Motavizumab / 3ixt

A4DAB172_3ixt_A_B | Source PDB: 3ixt | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7011
Max Score
2.7432
Min Score
-3.8584
Total Score
-295.88
Score CDR
-0.2702
Score non-CDR
-0.7539

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.8584
Maximum Score 2.7432
Average Score -0.7011
Total Score -295.8789

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

Index Residue Chain A4D Score Classification
1 Q A -1.2270 Soluble
2 V A -0.6155 Soluble
3 T A -0.9017 Soluble
4 L A 0.0000 Buried
5 R A -2.2212 Soluble
6 E A 0.0000 Buried
7 S A -0.6556 Soluble
8 G A -0.2962 Soluble
9 P A -0.3662 Soluble
11 A A -0.4102 Soluble
12 L A -0.2859 Soluble
13 V A 0.0000 Buried
14 K A -2.3907 Soluble
15 P A -2.0792 Soluble
16 T A -2.0168 Soluble
17 Q A -2.2544 Soluble
18 T A -1.6338 Soluble
19 L A 0.0000 Buried
20 T A -0.5617 Soluble
21 L A 0.0000 Buried
22 T A -0.4941 Soluble
23 C A 0.0000 Buried
24 T A -1.2009 Soluble
25 F A 0.0000 Buried
26 S A -0.9683 Soluble
27 G A -0.7621 Soluble
28 F A -0.2829 Soluble
29 S A -0.3937 Soluble
30 L A 0.0000 Buried
31 S A -0.6206 Soluble
34 T A -0.1083 Soluble
35 A A 0.1605 Aggregation-prone
36 G A 0.0000 Buried
37 M A 0.6916 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 -0.8638 Soluble
45 P A 0.0000 Buried
46 P A -1.0574 Soluble
47 G A -1.4468 Soluble
48 K A -2.1866 Soluble
49 A A -1.2542 Soluble
50 L A 0.0000 Buried
51 E A -0.7552 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 -1.1641 Soluble
59 D A -2.2237 Soluble
63 D A -3.2188 Soluble
64 K A -3.1554 Soluble
65 K A -2.4315 Soluble
66 H A -0.8595 Soluble
67 Y A -0.4956 Soluble
68 N A 0.0000 Buried
69 P A -1.0646 Soluble
70 S A -0.8511 Soluble
71 L A 0.0000 Buried
72 K A -2.0133 Soluble
74 D A -2.4148 Soluble
75 R A -1.9476 Soluble
76 L A 0.0000 Buried
77 T A -0.9041 Soluble
78 I A 0.0000 Buried
79 S A -1.0806 Soluble
80 K A -1.2458 Soluble
81 D A -1.5534 Soluble
82 T A -1.2912 Soluble
83 S A -1.4871 Soluble
84 K A -2.3031 Soluble
85 N A -1.6541 Soluble
86 Q A -1.4735 Soluble
87 V A 0.0000 Buried
88 V A -0.1244 Soluble
89 L A 0.0000 Buried
90 K A -1.0077 Soluble
91 V A 0.0000 Buried
92 T A -1.8427 Soluble
93 N A -2.3037 Soluble
94 M A 0.0000 Buried
95 D A -2.3281 Soluble
96 P A -1.2163 Soluble
97 A A -0.6141 Soluble
98 D A 0.0000 Buried
99 T A -0.4218 Soluble
100 A A 0.0000 Buried
101 T A -0.3209 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 1.6266 Aggregation-prone
109 I A 2.5958 Aggregation-prone
110 F A 2.7432 Aggregation-prone
112 N A 1.5272 Aggregation-prone
113 F A 1.3181 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.5356 Soluble
117 V A -0.4588 Soluble
118 W A -0.7005 Soluble
119 G A 0.0000 Buried
120 Q A -2.0544 Soluble
121 G A 0.0000 Buried
122 T A -0.6705 Soluble
123 T A -0.3228 Soluble
124 V A 0.0000 Buried
125 T A -0.5300 Soluble
126 V A 0.0000 Buried
127 S A -0.9525 Soluble
128 S A -0.8076 Soluble
129 A A -0.5574 Soluble
130 S A -0.6999 Soluble
131 T A -0.7556 Soluble
132 K A -1.3720 Soluble
133 G A -1.5606 Soluble
134 P A -0.7132 Soluble
135 S A -0.5278 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2269 Soluble
139 L A 0.0000 Buried
140 A A -0.8412 Soluble
141 P A -0.5148 Soluble
142 T A -0.2917 Soluble
143 A A -0.1449 Soluble
144 A A 0.0000 Buried
145 L A 0.0000 Buried
146 G A 0.0000 Buried
147 C A 0.0000 Buried
148 L A 0.0000 Buried
149 V A 0.0000 Buried
150 K A 0.0000 Buried
151 D A -0.5932 Soluble
152 Y A 0.0000 Buried
153 F A 0.0000 Buried
154 P A 0.0000 Buried
155 E A -0.6314 Soluble
156 P A -0.6609 Soluble
157 V A -0.5675 Soluble
158 T A -0.4790 Soluble
159 V A -0.1285 Soluble
160 S A -0.3882 Soluble
161 W A 0.0000 Buried
162 N A -0.8351 Soluble
163 S A -0.6928 Soluble
164 G A -0.4783 Soluble
165 A A -0.2295 Soluble
166 L A 0.0240 Aggregation-prone
167 T A -0.1509 Soluble
168 S A -0.1853 Soluble
169 G A -0.1692 Soluble
170 V A 0.1829 Aggregation-prone
171 H A -0.3130 Soluble
172 T A -0.2110 Soluble
173 F A 0.0000 Buried
174 P A -0.3949 Soluble
175 A A 0.2374 Aggregation-prone
176 V A 0.5046 Aggregation-prone
177 L A 1.2758 Aggregation-prone
178 Q A 0.2126 Aggregation-prone
179 S A -0.0666 Soluble
180 S A -0.2511 Soluble
181 G A -0.0187 Soluble
182 L A 0.0726 Aggregation-prone
183 Y A 0.4423 Aggregation-prone
184 S A 0.0000 Buried
185 L A 0.0000 Buried
186 S A 0.0000 Buried
187 S A 0.0000 Buried
188 V A 0.0000 Buried
189 V A 0.0000 Buried
190 T A -0.1435 Soluble
191 V A 0.0000 Buried
192 P A -0.5047 Soluble
193 S A -0.4569 Soluble
194 S A -0.5410 Soluble
195 S A -0.6000 Soluble
196 L A -0.8273 Soluble
197 G A -1.1439 Soluble
198 T A -0.8964 Soluble
199 Q A -1.3027 Soluble
200 T A -1.1703 Soluble
201 Y A 0.0000 Buried
202 I A -1.2377 Soluble
203 C A 0.0000 Buried
204 N A -1.4560 Soluble
205 V A 0.0000 Buried
206 N A -1.6836 Soluble
207 H A 0.0000 Buried
208 K A -2.7276 Soluble
209 P A -1.5573 Soluble
210 S A -1.8494 Soluble
211 N A -2.5158 Soluble
212 T A -2.0762 Soluble
213 K A -2.6101 Soluble
214 V A -1.5520 Soluble
215 D A -2.5082 Soluble
216 K A -1.9563 Soluble
217 K A -2.5292 Soluble
218 V A 0.0000 Buried
219 E A -2.5191 Soluble
220 P A -1.2062 Soluble
1 D B -1.9294 Soluble
2 I B -1.5266 Soluble
3 Q B -1.6954 Soluble
4 M B 0.0000 Buried
5 T B -0.8167 Soluble
6 Q B 0.0000 Buried
7 S B -0.5229 Soluble
8 P B -0.5089 Soluble
9 S B -0.7067 Soluble
10 T B -0.6517 Soluble
11 L B -0.4986 Soluble
12 S B -0.7620 Soluble
13 A B 0.0000 Buried
14 S B -1.0909 Soluble
15 V B -0.4799 Soluble
16 G B -0.9347 Soluble
17 D B -1.9723 Soluble
18 R B -2.3773 Soluble
19 V B 0.0000 Buried
20 T B -0.5980 Soluble
21 I B 0.0000 Buried
22 T B -0.5904 Soluble
23 C B 0.0000 Buried
24 S B -1.4144 Soluble
25 A B 0.0000 Buried
26 S B -1.4898 Soluble
27 S B -1.7886 Soluble
28 R B -2.2562 Soluble
29 V B 0.0000 Buried
37 G B -0.5418 Soluble
38 Y B 0.4104 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 0.0000 Buried
45 K B -1.6697 Soluble
46 P B -1.3992 Soluble
47 G B -1.7663 Soluble
48 K B -2.5209 Soluble
49 A B -1.6879 Soluble
50 P B 0.0000 Buried
51 K B -1.7410 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.4746 Soluble
56 D B -0.7427 Soluble
57 T B -0.5991 Soluble
65 S B -1.0485 Soluble
66 K B -1.7442 Soluble
67 L B -0.5840 Soluble
68 A B -0.6489 Soluble
69 S B -0.5095 Soluble
70 G B -0.4603 Soluble
71 V B -0.3359 Soluble
72 P B -0.3797 Soluble
74 S B -0.4334 Soluble
75 R B -0.8287 Soluble
76 F B 0.0000 Buried
77 S B -0.6188 Soluble
78 G B -0.7206 Soluble
79 S B -0.9159 Soluble
80 G B -1.0420 Soluble
83 S B -1.1737 Soluble
84 G B -1.4754 Soluble
85 T B -1.7716 Soluble
86 E B -2.4084 Soluble
87 F B 0.0000 Buried
88 T B -0.6932 Soluble
89 L B 0.0000 Buried
90 T B -0.6066 Soluble
91 I B 0.0000 Buried
92 S B -1.4118 Soluble
93 S B -1.2373 Soluble
94 L B 0.0000 Buried
95 Q B -1.4614 Soluble
96 P B -2.0870 Soluble
97 D B -2.5566 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 T B -0.6829 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 0.2483 Aggregation-prone
108 S B -0.1600 Soluble
109 G B -0.4212 Soluble
114 Y B 0.0860 Aggregation-prone
115 P B -0.3424 Soluble
116 F B 0.0000 Buried
117 T B -0.5797 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -1.1617 Soluble
121 G B -0.8902 Soluble
122 T B 0.0000 Buried
123 K B -1.3494 Soluble
124 V B 0.0000 Buried
125 E B -1.3150 Soluble
126 I B 0.0000 Buried
127 K B -1.5107 Soluble
128 R B -0.8228 Soluble
129 T B 0.1259 Aggregation-prone
130 V B 0.9657 Aggregation-prone
131 A B 0.2676 Aggregation-prone
132 A B 0.0165 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.1315 Soluble
135 V B 0.0000 Buried
136 F B 0.1671 Aggregation-prone
137 I B 0.1867 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.7104 Soluble
140 P B 0.0000 Buried
141 S B -1.6136 Soluble
142 D B -2.9286 Soluble
143 E B -2.9616 Soluble
144 Q B 0.0000 Buried
145 L B -2.2725 Soluble
146 K B -2.8392 Soluble
147 S B -1.7952 Soluble
148 G B -1.3316 Soluble
149 T B -1.1189 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 -0.8564 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.6524 Soluble
162 R B -2.8948 Soluble
163 E B -3.2981 Soluble
164 A B -2.3262 Soluble
165 K B -2.3034 Soluble
166 V B -1.1882 Soluble
167 Q B -0.8745 Soluble
168 W B 0.0000 Buried
169 K B -0.7009 Soluble
170 V B 0.0000 Buried
171 D B -1.7925 Soluble
172 N B -1.3939 Soluble
173 A B -0.3574 Soluble
174 L B 0.4459 Aggregation-prone
175 Q B -0.2522 Soluble
176 S B -0.5090 Soluble
177 G B -0.9578 Soluble
178 N B -0.8892 Soluble
179 S B -1.3910 Soluble
180 Q B -1.7795 Soluble
181 E B -2.1421 Soluble
182 S B 0.0000 Buried
183 V B -0.8747 Soluble
184 T B -1.1724 Soluble
185 E B -2.2666 Soluble
186 Q B 0.0000 Buried
187 D B -2.0971 Soluble
188 S B -2.4390 Soluble
189 K B -2.7765 Soluble
190 D B -2.0999 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 -0.8047 Soluble
199 L B 0.0000 Buried
200 T B -0.5546 Soluble
201 L B -0.8117 Soluble
202 S B -1.3832 Soluble
203 K B -2.2418 Soluble
204 A B -2.1074 Soluble
205 D B -2.9810 Soluble
206 Y B 0.0000 Buried
207 E B -3.8584 Soluble
208 K B -3.8584 Soluble
209 H B -3.3220 Soluble
210 K B -3.4169 Soluble
211 V B -1.8939 Soluble
212 Y B 0.0000 Buried
213 A B -0.9521 Soluble
214 C B 0.0000 Buried
215 E B -0.8361 Soluble
216 V B 0.0000 Buried
217 T B -1.2478 Soluble
218 H B 0.0000 Buried
219 Q B -1.6654 Soluble
220 G B -0.2457 Soluble
221 L B -0.1957 Soluble
222 S B -0.4663 Soluble
223 S B -0.4154 Soluble
224 P B -0.5197 Soluble
225 V B 0.0275 Aggregation-prone
226 T B -0.4950 Soluble
227 K B -0.7105 Soluble
228 S B -0.8003 Soluble
229 F B -1.1312 Soluble
230 N B -2.4985 Soluble
231 R B -3.3164 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
Load structure at specific pH condition
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 -0.7134 5.4926 CSV PDB
4.5 -0.7578 5.4926 CSV PDB
5.0 -0.8087 5.4926 CSV PDB
5.5 -0.8563 5.4926 CSV PDB
6.0 -0.8893 5.4926 CSV PDB
6.5 -0.8989 5.4926 CSV PDB
7.0 -0.8847 5.4926 CSV PDB
7.5 -0.8543 5.4926 CSV PDB
8.0 -0.8147 5.4926 CSV PDB
8.5 -0.7675 5.4926 CSV PDB
9.0 -0.7119 5.4926 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH