Motavizumab / 3qwo

A4DAB172_3qwo_A_B | Source PDB: 3qwo | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.706
Max Score
2.5579
Min Score
-3.8341
Total Score
-303.6
Score CDR
-0.2103
Score non-CDR
-0.7654

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) A (Heavy), B (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 -3.8341
Maximum Score 2.5579
Average Score -0.706
Total Score -303.5992

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

Index Residue Chain A4D Score Classification
1 Q A -1.2162 Soluble
2 V A -0.5519 Soluble
3 T A -0.8427 Soluble
4 L A 0.0000 Buried
5 R A -2.2252 Soluble
6 E A 0.0000 Buried
7 S A -0.6627 Soluble
8 G A -0.2973 Soluble
9 P A -0.3729 Soluble
11 A A -0.4028 Soluble
12 L A -0.2480 Soluble
13 V A 0.0000 Buried
14 K A -2.2605 Soluble
15 P A -1.9845 Soluble
16 T A -1.9803 Soluble
17 Q A -2.2737 Soluble
18 T A -1.6582 Soluble
19 L A 0.0000 Buried
20 T A -0.5895 Soluble
21 L A 0.0000 Buried
22 T A -0.5237 Soluble
23 C A 0.0000 Buried
24 T A -1.1586 Soluble
25 F A 0.0000 Buried
26 S A -0.8568 Soluble
27 G A -0.8405 Soluble
28 F A 0.0000 Buried
29 S A -0.5100 Soluble
30 L A 0.0000 Buried
31 S A -0.5687 Soluble
34 T A -0.0966 Soluble
35 A A 0.1625 Aggregation-prone
36 G A 0.0000 Buried
37 M A 0.6478 Aggregation-prone
38 S A 0.0000 Buried
39 V A 0.0000 Buried
40 G A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.8568 Soluble
45 P A -0.9498 Soluble
46 P A -1.0754 Soluble
47 G A -1.4527 Soluble
48 K A -2.1779 Soluble
49 A A -1.2101 Soluble
50 L A 0.0000 Buried
51 E A -0.6503 Soluble
52 W A 0.0000 Buried
53 L A 0.0000 Buried
54 A A 0.0000 Buried
55 D A 0.0000 Buried
56 I A 0.0000 Buried
57 W A 0.0000 Buried
58 W A -0.8178 Soluble
59 D A -1.8716 Soluble
63 D A -2.8120 Soluble
64 K A -2.9520 Soluble
65 K A -2.0399 Soluble
66 H A -1.1769 Soluble
67 Y A -0.9670 Soluble
68 N A -1.1506 Soluble
69 P A -1.4857 Soluble
70 S A -1.1094 Soluble
71 L A 0.0000 Buried
72 K A -2.8101 Soluble
74 D A -2.9618 Soluble
75 R A -2.2186 Soluble
76 L A 0.0000 Buried
77 T A -1.0434 Soluble
78 I A 0.0000 Buried
79 S A -1.0117 Soluble
80 K A -1.2196 Soluble
81 D A -1.4792 Soluble
82 T A -1.3146 Soluble
83 S A -1.4683 Soluble
84 K A -2.3023 Soluble
85 N A -1.7251 Soluble
86 Q A -1.4741 Soluble
87 V A 0.0000 Buried
88 V A -0.1957 Soluble
89 L A 0.0000 Buried
90 K A -1.0211 Soluble
91 V A 0.0000 Buried
92 T A -1.7716 Soluble
93 N A -2.4788 Soluble
94 M A 0.0000 Buried
95 D A -2.2623 Soluble
96 P A -1.1597 Soluble
97 A A -0.5669 Soluble
98 D A 0.0000 Buried
99 T A -0.3922 Soluble
100 A A 0.0000 Buried
101 T A -0.2634 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.0000 Buried
107 D A 0.0000 Buried
108 M A 1.4640 Aggregation-prone
109 I A 2.3051 Aggregation-prone
110 F A 2.5579 Aggregation-prone
112 N A 1.2527 Aggregation-prone
113 F A 1.1988 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.3057 Soluble
117 V A -0.1471 Soluble
118 W A -0.5415 Soluble
119 G A 0.0000 Buried
120 Q A -2.0469 Soluble
121 G A 0.0000 Buried
122 T A -0.6676 Soluble
123 T A -0.3165 Soluble
124 V A 0.0000 Buried
125 T A -0.4869 Soluble
126 V A 0.0000 Buried
127 S A -0.9218 Soluble
128 S A -0.7530 Soluble
129 A A -0.5469 Soluble
130 S A -0.6869 Soluble
131 T A -0.7768 Soluble
132 K A -1.4195 Soluble
133 G A -1.6619 Soluble
134 P A -0.8090 Soluble
135 S A -0.5307 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1756 Soluble
139 L A 0.0000 Buried
140 A A -0.8681 Soluble
141 P A 0.0000 Buried
142 S A -0.6371 Soluble
143 S A -0.5559 Soluble
144 K A -0.7982 Soluble
145 S A 0.0000 Buried
146 T A -0.5422 Soluble
147 S A -0.5943 Soluble
148 G A -0.8634 Soluble
149 G A -0.9165 Soluble
150 T A -0.6030 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.7120 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.6021 Soluble
164 P A -0.6901 Soluble
165 V A -0.6936 Soluble
166 T A -0.5905 Soluble
167 V A -0.3857 Soluble
168 S A -0.4038 Soluble
169 W A 0.0000 Buried
170 N A -0.7090 Soluble
171 S A -0.6489 Soluble
172 G A -0.5372 Soluble
173 A A -0.2184 Soluble
174 L A 0.0366 Aggregation-prone
175 T A -0.1571 Soluble
176 S A -0.1838 Soluble
177 G A -0.0708 Soluble
178 V A 0.1923 Aggregation-prone
179 H A -0.2369 Soluble
180 T A -0.0925 Soluble
181 F A 0.0000 Buried
182 P A -0.2089 Soluble
183 A A 0.2879 Aggregation-prone
184 V A 0.5802 Aggregation-prone
185 L A 1.2547 Aggregation-prone
186 Q A 0.1503 Aggregation-prone
187 S A -0.2373 Soluble
188 S A -0.2883 Soluble
189 G A -0.0670 Soluble
190 L A -0.0597 Soluble
191 Y A 0.3644 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1583 Soluble
199 V A 0.0000 Buried
200 P A -0.6279 Soluble
201 S A -0.5658 Soluble
202 S A -0.5366 Soluble
203 S A -0.5297 Soluble
204 L A -0.7707 Soluble
205 G A -1.1100 Soluble
206 T A -0.8525 Soluble
207 Q A -1.1289 Soluble
208 T A -1.0829 Soluble
209 Y A 0.0000 Buried
210 I A -1.2840 Soluble
211 C A 0.0000 Buried
212 N A -1.5418 Soluble
213 V A 0.0000 Buried
214 N A -2.0075 Soluble
215 H A 0.0000 Buried
216 K A -2.8098 Soluble
217 P A -1.6328 Soluble
218 S A -1.9201 Soluble
219 N A -2.5801 Soluble
220 T A -2.1700 Soluble
221 K A -2.7444 Soluble
222 V A -1.6414 Soluble
223 D A -2.5991 Soluble
224 K A -2.2379 Soluble
225 K A -2.5507 Soluble
226 V A 0.0000 Buried
227 E A -2.4115 Soluble
228 P A -1.1879 Soluble
1 D B -1.9411 Soluble
2 I B -1.4542 Soluble
3 Q B -1.6484 Soluble
4 M B 0.0000 Buried
5 T B -0.7554 Soluble
6 Q B 0.0000 Buried
7 S B -0.6212 Soluble
8 P B -0.6317 Soluble
9 S B -0.8809 Soluble
10 T B -0.8748 Soluble
11 L B -0.5989 Soluble
12 S B -0.7456 Soluble
13 A B 0.0000 Buried
14 S B -0.9295 Soluble
15 V B -0.2330 Soluble
16 G B -0.9019 Soluble
17 D B -1.9273 Soluble
18 R B -2.3878 Soluble
19 V B 0.0000 Buried
20 T B -0.5906 Soluble
21 I B 0.0000 Buried
22 T B -0.5752 Soluble
23 C B 0.0000 Buried
24 S B -1.3331 Soluble
25 A B 0.0000 Buried
26 S B -1.4896 Soluble
27 S B -1.7834 Soluble
28 R B -2.2559 Soluble
29 V B 0.0000 Buried
37 G B -0.4995 Soluble
38 Y B 0.4632 Aggregation-prone
39 M B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.3520 Soluble
45 K B -1.9210 Soluble
46 P B -1.4141 Soluble
47 G B -1.7880 Soluble
48 K B -2.5744 Soluble
49 A B -1.6544 Soluble
50 P B 0.0000 Buried
51 K B -1.3864 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2258 Soluble
56 D B -0.3070 Soluble
57 T B -0.3724 Soluble
65 S B -0.8184 Soluble
66 K B -1.3586 Soluble
67 L B -0.3384 Soluble
68 A B 0.0000 Buried
69 S B -0.4582 Soluble
70 G B -0.4437 Soluble
71 V B -0.2589 Soluble
72 P B -0.3355 Soluble
74 S B -0.4324 Soluble
75 R B -0.8818 Soluble
76 F B 0.0000 Buried
77 S B -0.5402 Soluble
78 G B 0.0000 Buried
79 S B -0.8204 Soluble
80 G B -0.9077 Soluble
83 S B -1.1156 Soluble
84 G B -1.4658 Soluble
85 T B -1.7400 Soluble
86 E B -2.2687 Soluble
87 F B 0.0000 Buried
88 T B -0.6447 Soluble
89 L B 0.0000 Buried
90 T B -0.6217 Soluble
91 I B 0.0000 Buried
92 S B -1.6010 Soluble
93 S B -1.3673 Soluble
94 L B 0.0000 Buried
95 Q B -1.1818 Soluble
96 P B -1.7563 Soluble
97 D B -2.2102 Soluble
98 D B 0.0000 Buried
99 F B -1.3856 Soluble
100 A B 0.0000 Buried
101 T B -1.0007 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 F B 0.0000 Buried
106 Q B 0.0000 Buried
107 G B 0.0000 Buried
108 S B -0.1432 Soluble
109 G B -0.1650 Soluble
114 Y B 0.1112 Aggregation-prone
115 P B 0.0000 Buried
116 F B 0.0000 Buried
117 T B -0.5290 Soluble
118 F B -0.2225 Soluble
119 G B 0.0000 Buried
120 G B -1.1645 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.9293 Soluble
124 V B 0.0000 Buried
125 E B -1.3276 Soluble
126 I B 0.0000 Buried
127 K B -1.3433 Soluble
128 R B -0.8864 Soluble
129 T B -0.1410 Soluble
130 V B 0.3438 Aggregation-prone
131 A B 0.1225 Aggregation-prone
132 A B -0.0907 Soluble
133 P B 0.0000 Buried
134 S B -0.0992 Soluble
135 V B -0.1476 Soluble
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.8611 Soluble
140 P B -1.0113 Soluble
141 S B -1.6497 Soluble
142 D B -3.0149 Soluble
143 E B -3.0096 Soluble
144 Q B 0.0000 Buried
145 L B -2.3132 Soluble
146 K B -2.8931 Soluble
147 S B -1.8210 Soluble
148 G B -1.5001 Soluble
149 T B -1.3456 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.7537 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4543 Soluble
162 R B -2.1586 Soluble
163 E B -2.8687 Soluble
164 A B -2.1817 Soluble
165 K B -2.3333 Soluble
166 V B -1.2779 Soluble
167 Q B -0.8346 Soluble
168 W B 0.0000 Buried
169 K B -0.6923 Soluble
170 V B 0.0000 Buried
171 D B -1.8387 Soluble
172 N B -1.4867 Soluble
173 A B -0.2465 Soluble
174 L B 0.6489 Aggregation-prone
175 Q B -0.3471 Soluble
176 S B -0.6996 Soluble
177 G B -1.1958 Soluble
178 N B -1.4611 Soluble
179 S B -1.4416 Soluble
180 Q B -1.5115 Soluble
181 E B -1.8836 Soluble
182 S B -0.8383 Soluble
183 V B -0.5562 Soluble
184 T B -0.7399 Soluble
185 E B -1.6548 Soluble
186 Q B 0.0000 Buried
187 D B -1.9178 Soluble
188 S B -2.2334 Soluble
189 K B -2.6180 Soluble
190 D B -1.8403 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7758 Soluble
199 L B 0.0000 Buried
200 T B -0.6754 Soluble
201 L B -0.9333 Soluble
202 S B -1.3804 Soluble
203 K B -2.2516 Soluble
204 A B -2.0686 Soluble
205 D B -2.9535 Soluble
206 Y B 0.0000 Buried
207 E B -3.6488 Soluble
208 K B -3.8341 Soluble
209 H B -3.2872 Soluble
210 K B -3.6167 Soluble
211 V B -2.0612 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.8597 Soluble
216 V B 0.0000 Buried
217 T B -1.2735 Soluble
218 H B 0.0000 Buried
219 Q B -1.6891 Soluble
220 G B -0.4491 Soluble
221 L B -0.2639 Soluble
222 S B -0.4749 Soluble
223 S B -0.4497 Soluble
224 P B -0.5909 Soluble
225 V B -0.0169 Soluble
226 T B -0.5689 Soluble
227 K B -0.9379 Soluble
228 S B -1.1289 Soluble
229 F B 0.0000 Buried
230 N B -2.7222 Soluble
231 R B -3.4822 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.763 5.2575 CSV PDB
4.5 -0.8048 5.2575 CSV PDB
5.0 -0.8518 5.2575 CSV PDB
5.5 -0.8941 5.2575 CSV PDB
6.0 -0.9205 5.2575 CSV PDB
6.5 -0.922 5.2575 CSV PDB
7.0 -0.8992 5.2575 CSV PDB
7.5 -0.8607 5.2575 CSV PDB
8.0 -0.8136 5.2575 CSV PDB
8.5 -0.7597 5.2575 CSV PDB
9.0 -0.6987 5.2575 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH