Pateclizumab / 4mxv

A4DAB204_4mxv_H_L | Source PDB: 4mxv | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7051
Max Score
1.3214
Min Score
-4.0549
Total Score
-298.95
Score CDR
-0.0861
Score non-CDR
-0.7786

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYVIHWVRQAPGKGLEWVGYNNPYNAGTNYNEKFKGRFTISSDKSKNTAYLQMNSLRAEDTAVYYCSRPTMLPWFAYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASQAVSSAVAWYQQKPGKAPKLLIYSASHRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQESYSTPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -4.0549
Maximum Score 1.3214
Average Score -0.7051
Total Score -298.954

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

Index Residue Chain A4D Score Classification
1 E H -2.0074 Soluble
2 V H -1.0299 Soluble
3 Q H -1.0678 Soluble
4 L H 0.0000 Buried
5 V H 0.3405 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.6047 Soluble
8 G H -0.8362 Soluble
9 G H -0.6500 Soluble
11 G H -0.3680 Soluble
12 L H -0.0489 Soluble
13 V H 0.0000 Buried
14 Q H -1.7385 Soluble
15 P H -1.9652 Soluble
16 G H -1.6202 Soluble
17 G H 0.0000 Buried
18 S H -1.1048 Soluble
19 L H -1.0952 Soluble
20 R H -2.0358 Soluble
21 L H 0.0000 Buried
22 S H -0.4590 Soluble
23 C H 0.0000 Buried
24 A H -0.2371 Soluble
25 A H 0.0000 Buried
26 S H -0.7170 Soluble
27 G H -1.1170 Soluble
28 Y H -0.4796 Soluble
29 T H -0.1155 Soluble
30 F H 0.0000 Buried
35 T H -0.2198 Soluble
36 S H 0.1983 Aggregation-prone
37 Y H 0.6354 Aggregation-prone
38 V H 0.0000 Buried
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 -0.4658 Soluble
44 Q H -0.7863 Soluble
45 A H -1.1694 Soluble
46 P H -1.0611 Soluble
47 G H -1.4992 Soluble
48 K H -2.3792 Soluble
49 G H -1.5981 Soluble
50 L H 0.0000 Buried
51 E H -0.6287 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 Y H -0.0613 Soluble
56 N H 0.0000 Buried
57 N H -0.4245 Soluble
58 P H 0.0000 Buried
59 Y H 0.2265 Aggregation-prone
62 N H -0.8127 Soluble
63 A H -0.7095 Soluble
64 G H -0.6866 Soluble
65 T H -0.6286 Soluble
66 N H -1.0156 Soluble
67 Y H -1.3359 Soluble
68 N H 0.0000 Buried
69 E H -3.2214 Soluble
70 K H -3.1645 Soluble
71 F H 0.0000 Buried
72 K H -3.1119 Soluble
74 G H -2.0484 Soluble
75 R H -1.7067 Soluble
76 F H 0.0000 Buried
77 T H -0.9507 Soluble
78 I H 0.0000 Buried
79 S H -0.4414 Soluble
80 S H -1.0729 Soluble
81 D H -1.7561 Soluble
82 K H -2.4342 Soluble
83 S H -2.0753 Soluble
84 K H -2.6482 Soluble
85 N H -1.9968 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.5080 Soluble
89 L H 0.0000 Buried
90 Q H -1.1857 Soluble
91 M H 0.0000 Buried
92 N H -1.4372 Soluble
93 S H -1.4315 Soluble
94 L H 0.0000 Buried
95 R H -2.9204 Soluble
96 A H -2.0110 Soluble
97 E H -2.4082 Soluble
98 D H 0.0000 Buried
99 T H -0.8530 Soluble
100 A H 0.0000 Buried
101 V H 0.0570 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 0.7733 Aggregation-prone
109 M H 1.3214 Aggregation-prone
110 L H 1.1143 Aggregation-prone
113 P H 0.7845 Aggregation-prone
114 W H 0.6964 Aggregation-prone
115 F H 0.0000 Buried
116 A H 0.2522 Aggregation-prone
117 Y H 0.2388 Aggregation-prone
118 W H -0.2963 Soluble
119 G H 0.0000 Buried
120 Q H -1.4581 Soluble
121 G H -0.7773 Soluble
122 T H -0.2384 Soluble
123 L H -0.1191 Soluble
124 V H 0.0000 Buried
125 T H -0.5643 Soluble
126 V H 0.0000 Buried
127 S H -0.8258 Soluble
128 S H -0.8870 Soluble
129 A H -0.4445 Soluble
130 S H -0.5614 Soluble
131 T H -0.6229 Soluble
132 K H -1.2611 Soluble
133 G H -1.4564 Soluble
134 P H -0.7066 Soluble
135 S H -0.3073 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1226 Soluble
139 L H 0.0000 Buried
140 A H -0.9533 Soluble
141 P H 0.0000 Buried
142 S H -0.4137 Soluble
143 G H -0.6372 Soluble
144 T H -0.5024 Soluble
145 A H -0.2378 Soluble
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 -0.5487 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.8210 Soluble
158 P H -0.9626 Soluble
159 V H -0.8263 Soluble
160 T H -0.7490 Soluble
161 V H -0.2180 Soluble
162 S H -0.3782 Soluble
163 W H 0.0000 Buried
164 N H -0.6972 Soluble
165 S H -0.5840 Soluble
166 G H -0.4854 Soluble
167 A H -0.2007 Soluble
168 L H -0.0015 Soluble
169 T H -0.1621 Soluble
170 S H -0.1901 Soluble
171 G H -0.2228 Soluble
172 V H 0.1654 Aggregation-prone
173 H H -0.1795 Soluble
174 T H 0.0275 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2175 Soluble
177 A H 0.1460 Aggregation-prone
178 V H 0.3566 Aggregation-prone
179 L H 1.1097 Aggregation-prone
180 Q H 0.2516 Aggregation-prone
181 S H -0.0814 Soluble
182 S H -0.2432 Soluble
183 G H -0.0520 Soluble
184 L H -0.0040 Soluble
185 Y H 0.2741 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
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 -0.1277 Soluble
193 V H 0.0000 Buried
194 P H -0.4863 Soluble
195 S H -0.5135 Soluble
196 S H -0.5574 Soluble
197 S H -0.5209 Soluble
198 L H -0.6892 Soluble
199 G H -0.9807 Soluble
200 T H -0.6479 Soluble
201 Q H -1.0766 Soluble
202 T H -1.1118 Soluble
203 Y H 0.0000 Buried
204 I H -1.3136 Soluble
205 C H 0.0000 Buried
206 N H -1.4608 Soluble
207 V H 0.0000 Buried
208 N H -2.2344 Soluble
209 H H 0.0000 Buried
210 K H -2.9121 Soluble
211 P H -1.6772 Soluble
212 S H -1.8858 Soluble
213 N H -2.6116 Soluble
214 T H -2.2200 Soluble
215 K H -2.8542 Soluble
216 V H -1.8137 Soluble
217 D H -2.3336 Soluble
218 K H -2.2225 Soluble
219 K H -2.5951 Soluble
220 V H 0.0000 Buried
221 E H -2.8648 Soluble
222 P H -1.9206 Soluble
223 K H -2.2440 Soluble
1 D L -2.2922 Soluble
2 I L 0.0000 Buried
3 Q L -2.3370 Soluble
4 M L 0.0000 Buried
5 T L -1.3426 Soluble
6 Q L 0.0000 Buried
7 S L -0.9387 Soluble
8 P L -0.5750 Soluble
9 S L -0.9494 Soluble
10 S L -0.9950 Soluble
11 L L -0.7054 Soluble
12 S L -1.0326 Soluble
13 A L 0.0000 Buried
14 S L -1.0382 Soluble
15 V L -0.0818 Soluble
16 G L -0.5162 Soluble
17 D L -1.6498 Soluble
18 R L -2.2089 Soluble
19 V L 0.0000 Buried
20 T L -0.6440 Soluble
21 I L 0.0000 Buried
22 T L -0.8421 Soluble
23 C L 0.0000 Buried
24 R L -2.7168 Soluble
25 A L 0.0000 Buried
26 S L -2.0183 Soluble
27 Q L -1.9872 Soluble
28 A L -0.9251 Soluble
29 V L 0.0000 Buried
36 S L -0.2771 Soluble
37 S L -0.2919 Soluble
38 A L 0.3175 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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.6455 Soluble
46 P L -1.4234 Soluble
47 G L -1.6054 Soluble
48 K L -2.4560 Soluble
49 A L -1.5097 Soluble
50 P L 0.0000 Buried
51 K L -1.4098 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3018 Soluble
56 S L -0.4104 Soluble
57 A L 0.0000 Buried
65 S L -1.0985 Soluble
66 H L -1.5982 Soluble
67 R L -1.6978 Soluble
68 Y L -0.9053 Soluble
69 T L -0.6412 Soluble
70 G L -0.6813 Soluble
71 V L 0.0000 Buried
72 P L -0.5965 Soluble
74 S L -0.7079 Soluble
75 R L -0.8271 Soluble
76 F L 0.0000 Buried
77 S L -0.8435 Soluble
78 G L -0.7631 Soluble
79 S L -0.7602 Soluble
80 G L -1.0330 Soluble
83 S L -0.8132 Soluble
84 G L -1.0543 Soluble
85 T L -1.5966 Soluble
86 D L -1.9584 Soluble
87 F L 0.0000 Buried
88 T L -0.7464 Soluble
89 L L 0.0000 Buried
90 T L -0.6098 Soluble
91 I L 0.0000 Buried
92 S L -1.3677 Soluble
93 S L -0.9863 Soluble
94 L L 0.0000 Buried
95 Q L -0.7426 Soluble
96 P L -1.4712 Soluble
97 E L -1.5645 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
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 1.2239 Aggregation-prone
109 S L 0.2773 Aggregation-prone
114 T L -0.3922 Soluble
115 P L -0.7791 Soluble
116 W L 0.0000 Buried
117 T L -0.5791 Soluble
118 F L -0.4382 Soluble
119 G L 0.0000 Buried
120 Q L -1.8607 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.0660 Soluble
124 V L 0.0000 Buried
125 E L -1.5712 Soluble
126 I L 0.0000 Buried
127 K L -1.8194 Soluble
128 R L -1.1473 Soluble
129 T L -0.1800 Soluble
130 V L 0.3904 Aggregation-prone
131 A L 0.0217 Aggregation-prone
132 A L -0.1052 Soluble
133 P L 0.0000 Buried
134 S L -0.1104 Soluble
135 V L 0.0000 Buried
136 F L 0.1655 Aggregation-prone
137 I L 0.1264 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7502 Soluble
140 P L -0.9150 Soluble
141 S L -1.3785 Soluble
142 D L -2.5710 Soluble
143 E L -2.2989 Soluble
144 Q L 0.0000 Buried
145 L L -1.8839 Soluble
146 K L -2.5872 Soluble
147 S L -1.6460 Soluble
148 G L -1.2742 Soluble
149 T L -1.0957 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 -0.9109 Soluble
159 F L 0.0000 Buried
160 Y L -1.0494 Soluble
161 P L -1.5922 Soluble
162 R L -2.5432 Soluble
163 E L -3.0502 Soluble
164 A L -2.2432 Soluble
165 K L -2.4050 Soluble
166 V L -1.0816 Soluble
167 Q L -0.5371 Soluble
168 W L 0.0000 Buried
169 K L -0.3817 Soluble
170 V L 0.0000 Buried
171 D L -1.7180 Soluble
172 N L -1.1799 Soluble
173 A L -0.1630 Soluble
174 L L 0.6750 Aggregation-prone
175 Q L -0.3567 Soluble
176 S L -0.6902 Soluble
177 G L -1.3609 Soluble
178 N L -1.7322 Soluble
179 S L -1.5301 Soluble
180 Q L -1.5044 Soluble
181 E L -1.8538 Soluble
182 S L -0.8116 Soluble
183 V L -0.3426 Soluble
184 T L -0.7553 Soluble
185 E L -1.7085 Soluble
186 Q L 0.0000 Buried
187 D L -2.1695 Soluble
188 S L -2.0808 Soluble
189 K L -2.5380 Soluble
190 D L -1.9141 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 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7788 Soluble
199 L L 0.0000 Buried
200 T L -0.7323 Soluble
201 L L -0.8067 Soluble
202 S L -1.2851 Soluble
203 K L -2.4847 Soluble
204 A L -2.1734 Soluble
205 D L -3.0216 Soluble
206 Y L 0.0000 Buried
207 E L -4.0549 Soluble
208 K L -3.9872 Soluble
209 H L -3.3811 Soluble
210 K L -3.5284 Soluble
211 V L -1.9916 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7150 Soluble
216 V L 0.0000 Buried
217 T L -1.2189 Soluble
218 H L 0.0000 Buried
219 Q L -1.6878 Soluble
220 G L -0.4201 Soluble
221 L L -0.2470 Soluble
222 S L -0.4823 Soluble
223 S L -0.4148 Soluble
224 P L -0.5372 Soluble
225 V L 0.0767 Aggregation-prone
226 T L -0.4150 Soluble
227 K L -0.6452 Soluble
228 S L -0.7978 Soluble
229 F L -1.2421 Soluble
230 N L -2.5900 Soluble
231 R L -3.4552 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.8239 1.8448 CSV PDB
4.5 -0.8594 1.8448 CSV PDB
5.0 -0.9007 1.8448 CSV PDB
5.5 -0.9386 1.8448 CSV PDB
6.0 -0.9616 1.8448 CSV PDB
6.5 -0.9601 1.8448 CSV PDB
7.0 -0.9341 1.8448 CSV PDB
7.5 -0.8924 1.8448 CSV PDB
8.0 -0.8429 1.8448 CSV PDB
8.5 -0.788 1.8447 CSV PDB
9.0 -0.7282 1.8446 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH