Motavizumab / 5k8a

A4DAB172_5k8a_V_M | Source PDB: 5k8a | Chains: V, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.708
Max Score
2.3055
Min Score
-3.6165
Total Score
-307.99
Score CDR
-0.2624
Score non-CDR
-0.7607

Calculation Parameters

Chain Sequence(s) VTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) V (Heavy), M (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 -3.6165
Maximum Score 2.3055
Average Score -0.708
Total Score -307.9857

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

Index Residue Chain A4D Score Classification
2 V V 0.8788 Aggregation-prone
3 T V -0.1431 Soluble
4 L V 0.0000 Buried
5 R V -2.2644 Soluble
6 E V 0.0000 Buried
7 S V -0.7761 Soluble
8 G V -0.2698 Soluble
9 P V -0.1503 Soluble
11 A V -0.3432 Soluble
12 L V -0.1613 Soluble
13 V V 0.0000 Buried
14 K V -1.9082 Soluble
15 P V -1.6720 Soluble
16 T V -1.7534 Soluble
17 Q V -1.9854 Soluble
18 T V -1.4638 Soluble
19 L V 0.0000 Buried
20 T V -0.4969 Soluble
21 L V 0.0000 Buried
22 T V -0.5210 Soluble
23 C V 0.0000 Buried
24 T V -1.3590 Soluble
25 F V 0.0000 Buried
26 S V -0.6461 Soluble
27 G V -0.1211 Soluble
28 F V 0.0000 Buried
29 S V -0.3975 Soluble
30 L V 0.0000 Buried
31 S V -0.5808 Soluble
34 T V -0.0789 Soluble
35 A V 0.1016 Aggregation-prone
36 G V 0.0000 Buried
37 M V 0.4785 Aggregation-prone
38 S V 0.0000 Buried
39 V V 0.0000 Buried
40 G V 0.0000 Buried
41 W V 0.0000 Buried
42 I V 0.0000 Buried
43 R V 0.0000 Buried
44 Q V -0.9063 Soluble
45 P V -0.9536 Soluble
46 P V -1.0594 Soluble
47 G V -1.4479 Soluble
48 K V -2.1843 Soluble
49 A V -1.2494 Soluble
50 L V 0.0000 Buried
51 E V -0.7911 Soluble
52 W V 0.0000 Buried
53 L V 0.0000 Buried
54 A V 0.0000 Buried
55 D V 0.0000 Buried
56 I V 0.0000 Buried
57 W V 0.0000 Buried
58 W V -0.9575 Soluble
59 D V -2.0281 Soluble
63 D V -3.2132 Soluble
64 K V -3.2752 Soluble
65 K V -2.4881 Soluble
66 H V -1.3542 Soluble
67 Y V -0.8379 Soluble
68 N V 0.0000 Buried
69 P V -1.3038 Soluble
70 S V -0.9033 Soluble
71 L V -1.2688 Soluble
72 K V -2.4152 Soluble
74 D V -2.6333 Soluble
75 R V -2.0938 Soluble
76 L V 0.0000 Buried
77 T V -1.0238 Soluble
78 I V 0.0000 Buried
79 S V -1.1219 Soluble
80 K V -1.3733 Soluble
81 D V -1.8748 Soluble
82 T V -1.4809 Soluble
83 S V -1.5834 Soluble
84 K V -2.4655 Soluble
85 N V -1.8808 Soluble
86 Q V -1.7763 Soluble
87 V V 0.0000 Buried
88 V V -0.1823 Soluble
89 L V 0.0000 Buried
90 K V -0.9294 Soluble
91 V V 0.0000 Buried
92 T V -1.6461 Soluble
93 N V -2.0973 Soluble
94 M V 0.0000 Buried
95 D V -1.6837 Soluble
96 P V -0.8397 Soluble
97 A V -0.3425 Soluble
98 D V 0.0000 Buried
99 T V -0.2738 Soluble
100 A V 0.0000 Buried
101 T V -0.3374 Soluble
102 Y V 0.0000 Buried
103 Y V 0.0000 Buried
104 C V 0.0000 Buried
105 A V 0.0000 Buried
106 R V 0.1133 Aggregation-prone
107 D V 0.0000 Buried
108 M V 1.1019 Aggregation-prone
109 I V 1.7386 Aggregation-prone
110 F V 2.3055 Aggregation-prone
112 N V 1.2087 Aggregation-prone
113 F V 1.2474 Aggregation-prone
114 Y V 0.0000 Buried
115 F V 0.0000 Buried
116 D V -0.2412 Soluble
117 V V 0.1443 Aggregation-prone
118 W V -0.4721 Soluble
119 G V 0.0000 Buried
120 Q V -1.9851 Soluble
121 G V -1.3349 Soluble
122 T V -0.6766 Soluble
123 T V -0.3430 Soluble
124 V V 0.0000 Buried
125 T V 0.0000 Buried
126 V V 0.0000 Buried
127 S V -0.7428 Soluble
128 S V -0.6913 Soluble
129 A V -0.4966 Soluble
130 S V -0.6565 Soluble
131 T V -0.8765 Soluble
132 K V -1.5713 Soluble
133 G V -1.6238 Soluble
134 P V 0.0000 Buried
135 S V -0.5955 Soluble
136 V V 0.0000 Buried
137 F V 0.0000 Buried
138 P V -1.3652 Soluble
139 L V 0.0000 Buried
140 A V -1.0709 Soluble
141 P V 0.0000 Buried
142 S V -1.0605 Soluble
143 S V -0.9040 Soluble
144 K V -1.6099 Soluble
145 S V -0.9628 Soluble
146 T V -0.8791 Soluble
147 S V -0.8451 Soluble
148 G V -0.9267 Soluble
149 G V -0.9207 Soluble
150 T V -0.6285 Soluble
151 A V -0.3778 Soluble
152 A V 0.0000 Buried
153 L V 0.0000 Buried
154 G V 0.0000 Buried
155 C V 0.0000 Buried
156 L V 0.0000 Buried
157 V V 0.0000 Buried
158 K V 0.0000 Buried
159 D V -0.6363 Soluble
160 Y V 0.0000 Buried
161 F V 0.0000 Buried
162 P V 0.0000 Buried
163 E V -0.3129 Soluble
164 P V -0.6853 Soluble
165 V V -0.7098 Soluble
166 T V -0.6629 Soluble
167 V V -0.2416 Soluble
168 S V -0.4336 Soluble
169 W V 0.0000 Buried
170 N V -0.8016 Soluble
171 S V -0.6576 Soluble
172 G V -0.5298 Soluble
173 A V -0.2337 Soluble
174 L V -0.0012 Soluble
175 T V -0.1675 Soluble
176 S V -0.1756 Soluble
177 G V -0.2096 Soluble
178 V V 0.1540 Aggregation-prone
179 H V -0.3551 Soluble
180 T V -0.1685 Soluble
181 F V 0.0000 Buried
182 P V -0.2644 Soluble
183 A V 0.4782 Aggregation-prone
184 V V 0.7591 Aggregation-prone
185 L V 1.4482 Aggregation-prone
186 Q V 0.4146 Aggregation-prone
187 S V -0.1225 Soluble
188 S V -0.2200 Soluble
189 G V 0.0620 Aggregation-prone
190 L V 0.0973 Aggregation-prone
191 Y V 0.4143 Aggregation-prone
192 S V 0.0000 Buried
193 L V 0.0000 Buried
194 S V 0.0000 Buried
195 S V 0.0000 Buried
196 V V 0.0000 Buried
197 V V 0.0000 Buried
198 T V -0.1220 Soluble
199 V V 0.0000 Buried
200 P V -0.6288 Soluble
201 S V -0.6149 Soluble
202 S V -0.6351 Soluble
203 S V -0.5820 Soluble
204 L V -0.7480 Soluble
205 G V -0.9343 Soluble
206 T V -0.7316 Soluble
207 Q V -1.2948 Soluble
208 T V -1.1982 Soluble
209 Y V 0.0000 Buried
210 I V -1.5629 Soluble
211 C V 0.0000 Buried
212 N V -1.6299 Soluble
213 V V 0.0000 Buried
214 N V -2.3608 Soluble
215 H V 0.0000 Buried
216 K V -2.8194 Soluble
217 P V -1.6291 Soluble
218 S V -1.9763 Soluble
219 N V -2.7167 Soluble
220 T V -2.2597 Soluble
221 K V -2.9208 Soluble
222 V V -1.8109 Soluble
223 D V -2.5689 Soluble
224 K V -2.3365 Soluble
225 R V -2.7378 Soluble
226 V V 0.0000 Buried
227 E V -3.0142 Soluble
228 P V -1.9162 Soluble
229 K V -2.1626 Soluble
230 S V -1.0635 Soluble
231 C V 0.1485 Aggregation-prone
1 D M -2.0225 Soluble
2 I M -1.5838 Soluble
3 Q M -1.7598 Soluble
4 M M 0.0000 Buried
5 T M -0.7686 Soluble
6 Q M 0.0000 Buried
7 S M -0.4142 Soluble
8 P M -0.5773 Soluble
9 S M -0.8484 Soluble
10 T M -0.9314 Soluble
11 L M -0.7356 Soluble
12 S M -0.9985 Soluble
13 A M -0.9832 Soluble
14 S M -0.8089 Soluble
15 V M 0.0570 Aggregation-prone
16 G M -0.7770 Soluble
17 D M -1.8166 Soluble
18 R M -2.2775 Soluble
19 V M 0.0000 Buried
20 T M -0.6275 Soluble
21 I M 0.0000 Buried
22 T M -0.5640 Soluble
23 C M 0.0000 Buried
24 S M -1.1995 Soluble
25 A M 0.0000 Buried
26 S M -1.4878 Soluble
27 S M -1.7391 Soluble
28 R M -2.1307 Soluble
29 V M -0.9301 Soluble
37 G M -0.3564 Soluble
38 Y M 0.5820 Aggregation-prone
39 M M 0.0000 Buried
40 H M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.6917 Soluble
46 P M -1.3046 Soluble
47 G M -1.6070 Soluble
48 K M -2.1856 Soluble
49 A M -1.4367 Soluble
50 P M 0.0000 Buried
51 K M -1.3137 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.0573 Soluble
56 D M -0.1257 Soluble
57 T M -0.2629 Soluble
65 S M -0.7202 Soluble
66 K M -1.1717 Soluble
67 L M -0.2285 Soluble
68 A M -0.3693 Soluble
69 S M -0.3884 Soluble
70 G M -0.4248 Soluble
71 V M -0.2034 Soluble
72 P M -0.2870 Soluble
74 S M -0.3732 Soluble
75 R M -0.7632 Soluble
76 F M 0.0000 Buried
77 S M -0.5150 Soluble
78 G M -0.5612 Soluble
79 S M -0.8114 Soluble
80 G M -0.8801 Soluble
83 S M -1.0217 Soluble
84 G M -1.3412 Soluble
85 T M -1.5904 Soluble
86 E M -2.1642 Soluble
87 F M 0.0000 Buried
88 T M -0.6510 Soluble
89 L M 0.0000 Buried
90 T M -0.6007 Soluble
91 I M 0.0000 Buried
92 S M -1.3960 Soluble
93 S M -1.1998 Soluble
94 L M 0.0000 Buried
95 Q M -1.2293 Soluble
96 P M -1.7318 Soluble
97 D M -2.1043 Soluble
98 D M 0.0000 Buried
99 F M -1.2511 Soluble
100 A M 0.0000 Buried
101 T M 0.0000 Buried
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 F M 0.0000 Buried
106 Q M 0.0000 Buried
107 G M 0.0000 Buried
108 S M -0.0883 Soluble
109 G M -0.3528 Soluble
114 Y M 0.0584 Aggregation-prone
115 P M -0.4060 Soluble
116 F M 0.0000 Buried
117 T M -0.6578 Soluble
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 G M -1.2000 Soluble
121 G M -1.0049 Soluble
122 T M 0.0000 Buried
123 K M -1.9455 Soluble
124 V M 0.0000 Buried
125 E M -1.4646 Soluble
126 I M 0.0000 Buried
127 K M -1.2041 Soluble
128 R M -0.8009 Soluble
129 T M -0.1102 Soluble
130 V M 0.2842 Aggregation-prone
131 A M -0.1033 Soluble
132 A M -0.1356 Soluble
133 P M 0.0000 Buried
134 S M -0.1430 Soluble
135 V M -0.0302 Soluble
136 F M 0.0000 Buried
137 I M 0.0000 Buried
138 F M 0.0000 Buried
139 P M -0.5100 Soluble
140 P M -0.9018 Soluble
141 S M -1.9220 Soluble
142 D M -3.0927 Soluble
143 E M -3.2821 Soluble
144 Q M 0.0000 Buried
145 L M -2.2779 Soluble
146 K M -2.9228 Soluble
147 S M -1.8070 Soluble
148 G M -1.4165 Soluble
149 T M -1.0889 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.9542 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.7478 Soluble
162 R M -2.8488 Soluble
163 E M -3.2104 Soluble
164 A M -2.3682 Soluble
165 K M -2.3098 Soluble
166 V M -1.3522 Soluble
167 Q M -0.7650 Soluble
168 W M 0.0000 Buried
169 K M -0.7873 Soluble
170 V M 0.0000 Buried
171 D M -1.9571 Soluble
172 N M -1.6165 Soluble
173 A M -0.4513 Soluble
174 L M 0.2641 Aggregation-prone
175 Q M -0.4606 Soluble
176 S M -0.6862 Soluble
177 G M -1.1298 Soluble
178 N M -1.3338 Soluble
179 S M -1.1570 Soluble
180 Q M -1.0063 Soluble
181 E M -1.3199 Soluble
182 S M -0.7307 Soluble
183 V M -0.7491 Soluble
184 T M -1.1249 Soluble
185 E M -2.1222 Soluble
186 Q M 0.0000 Buried
187 D M -2.1113 Soluble
188 S M -2.3285 Soluble
189 K M -2.6926 Soluble
190 D M -1.9686 Soluble
191 S M 0.0000 Buried
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.5835 Soluble
199 L M 0.0000 Buried
200 T M -0.5939 Soluble
201 L M -0.8269 Soluble
202 S M -1.1257 Soluble
203 K M -2.0776 Soluble
204 A M -1.9809 Soluble
205 D M -2.9277 Soluble
206 Y M 0.0000 Buried
207 E M -3.3418 Soluble
208 K M -3.6165 Soluble
209 H M -3.1159 Soluble
210 K M -3.2129 Soluble
211 V M -1.3983 Soluble
212 Y M 0.0000 Buried
213 A M -0.8229 Soluble
214 C M 0.0000 Buried
215 E M -0.7546 Soluble
216 V M 0.0000 Buried
217 T M -1.2999 Soluble
218 H M 0.0000 Buried
219 Q M -1.7575 Soluble
220 G M -0.4693 Soluble
221 L M -0.2865 Soluble
222 S M -0.4865 Soluble
223 S M -0.4354 Soluble
224 P M -0.5690 Soluble
225 V M 0.0971 Aggregation-prone
226 T M -0.3586 Soluble
227 K M -0.7271 Soluble
228 S M -0.6996 Soluble
229 F M 0.0000 Buried
230 N M -1.7200 Soluble
231 R M -2.2096 Soluble
232 G M -1.9699 Soluble
233 E M -2.2118 Soluble
234 C M -0.7886 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.7539 4.9559 CSV PDB
4.5 -0.7983 4.9559 CSV PDB
5.0 -0.8484 4.9559 CSV PDB
5.5 -0.8946 4.9559 CSV PDB
6.0 -0.9255 4.9559 CSV PDB
6.5 -0.9316 4.9559 CSV PDB
7.0 -0.9131 4.9559 CSV PDB
7.5 -0.8784 4.9559 CSV PDB
8.0 -0.8346 4.9559 CSV PDB
8.5 -0.7832 4.9559 CSV PDB
9.0 -0.7237 4.9559 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH