0877 Soluble
181 E V -1.5445 Soluble
182 S V -0.7489 Soluble
183 V V -0.7012 Soluble
184 T V -0.9083 Soluble
185 E V -1.7896 Soluble
186 Q V 0.0000 Buried
187 D V -1.9446 Soluble
188 S V -2.0609 Soluble
189 K V -2.5052 Soluble
190 D V -1.8208 Soluble
191 S V 0.0000 Buried
192 T V 0.0000 Buried
193 Y V 0.0000 Buried
194 S V 0.0000 Buried
195 L V -0.5392 Soluble
196 S V 0.0000 Buried
197 S V 0.0000 Buried
198 T V -0.5578 Soluble
199 L V 0.0000 Buried
200 T V -0.2780 Soluble
201 L V -0.4383 Soluble
202 S V -0.9859 Soluble
203 K V -1.9882 Soluble
204 A V -1.9114 Soluble
205 D V -2.5509 Soluble
206 Y V 0.0000 Buried
207 E V -3.9622 Soluble
208 K V -3.7919 Soluble
209 H V -3.4284 Soluble
210 K V -3.5989 Soluble
211 V V -1.8639 Soluble
212 Y V 0.0000 Buried
213 A V 0.0000 Buried
214 C V 0.0000 Buried
215 E V -0.9565 Soluble
216 V V 0.0000 Buried
217 T V -1.2027 Soluble
218 H V 0.0000 Buried
219 Q V -1.2649 Soluble
220 G V -0.3531 Soluble
221 L V -0.2002 Soluble
222 S V -0.4689 Soluble
223 S V -0.4472 Soluble
224 P V -0.6050 Soluble
225 V V 0.0024 Aggregation-prone
226 T V -0.4417 Soluble
227 K V -0.5686 Soluble
228 S V -0.5820 Soluble
229 F V -1.1219 Soluble
230 N V -2.6092 Soluble
231 R V -3.4161 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 -0.8286 1.8357 CSV PDB
4.5 -0.8649 1.8263 CSV PDB
5.0 -0.9065 1.8161 CSV PDB
5.5 -0.9441 1.8056 CSV PDB
6.0 -0.9661 1.795 CSV PDB
6.5 -0.9637 1.7844 CSV PDB
7.0 -0.9382 1.7739 CSV PDB
7.5 -0.8987 1.77 CSV PDB
8.0 -0.8524 1.77 CSV PDB
8.5 -0.8016 1.7699 CSV PDB
9.0 -0.7462 1.7697 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH