Motavizumab / 3ixt

A4DAB172_3ixt_H_L | Source PDB: 3ixt | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7026
Max Score
2.7903
Min Score
-3.7383
Total Score
-297.92
Score CDR
-0.2422
Score non-CDR
-0.7587

Calculation Parameters

Chain Sequence(s) QVTLRESGPALVKPTQTLTLTCTFSGFSLSTAGMSVGWIRQPPGKALEWLADIWWDDKKHYNPSLKDRLTISKDTSKNQVVLKVTNMDPADTATYYCARDMIFNFYFDVWGQGTTVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSTLSASVGDRVTITCSASSRVGYMHWYQQKPGKAPKLLIYDTSKLASGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCFQGSGYPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) H (Heavy), L (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 -3.7383
Maximum Score 2.7903
Average Score -0.7026
Total Score -297.9174

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

Index Residue Chain A4D Score Classification
1 Q H -1.2273 Soluble
2 V H -0.6162 Soluble
3 T H -0.9016 Soluble
4 L H 0.0000 Buried
5 R H -2.2199 Soluble
6 E H 0.0000 Buried
7 S H -0.6574 Soluble
8 G H -0.2985 Soluble
9 P H -0.3660 Soluble
11 A H -0.4040 Soluble
12 L H -0.2750 Soluble
13 V H 0.0000 Buried
14 K H -2.3835 Soluble
15 P H -2.0690 Soluble
16 T H -2.0089 Soluble
17 Q H -2.2442 Soluble
18 T H -1.6310 Soluble
19 L H 0.0000 Buried
20 T H -0.5691 Soluble
21 L H 0.0000 Buried
22 T H -0.4984 Soluble
23 C H 0.0000 Buried
24 T H -1.1885 Soluble
25 F H 0.0000 Buried
26 S H -0.9672 Soluble
27 G H -0.7623 Soluble
28 F H -0.2830 Soluble
29 S H -0.3895 Soluble
30 L H 0.0000 Buried
31 S H -0.5816 Soluble
34 T H -0.0900 Soluble
35 A H 0.1956 Aggregation-prone
36 G H 0.0000 Buried
37 M H 0.7278 Aggregation-prone
38 S H 0.0000 Buried
39 V H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.8603 Soluble
45 P H 0.0000 Buried
46 P H -1.0562 Soluble
47 G H -1.4466 Soluble
48 K H -2.1885 Soluble
49 A H -1.2574 Soluble
50 L H 0.0000 Buried
51 E H -0.7545 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 A H 0.0000 Buried
55 D H 0.0000 Buried
56 I H 0.0000 Buried
57 W H 0.0000 Buried
58 W H -1.1391 Soluble
59 D H -2.1800 Soluble
63 D H -3.2734 Soluble
64 K H -3.3473 Soluble
65 K H -2.5342 Soluble
66 H H -0.9020 Soluble
67 Y H -0.4892 Soluble
68 N H 0.0000 Buried
69 P H -1.0645 Soluble
70 S H -0.8491 Soluble
71 L H 0.0000 Buried
72 K H -2.0155 Soluble
74 D H -2.4166 Soluble
75 R H -1.9523 Soluble
76 L H 0.0000 Buried
77 T H -0.9148 Soluble
78 I H 0.0000 Buried
79 S H -1.0886 Soluble
80 K H -1.1890 Soluble
81 D H -1.4385 Soluble
82 T H -1.2313 Soluble
83 S H -1.4480 Soluble
84 K H -2.2678 Soluble
85 N H -1.6207 Soluble
86 Q H -1.4327 Soluble
87 V H 0.0000 Buried
88 V H -0.1194 Soluble
89 L H 0.0000 Buried
90 K H -1.0259 Soluble
91 V H 0.0000 Buried
92 T H -1.8453 Soluble
93 N H -2.2977 Soluble
94 M H 0.0000 Buried
95 D H -2.3156 Soluble
96 P H -1.2099 Soluble
97 A H -0.6101 Soluble
98 D H 0.0000 Buried
99 T H -0.4148 Soluble
100 A H 0.0000 Buried
101 T H -0.3166 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 D H 0.0000 Buried
108 M H 1.6760 Aggregation-prone
109 I H 2.6896 Aggregation-prone
110 F H 2.7903 Aggregation-prone
112 N H 1.5832 Aggregation-prone
113 F H 1.3907 Aggregation-prone
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.5127 Soluble
117 V H -0.4343 Soluble
118 W H -0.6714 Soluble
119 G H 0.0000 Buried
120 Q H -2.0423 Soluble
121 G H 0.0000 Buried
122 T H -0.6742 Soluble
123 T H -0.3176 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.9479 Soluble
128 S H -0.8061 Soluble
129 A H -0.5542 Soluble
130 S H -0.6970 Soluble
131 T H -0.7451 Soluble
132 K H -1.3703 Soluble
133 G H -1.5415 Soluble
134 P H -0.7218 Soluble
135 S H -0.5260 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2142 Soluble
139 L H 0.0000 Buried
140 A H -0.8479 Soluble
141 P H 0.0000 Buried
142 S H -0.4154 Soluble
143 T H -0.2850 Soluble
144 A H -0.1589 Soluble
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H 0.0000 Buried
152 D H -0.6252 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.6107 Soluble
157 P H -0.6701 Soluble
158 V H -0.5961 Soluble
159 T H -0.4812 Soluble
160 V H -0.1262 Soluble
161 S H -0.3913 Soluble
162 W H 0.0000 Buried
163 N H -0.8407 Soluble
164 S H -0.6992 Soluble
165 G H -0.5361 Soluble
166 A H -0.2353 Soluble
167 L H 0.0238 Aggregation-prone
168 T H -0.1472 Soluble
169 S H -0.1741 Soluble
170 G H -0.1437 Soluble
171 V H 0.1978 Aggregation-prone
172 H H -0.3183 Soluble
173 T H -0.2090 Soluble
174 F H 0.0000 Buried
175 P H -0.4048 Soluble
176 A H 0.2356 Aggregation-prone
177 V H 0.5089 Aggregation-prone
178 L H 1.2609 Aggregation-prone
179 Q H 0.2055 Aggregation-prone
180 S H -0.0702 Soluble
181 S H -0.2583 Soluble
182 G H -0.0264 Soluble
183 L H 0.0499 Aggregation-prone
184 Y H 0.3892 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1207 Soluble
192 V H 0.0000 Buried
193 P H -0.4967 Soluble
194 S H -0.4572 Soluble
195 S H -0.5338 Soluble
196 S H -0.5923 Soluble
197 L H -0.8351 Soluble
198 G H -1.1400 Soluble
199 T H -0.8865 Soluble
200 Q H -1.2780 Soluble
201 T H -1.1591 Soluble
202 Y H 0.0000 Buried
203 I H -1.2151 Soluble
204 C H 0.0000 Buried
205 N H -1.4582 Soluble
206 V H 0.0000 Buried
207 N H -1.6797 Soluble
208 H H 0.0000 Buried
209 K H -2.7279 Soluble
210 P H -1.5520 Soluble
211 S H -1.8466 Soluble
212 N H -2.5160 Soluble
213 T H -2.0687 Soluble
214 K H -2.5950 Soluble
215 V H -1.5317 Soluble
216 D H -2.5152 Soluble
217 K H -1.9932 Soluble
218 K H -2.5499 Soluble
219 V H 0.0000 Buried
220 E H -2.5249 Soluble
221 P H -1.2266 Soluble
1 D L -1.9138 Soluble
2 I L -1.5030 Soluble
3 Q L -1.6558 Soluble
4 M L 0.0000 Buried
5 T L -0.8057 Soluble
6 Q L 0.0000 Buried
7 S L -0.5835 Soluble
8 P L -0.5985 Soluble
9 S L -0.8547 Soluble
10 T L -0.8838 Soluble
11 L L -0.6761 Soluble
12 S L -0.8637 Soluble
13 A L 0.0000 Buried
14 S L -1.1509 Soluble
15 V L -0.3583 Soluble
16 G L -1.0119 Soluble
17 D L -2.0235 Soluble
18 R L -2.3963 Soluble
19 V L 0.0000 Buried
20 T L -0.5967 Soluble
21 I L 0.0000 Buried
22 T L -0.5889 Soluble
23 C L 0.0000 Buried
24 S L -1.4034 Soluble
25 A L 0.0000 Buried
26 S L -1.4787 Soluble
27 S L -1.7842 Soluble
28 R L -2.2597 Soluble
29 V L 0.0000 Buried
37 G L -0.5245 Soluble
38 Y L 0.4604 Aggregation-prone
39 M L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.5959 Soluble
46 P L -1.3720 Soluble
47 G L -1.7640 Soluble
48 K L -2.4926 Soluble
49 A L -1.6516 Soluble
50 P L 0.0000 Buried
51 K L -1.6263 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2994 Soluble
56 D L -0.5271 Soluble
57 T L -0.4521 Soluble
65 S L -0.8498 Soluble
66 K L -1.3932 Soluble
67 L L -0.4884 Soluble
68 A L -0.6045 Soluble
69 S L -0.5364 Soluble
70 G L -0.5496 Soluble
71 V L 0.0000 Buried
72 P L -0.4740 Soluble
74 S L -0.4904 Soluble
75 R L -0.8748 Soluble
76 F L 0.0000 Buried
77 S L -0.5794 Soluble
78 G L -0.6324 Soluble
79 S L -0.8555 Soluble
80 G L -1.0348 Soluble
83 S L -1.1756 Soluble
84 G L -1.4862 Soluble
85 T L -1.7737 Soluble
86 E L -2.4078 Soluble
87 F L 0.0000 Buried
88 T L -0.6879 Soluble
89 L L 0.0000 Buried
90 T L -0.6052 Soluble
91 I L 0.0000 Buried
92 S L -1.4186 Soluble
93 S L -1.2713 Soluble
94 L L 0.0000 Buried
95 Q L -1.4700 Soluble
96 P L -2.1115 Soluble
97 D L -2.6332 Soluble
98 D L 0.0000 Buried
99 F L -1.4987 Soluble
100 A L 0.0000 Buried
101 T L -0.8772 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 F L 0.0000 Buried
106 Q L 0.0000 Buried
107 G L 0.2692 Aggregation-prone
108 S L -0.1432 Soluble
109 G L -0.4020 Soluble
114 Y L 0.1132 Aggregation-prone
115 P L 0.0000 Buried
116 F L 0.0000 Buried
117 T L -0.5684 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -1.2226 Soluble
121 G L -1.0267 Soluble
122 T L 0.0000 Buried
123 K L -1.8914 Soluble
124 V L 0.0000 Buried
125 E L -1.4554 Soluble
126 I L 0.0000 Buried
127 K L -1.6621 Soluble
128 R L -1.0227 Soluble
129 T L -0.1777 Soluble
130 V L 0.3964 Aggregation-prone
131 A L -0.0068 Soluble
132 A L -0.1096 Soluble
133 P L 0.0000 Buried
134 S L -0.1255 Soluble
135 V L 0.0000 Buried
136 F L 0.1028 Aggregation-prone
137 I L 0.0871 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6141 Soluble
140 P L -0.8280 Soluble
141 S L -1.6291 Soluble
142 D L -2.9395 Soluble
143 E L -2.9847 Soluble
144 Q L 0.0000 Buried
145 L L -2.2778 Soluble
146 K L -2.8489 Soluble
147 S L -1.8048 Soluble
148 G L -1.3498 Soluble
149 T L -1.1645 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.8993 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8212 Soluble
162 R L -2.9576 Soluble
163 E L -3.3003 Soluble
164 A L -2.3309 Soluble
165 K L -2.3399 Soluble
166 V L -1.2735 Soluble
167 Q L -0.9051 Soluble
168 W L 0.0000 Buried
169 K L -0.5589 Soluble
170 V L 0.0000 Buried
171 D L -1.2968 Soluble
172 N L -1.1281 Soluble
173 A L -0.1273 Soluble
174 L L 0.6734 Aggregation-prone
175 Q L -0.1624 Soluble
176 S L -0.4666 Soluble
177 G L -0.9523 Soluble
178 N L -0.8811 Soluble
179 S L -1.3782 Soluble
180 Q L -1.7593 Soluble
181 E L -2.1301 Soluble
182 S L 0.0000 Buried
183 V L -0.8549 Soluble
184 T L -1.1845 Soluble
185 E L -2.2684 Soluble
186 Q L 0.0000 Buried
187 D L -2.2233 Soluble
188 S L -2.4794 Soluble
189 K L -2.8683 Soluble
190 D L -2.3045 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.8008 Soluble
199 L L 0.0000 Buried
200 T L -0.5585 Soluble
201 L L -0.8617 Soluble
202 S L -1.4516 Soluble
203 K L -2.3237 Soluble
204 A L -2.1756 Soluble
205 D L -3.1152 Soluble
206 Y L 0.0000 Buried
207 E L -3.6653 Soluble
208 K L -3.7383 Soluble
209 H L -2.9586 Soluble
210 K L -2.9343 Soluble
211 V L -1.4212 Soluble
212 Y L 0.0000 Buried
213 A L -0.9476 Soluble
214 C L 0.0000 Buried
215 E L -1.0469 Soluble
216 V L 0.0000 Buried
217 T L -1.2935 Soluble
218 H L 0.0000 Buried
219 Q L -1.7774 Soluble
220 G L -0.4056 Soluble
221 L L -0.2604 Soluble
222 S L -0.4686 Soluble
223 S L -0.4196 Soluble
224 P L -0.5721 Soluble
225 V L -0.0972 Soluble
226 T L -0.6820 Soluble
227 K L -0.9459 Soluble
228 S L -0.7977 Soluble
229 F L -0.9597 Soluble
230 N L -2.0311 Soluble
231 R L -2.4612 Soluble
232 G L -1.4957 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 -0.7191 5.5689 CSV PDB
4.5 -0.7652 5.5689 CSV PDB
5.0 -0.8168 5.5689 CSV PDB
5.5 -0.8641 5.5689 CSV PDB
6.0 -0.8958 5.5689 CSV PDB
6.5 -0.9029 5.5689 CSV PDB
7.0 -0.8858 5.5689 CSV PDB
7.5 -0.8525 5.5689 CSV PDB
8.0 -0.8101 5.5689 CSV PDB
8.5 -0.76 5.5689 CSV PDB
9.0 -0.7016 5.5689 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH