Motavizumab / 5k8a

A4DAB172_5k8a_B_A | Source PDB: 5k8a | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7178
Max Score
2.2209
Min Score
-3.3679
Total Score
-312.25
Score CDR
-0.353
Score non-CDR
-0.761

Calculation Parameters

Chain Sequence(s) VTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.3679
Maximum Score 2.2209
Average Score -0.7178
Total Score -312.2539

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

Index Residue Chain A4D Score Classification
2 V B 0.9481 Aggregation-prone
3 T B 0.0349 Aggregation-prone
4 L B 0.0000 Buried
5 R B -1.6965 Soluble
6 E B 0.0000 Buried
7 S B -0.6197 Soluble
8 G B -0.3046 Soluble
9 P B -0.1862 Soluble
11 A B -0.3818 Soluble
12 L B -0.2518 Soluble
13 V B 0.0000 Buried
14 K B -2.1851 Soluble
15 P B -1.9901 Soluble
16 T B -1.9107 Soluble
17 Q B -2.0294 Soluble
18 T B -1.5533 Soluble
19 L B 0.0000 Buried
20 T B -0.5653 Soluble
21 L B 0.0000 Buried
22 T B -0.4513 Soluble
23 C B 0.0000 Buried
24 T B -1.0480 Soluble
25 F B 0.0000 Buried
26 S B -0.2563 Soluble
27 G B -0.0649 Soluble
28 F B 0.0000 Buried
29 S B -0.4075 Soluble
30 L B 0.0000 Buried
31 S B -0.4242 Soluble
34 T B -0.1041 Soluble
35 A B 0.0616 Aggregation-prone
36 G B 0.0000 Buried
37 M B 0.4567 Aggregation-prone
38 S B 0.0000 Buried
39 V B 0.0000 Buried
40 G B 0.0000 Buried
41 W B 0.0000 Buried
42 I B 0.0000 Buried
43 R B -0.7847 Soluble
44 Q B -1.0657 Soluble
45 P B -1.0398 Soluble
46 P B -1.0828 Soluble
47 G B -1.4444 Soluble
48 K B -2.2495 Soluble
49 A B -1.3472 Soluble
50 L B 0.0000 Buried
51 E B -1.2102 Soluble
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 A B 0.0000 Buried
55 D B 0.0000 Buried
56 I B 0.0000 Buried
57 W B 0.0000 Buried
58 W B -1.0041 Soluble
59 D B -2.0440 Soluble
63 D B -3.0206 Soluble
64 K B -3.0789 Soluble
65 K B -2.1361 Soluble
66 H B -1.1414 Soluble
67 Y B -0.7904 Soluble
68 N B 0.0000 Buried
69 P B -1.2971 Soluble
70 S B -1.0509 Soluble
71 L B 0.0000 Buried
72 K B -2.7292 Soluble
74 D B -2.8091 Soluble
75 R B -2.2411 Soluble
76 L B 0.0000 Buried
77 T B -1.0745 Soluble
78 I B 0.0000 Buried
79 S B -1.0379 Soluble
80 K B -1.3392 Soluble
81 D B -1.7150 Soluble
82 T B -1.4154 Soluble
83 S B -1.5401 Soluble
84 K B -2.4083 Soluble
85 N B -1.8253 Soluble
86 Q B -1.5191 Soluble
87 V B 0.0000 Buried
88 V B -0.1774 Soluble
89 L B 0.0000 Buried
90 K B -1.1695 Soluble
91 V B 0.0000 Buried
92 T B -1.7391 Soluble
93 N B -2.3657 Soluble
94 M B 0.0000 Buried
95 D B -2.4911 Soluble
96 P B -1.2327 Soluble
97 A B -0.6099 Soluble
98 D B 0.0000 Buried
99 T B -0.4536 Soluble
100 A B 0.0000 Buried
101 T B -0.3267 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.1361 Aggregation-prone
107 D B 0.0000 Buried
108 M B 1.0345 Aggregation-prone
109 I B 1.6576 Aggregation-prone
110 F B 2.2209 Aggregation-prone
112 N B 0.7446 Aggregation-prone
113 F B 0.8474 Aggregation-prone
114 Y B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.4161 Soluble
117 V B 0.0744 Aggregation-prone
118 W B -0.4316 Soluble
119 G B 0.0000 Buried
120 Q B -1.8712 Soluble
121 G B 0.0000 Buried
122 T B -0.6165 Soluble
123 T B -0.3718 Soluble
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -0.9267 Soluble
128 S B -0.7309 Soluble
129 A B -0.4877 Soluble
130 S B -0.6304 Soluble
131 T B -0.7736 Soluble
132 K B -1.2634 Soluble
133 G B -1.3871 Soluble
134 P B 0.0000 Buried
135 S B -0.2204 Soluble
136 V B -0.2537 Soluble
137 F B 0.0000 Buried
138 P B -0.9113 Soluble
139 L B 0.0000 Buried
140 A B -1.1880 Soluble
141 P B 0.0000 Buried
142 S B -0.9342 Soluble
143 S B -1.0263 Soluble
144 K B -1.2413 Soluble
145 S B 0.0000 Buried
146 T B -0.7151 Soluble
147 S B -0.7471 Soluble
148 G B -0.8620 Soluble
149 G B -0.9149 Soluble
150 T B -0.6260 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.3213 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.4620 Soluble
164 P B -0.7568 Soluble
165 V B -0.7596 Soluble
166 T B -0.7224 Soluble
167 V B -0.2628 Soluble
168 S B -0.3806 Soluble
169 W B 0.0000 Buried
170 N B -0.6466 Soluble
171 S B -0.5583 Soluble
172 G B -0.4126 Soluble
173 A B -0.1702 Soluble
174 L B 0.0988 Aggregation-prone
175 T B -0.1126 Soluble
176 S B -0.1531 Soluble
177 G B -0.1679 Soluble
178 V B 0.2089 Aggregation-prone
179 H B -0.2823 Soluble
180 T B -0.1657 Soluble
181 F B 0.0000 Buried
182 P B -0.2993 Soluble
183 A B 0.3835 Aggregation-prone
184 V B 0.5097 Aggregation-prone
185 L B 1.0377 Aggregation-prone
186 Q B 0.1784 Aggregation-prone
187 S B -0.1929 Soluble
188 S B -0.2120 Soluble
189 G B 0.0631 Aggregation-prone
190 L B 0.1834 Aggregation-prone
191 Y B 0.4427 Aggregation-prone
192 S B 0.3107 Aggregation-prone
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1292 Soluble
199 V B 0.0000 Buried
200 P B -0.6401 Soluble
201 S B -0.6297 Soluble
202 S B -0.5920 Soluble
203 S B -0.6099 Soluble
204 L B -0.6855 Soluble
205 G B -0.8795 Soluble
206 T B -0.6636 Soluble
207 Q B -1.0775 Soluble
208 T B -0.9992 Soluble
209 Y B 0.0000 Buried
210 I B -1.1703 Soluble
211 C B 0.0000 Buried
212 N B -1.4868 Soluble
213 V B 0.0000 Buried
214 N B -2.3298 Soluble
215 H B 0.0000 Buried
216 K B -2.8269 Soluble
217 P B -1.6157 Soluble
218 S B -1.9050 Soluble
219 N B -2.6512 Soluble
220 T B -2.1975 Soluble
221 K B -2.8508 Soluble
222 V B -1.6143 Soluble
223 D B -2.4014 Soluble
224 K B -2.1138 Soluble
225 R B -2.5254 Soluble
226 V B 0.0000 Buried
227 E B -2.5471 Soluble
228 P B -1.6833 Soluble
229 K B -1.9079 Soluble
230 S B -0.8786 Soluble
231 C B 0.0934 Aggregation-prone
1 D A -1.8974 Soluble
2 I A -1.3736 Soluble
3 Q A -1.6092 Soluble
4 M A 0.0000 Buried
5 T A -0.5786 Soluble
6 Q A 0.0000 Buried
7 S A -0.3893 Soluble
8 P A -0.5472 Soluble
9 S A -0.8400 Soluble
10 T A -0.9788 Soluble
11 L A -0.8494 Soluble
12 S A -1.0856 Soluble
13 A A -1.1646 Soluble
14 S A -1.0572 Soluble
15 V A -0.3624 Soluble
16 G A -1.0019 Soluble
17 D A -2.0485 Soluble
18 R A -2.4063 Soluble
19 V A 0.0000 Buried
20 T A -0.6171 Soluble
21 I A 0.0000 Buried
22 T A -0.5896 Soluble
23 C A 0.0000 Buried
24 S A -1.2578 Soluble
25 A A -1.3907 Soluble
26 S A -1.4280 Soluble
27 S A -1.7582 Soluble
28 R A -2.2729 Soluble
29 V A 0.0000 Buried
37 G A -1.2981 Soluble
38 Y A -0.6684 Soluble
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.2891 Soluble
45 K A -1.7242 Soluble
46 P A -1.3405 Soluble
47 G A -1.7394 Soluble
48 K A -2.5012 Soluble
49 A A -1.6477 Soluble
50 P A 0.0000 Buried
51 K A -1.6221 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A -0.8867 Soluble
56 D A -1.6680 Soluble
57 T A -1.0744 Soluble
65 S A -1.2206 Soluble
66 K A -1.8020 Soluble
67 L A -0.5124 Soluble
68 A A -0.4844 Soluble
69 S A -0.4913 Soluble
70 G A -0.4523 Soluble
71 V A -0.4390 Soluble
72 P A -0.3526 Soluble
74 S A -0.4023 Soluble
75 R A -0.7747 Soluble
76 F A 0.0000 Buried
77 S A -0.5165 Soluble
78 G A 0.0000 Buried
79 S A -1.0132 Soluble
80 G A -1.0346 Soluble
83 S A -1.2529 Soluble
84 G A -1.5597 Soluble
85 T A -1.8133 Soluble
86 E A -2.3266 Soluble
87 F A 0.0000 Buried
88 T A -0.6645 Soluble
89 L A 0.0000 Buried
90 T A -0.5671 Soluble
91 I A 0.0000 Buried
92 S A -1.3660 Soluble
93 S A -1.2592 Soluble
94 L A 0.0000 Buried
95 Q A -1.2868 Soluble
96 P A -2.0323 Soluble
97 D A -2.5909 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 A A 0.0000 Buried
101 T A -1.0143 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 F A 0.0000 Buried
106 Q A 0.0000 Buried
107 G A 0.0000 Buried
108 S A -0.0963 Soluble
109 G A -0.0286 Soluble
114 Y A 0.1923 Aggregation-prone
115 P A -0.3042 Soluble
116 F A 0.0000 Buried
117 T A -0.5724 Soluble
118 F A -0.3326 Soluble
119 G A 0.0000 Buried
120 G A -1.0158 Soluble
121 G A -1.0070 Soluble
122 T A 0.0000 Buried
123 K A -2.0162 Soluble
124 V A 0.0000 Buried
125 E A -2.1208 Soluble
126 I A 0.0000 Buried
127 K A -1.2585 Soluble
128 R A -0.7295 Soluble
129 T A 0.1965 Aggregation-prone
130 V A 0.8982 Aggregation-prone
131 A A 0.4195 Aggregation-prone
132 A A 0.0660 Aggregation-prone
133 P A 0.0000 Buried
134 S A -0.1133 Soluble
135 V A -0.1853 Soluble
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.9851 Soluble
140 P A -0.7511 Soluble
141 S A -1.4059 Soluble
142 D A -2.6017 Soluble
143 E A -2.2736 Soluble
144 Q A 0.0000 Buried
145 L A -1.9902 Soluble
146 K A -2.6527 Soluble
147 S A -1.6970 Soluble
148 G A -1.2765 Soluble
149 T A -1.0698 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.8229 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.6079 Soluble
162 R A -3.0499 Soluble
163 E A -3.2329 Soluble
164 A A -2.3836 Soluble
165 K A -2.7547 Soluble
166 V A 0.0000 Buried
167 Q A -1.0061 Soluble
168 W A 0.0000 Buried
169 K A -0.6766 Soluble
170 V A 0.0000 Buried
171 D A -1.5630 Soluble
172 N A -1.3924 Soluble
173 A A -0.2726 Soluble
174 L A 0.4547 Aggregation-prone
175 Q A -0.5014 Soluble
176 S A -0.7174 Soluble
177 G A -1.2851 Soluble
178 N A -1.5719 Soluble
179 S A -1.5795 Soluble
180 Q A -1.7959 Soluble
181 E A -1.7661 Soluble
182 S A -0.8169 Soluble
183 V A -0.8672 Soluble
184 T A -1.0923 Soluble
185 E A -2.1778 Soluble
186 Q A 0.0000 Buried
187 D A -2.1957 Soluble
188 S A -2.3854 Soluble
189 K A -2.6996 Soluble
190 D A -1.8998 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.7669 Soluble
199 L A 0.0000 Buried
200 T A -0.7196 Soluble
201 L A -0.8340 Soluble
202 S A -1.1683 Soluble
203 K A -2.1385 Soluble
204 A A -1.9347 Soluble
205 D A -2.7831 Soluble
206 Y A 0.0000 Buried
207 E A -3.1306 Soluble
208 K A -3.3679 Soluble
209 H A -2.7356 Soluble
210 K A -3.0002 Soluble
211 V A -1.6902 Soluble
212 Y A 0.0000 Buried
213 A A -0.7294 Soluble
214 C A 0.0000 Buried
215 E A -1.0678 Soluble
216 V A 0.0000 Buried
217 T A -1.3451 Soluble
218 H A 0.0000 Buried
219 Q A -1.6087 Soluble
220 G A -0.2260 Soluble
221 L A -0.1511 Soluble
222 S A -0.4580 Soluble
223 S A -0.4415 Soluble
224 P A -0.6519 Soluble
225 V A -0.1007 Soluble
226 T A -0.5317 Soluble
227 K A -0.7672 Soluble
228 S A -0.7985 Soluble
229 F A 0.0000 Buried
230 N A -2.4146 Soluble
231 R A -2.4652 Soluble
232 G A -1.8493 Soluble
233 E A -2.2055 Soluble
234 C A -0.6973 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 -0.7376 4.8636 CSV PDB
4.5 -0.7821 4.8636 CSV PDB
5.0 -0.8331 4.8636 CSV PDB
5.5 -0.8803 4.8636 CSV PDB
6.0 -0.9118 4.8636 CSV PDB
6.5 -0.9188 4.8636 CSV PDB
7.0 -0.9016 4.8636 CSV PDB
7.5 -0.8687 4.8636 CSV PDB
8.0 -0.827 4.8636 CSV PDB
8.5 -0.7785 4.8636 CSV PDB
9.0 -0.7224 4.8636 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH