Motavizumab / 4jlr

A4DAB172_4jlr_A_B | Source PDB: 4jlr | Chains: A, B | Done
99.12
Yes
10 Å
Yes
Avg A4D Score
-0.6827
Max Score
2.726
Min Score
-3.8886
Total Score
-290.15
Score CDR
-0.2608
Score non-CDR
-0.7339

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSANQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTAFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.8886
Maximum Score 2.726
Average Score -0.6827
Total Score -290.1537

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

Index Residue Chain A4D Score Classification
1 Q A -1.2491 Soluble
2 V A -0.4873 Soluble
3 T A -0.8258 Soluble
4 L A 0.0000 Buried
5 R A -2.2230 Soluble
6 E A 0.0000 Buried
7 S A -0.7260 Soluble
8 G A -0.4460 Soluble
9 P A -0.4481 Soluble
11 A A -0.4380 Soluble
12 L A -0.2893 Soluble
13 V A 0.0000 Buried
14 K A -1.9639 Soluble
15 P A -1.7464 Soluble
16 T A -1.7124 Soluble
17 Q A -1.8827 Soluble
18 T A -1.4687 Soluble
19 L A 0.0000 Buried
20 T A -0.5908 Soluble
21 L A 0.0000 Buried
22 T A -0.6336 Soluble
23 C A 0.0000 Buried
24 T A -1.0834 Soluble
25 F A 0.0000 Buried
26 S A -0.8859 Soluble
27 G A -0.8102 Soluble
28 F A -0.3211 Soluble
29 S A -0.2688 Soluble
30 L A 0.0000 Buried
31 S A -0.6906 Soluble
34 T A -0.1003 Soluble
35 A A 0.1534 Aggregation-prone
36 G A 0.0000 Buried
37 M A 0.7266 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 -0.7261 Soluble
44 Q A -1.0332 Soluble
45 P A -1.0486 Soluble
46 P A -1.0692 Soluble
47 G A -1.4529 Soluble
48 K A -2.2350 Soluble
49 A A -1.3714 Soluble
50 L A 0.0000 Buried
51 E A -1.1993 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 -1.2294 Soluble
59 D A -2.4029 Soluble
63 D A -3.3581 Soluble
64 K A -3.3236 Soluble
65 K A -2.3204 Soluble
66 H A -0.8765 Soluble
67 Y A -0.3440 Soluble
68 N A 0.0000 Buried
69 P A -1.4499 Soluble
70 S A -1.1632 Soluble
71 L A 0.0000 Buried
72 K A -2.7512 Soluble
74 D A -2.7872 Soluble
75 R A -2.1826 Soluble
76 L A 0.0000 Buried
77 T A -0.7958 Soluble
78 I A 0.0000 Buried
79 S A -1.2557 Soluble
80 K A -1.4246 Soluble
81 D A -1.8913 Soluble
82 T A -1.1841 Soluble
83 S A -0.9270 Soluble
84 A A -0.8770 Soluble
85 N A -1.0957 Soluble
86 Q A -1.3518 Soluble
87 V A 0.0000 Buried
88 V A -0.3709 Soluble
89 L A 0.0000 Buried
90 K A -1.1847 Soluble
91 V A 0.0000 Buried
92 T A -1.6801 Soluble
93 N A -2.2056 Soluble
94 M A 0.0000 Buried
95 D A -1.8843 Soluble
96 P A -0.9693 Soluble
97 A A -0.4212 Soluble
98 D A 0.0000 Buried
99 T A -0.3495 Soluble
100 A A 0.0000 Buried
101 T A -0.3777 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 1.6586 Aggregation-prone
109 I A 2.5663 Aggregation-prone
110 F A 2.7260 Aggregation-prone
112 N A 1.3945 Aggregation-prone
113 F A 1.3248 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.4044 Soluble
117 V A -0.1206 Soluble
118 W A -0.7905 Soluble
119 G A 0.0000 Buried
120 Q A -2.0082 Soluble
121 G A 0.0000 Buried
122 T A -0.7022 Soluble
123 T A -0.4066 Soluble
124 V A 0.0000 Buried
125 T A -0.4476 Soluble
126 V A 0.0000 Buried
127 S A -0.8290 Soluble
128 S A -0.6887 Soluble
129 A A -0.5172 Soluble
130 S A -0.6554 Soluble
131 T A -0.8774 Soluble
132 K A -1.4858 Soluble
133 G A -1.5872 Soluble
134 P A -0.8339 Soluble
135 S A -0.3670 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.0611 Soluble
139 L A 0.0000 Buried
140 A A -0.8107 Soluble
141 P A 0.0000 Buried
142 S A -0.5377 Soluble
143 S A -0.3814 Soluble
144 G A -0.6446 Soluble
145 T A -0.5141 Soluble
146 A A -0.3027 Soluble
147 A A 0.0000 Buried
148 L A 0.0000 Buried
149 G A 0.0000 Buried
150 C A 0.0000 Buried
151 L A 0.0000 Buried
152 V A 0.0000 Buried
153 K A 0.0000 Buried
154 D A -0.8200 Soluble
155 Y A 0.0000 Buried
156 F A 0.0000 Buried
157 P A 0.0000 Buried
158 E A -0.5752 Soluble
159 P A -0.7485 Soluble
160 V A -0.7565 Soluble
161 T A -0.6920 Soluble
162 V A -0.4185 Soluble
163 S A -0.4133 Soluble
164 W A 0.0000 Buried
165 N A -0.7082 Soluble
166 S A -0.6270 Soluble
167 G A -0.5436 Soluble
168 A A -0.2500 Soluble
169 L A -0.0082 Soluble
170 T A -0.1645 Soluble
171 S A -0.1770 Soluble
172 G A -0.1778 Soluble
173 V A 0.1832 Aggregation-prone
174 H A -0.3555 Soluble
175 T A 0.0051 Aggregation-prone
176 F A 0.0000 Buried
177 P A -0.3177 Soluble
178 A A 0.3799 Aggregation-prone
179 V A 0.4916 Aggregation-prone
180 L A 0.9030 Aggregation-prone
181 Q A 0.1057 Aggregation-prone
182 S A -0.1296 Soluble
183 S A -0.3189 Soluble
184 G A -0.0747 Soluble
185 L A -0.0825 Soluble
186 Y A 0.2467 Aggregation-prone
187 S A 0.0000 Buried
188 L A 0.0000 Buried
189 S A 0.0000 Buried
190 S A 0.0000 Buried
191 V A 0.0000 Buried
192 V A 0.0000 Buried
193 T A -0.1354 Soluble
194 V A 0.0000 Buried
195 P A -0.5012 Soluble
196 S A -0.5971 Soluble
197 S A -0.6083 Soluble
198 S A -0.5900 Soluble
199 L A -0.8617 Soluble
200 G A -1.0673 Soluble
201 T A -0.6929 Soluble
202 Q A -1.1875 Soluble
203 T A -0.9720 Soluble
204 Y A 0.0000 Buried
205 I A -0.8356 Soluble
206 C A 0.0000 Buried
207 N A -1.3760 Soluble
208 V A 0.0000 Buried
209 N A -2.2344 Soluble
210 H A 0.0000 Buried
211 K A -2.8772 Soluble
212 P A -1.6829 Soluble
213 S A -1.9441 Soluble
214 N A -2.7339 Soluble
215 T A -2.2189 Soluble
216 K A -2.7598 Soluble
217 V A -1.4644 Soluble
218 D A -2.1390 Soluble
219 K A -1.7949 Soluble
220 K A -1.9745 Soluble
221 V A 0.0000 Buried
222 E A -2.3679 Soluble
223 P A -1.2623 Soluble
1 D B -1.9785 Soluble
2 I B -1.5748 Soluble
3 Q B -1.6710 Soluble
4 M B -0.8437 Soluble
5 T B -0.5219 Soluble
6 Q B 0.0000 Buried
7 S B -0.3541 Soluble
8 P B -0.4564 Soluble
9 S B -0.6143 Soluble
10 T B -0.5705 Soluble
11 L B -0.4466 Soluble
12 S B -0.7875 Soluble
13 A B -0.8360 Soluble
14 S B -0.7865 Soluble
15 V B -0.0643 Soluble
16 G B -0.7224 Soluble
17 D B -1.4974 Soluble
18 R B -2.2103 Soluble
19 V B 0.0000 Buried
20 T B -0.5321 Soluble
21 I B 0.0000 Buried
22 T B -0.1911 Soluble
23 C B 0.0000 Buried
24 S B -0.5961 Soluble
25 A B -0.8348 Soluble
26 S B -1.2368 Soluble
27 S B -1.5887 Soluble
28 R B -1.9923 Soluble
29 V B 0.0000 Buried
37 G B -0.5214 Soluble
38 Y B 0.4985 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 -1.3001 Soluble
45 K B -1.7962 Soluble
46 P B -1.4392 Soluble
47 G B -1.5860 Soluble
48 K B -2.5719 Soluble
49 A B -1.7289 Soluble
50 P B 0.0000 Buried
51 K B -1.8321 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2650 Soluble
56 D B -0.4802 Soluble
57 T B -0.4275 Soluble
65 S B -0.8564 Soluble
66 K B -1.5128 Soluble
67 L B -0.1616 Soluble
68 A B -0.3625 Soluble
69 S B -0.3676 Soluble
70 G B -0.4087 Soluble
71 V B -0.2186 Soluble
72 P B -0.2362 Soluble
74 S B -0.3529 Soluble
75 R B -0.8311 Soluble
76 F B 0.0000 Buried
77 S B -0.5017 Soluble
78 G B -0.5839 Soluble
79 S B -0.5882 Soluble
80 G B -0.4324 Soluble
83 S B -0.6146 Soluble
84 G B -0.9883 Soluble
85 T B -0.7779 Soluble
86 A B -0.4921 Soluble
87 F B 0.0000 Buried
88 T B -0.2911 Soluble
89 L B 0.0000 Buried
90 T B -0.6226 Soluble
91 I B 0.0000 Buried
92 S B -1.3276 Soluble
93 S B -1.0752 Soluble
94 L B 0.0000 Buried
95 Q B -1.1658 Soluble
96 P B -1.8854 Soluble
97 D B -2.4597 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 T B -0.6431 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 -0.1430 Soluble
109 G B -0.5229 Soluble
114 Y B 0.0170 Aggregation-prone
115 P B -0.4498 Soluble
116 F B 0.0000 Buried
117 T B -0.7311 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -1.1315 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.1343 Soluble
124 V B 0.0000 Buried
125 E B -1.1372 Soluble
126 I B 0.0000 Buried
127 K B -1.1275 Soluble
128 R B -0.7336 Soluble
129 T B 0.0998 Aggregation-prone
130 V B 0.7945 Aggregation-prone
131 A B 0.3662 Aggregation-prone
132 A B 0.0462 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.1406 Soluble
135 V B 0.0000 Buried
136 F B -0.0598 Soluble
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.7926 Soluble
140 P B 0.0000 Buried
141 S B -1.6717 Soluble
142 D B -2.9903 Soluble
143 E B -2.9948 Soluble
144 Q B 0.0000 Buried
145 L B -2.4020 Soluble
146 K B -2.8656 Soluble
147 S B -1.8170 Soluble
148 G B -1.2064 Soluble
149 T B -0.9178 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 -0.9072 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.6217 Soluble
162 R B -2.7985 Soluble
163 E B -3.1946 Soluble
164 A B -2.3295 Soluble
165 K B -2.1775 Soluble
166 V B -1.3961 Soluble
167 Q B -1.0540 Soluble
168 W B 0.0000 Buried
169 K B -0.8641 Soluble
170 V B 0.0000 Buried
171 D B -1.6967 Soluble
172 N B -1.3887 Soluble
173 A B -0.3558 Soluble
174 L B 0.4040 Aggregation-prone
175 Q B -0.5326 Soluble
176 S B -0.8986 Soluble
177 G B -1.3633 Soluble
178 N B -1.7700 Soluble
179 S B -1.7075 Soluble
180 Q B -1.7877 Soluble
181 E B -2.0161 Soluble
182 S B -0.9121 Soluble
183 V B -0.9259 Soluble
184 T B -1.2454 Soluble
185 E B -2.2914 Soluble
186 Q B 0.0000 Buried
187 D B -2.4120 Soluble
188 S B -2.4601 Soluble
189 K B -2.7538 Soluble
190 D B -1.9604 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 -0.8590 Soluble
199 L B 0.0000 Buried
200 T B -0.7124 Soluble
201 L B -0.9199 Soluble
202 S B -1.1078 Soluble
203 K B -2.0983 Soluble
204 A B -1.9895 Soluble
205 D B -2.5879 Soluble
206 Y B 0.0000 Buried
207 E B -3.8886 Soluble
208 K B -3.7631 Soluble
209 H B -3.3245 Soluble
210 K B -3.2869 Soluble
211 V B -1.7354 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -1.0815 Soluble
216 V B 0.0000 Buried
217 T B -1.2534 Soluble
218 H B 0.0000 Buried
219 Q B -1.2839 Soluble
220 G B -0.2408 Soluble
221 L B -0.1441 Soluble
222 S B -0.4170 Soluble
223 S B -0.4531 Soluble
224 P B -0.5200 Soluble
225 V B 0.0547 Aggregation-prone
226 T B -0.5716 Soluble
227 K B -0.7870 Soluble
228 S B -0.7455 Soluble
229 F B -1.1153 Soluble
230 N B -2.4920 Soluble
231 R B -3.4413 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 -0.6946 5.4808 CSV PDB
4.5 -0.7382 5.4808 CSV PDB
5.0 -0.7877 5.4808 CSV PDB
5.5 -0.8339 5.4808 CSV PDB
6.0 -0.8663 5.4808 CSV PDB
6.5 -0.8765 5.4808 CSV PDB
7.0 -0.8641 5.4808 CSV PDB
7.5 -0.8369 5.4808 CSV PDB
8.0 -0.8011 5.4808 CSV PDB
8.5 -0.7578 5.4808 CSV PDB
9.0 -0.7062 5.4808 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH