Tanezumab / 4edw

A4DAB256_4edw_H_L | Source PDB: 4edw | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.624
Max Score
1.781
Min Score
-3.4434
Total Score
-267.7
Score CDR
-0.1151
Score non-CDR
-0.6881

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGFSLIGYDLNWIRQPPGKGLEWIGIIWGDGTTDYNSAVKSRVTISKDTSKNQFSLKLSSVTAADTAVYYCARGGYWYATSYYFDYWGQGTLVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERDIQMTQSPSSLSASVGDRVTITCRASQSISNNLNWYQQKPGKAPKLLIYYTSRFHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQEHTLPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.4434
Maximum Score 1.781
Average Score -0.624
Total Score -267.696

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

Index Residue Chain A4D Score Classification
1 Q H -1.4520 Soluble
2 V H -0.7730 Soluble
3 Q H -1.5246 Soluble
4 L H 0.0000 Buried
5 Q H -1.1333 Soluble
6 E H 0.0000 Buried
7 S H -0.5079 Soluble
8 G H -0.6699 Soluble
9 P H -0.6136 Soluble
11 G H -0.4566 Soluble
12 L H -0.3971 Soluble
13 V H 0.0000 Buried
14 K H -2.4468 Soluble
15 P H -1.7339 Soluble
16 S H -1.7151 Soluble
17 E H -2.6022 Soluble
18 T H -1.5961 Soluble
19 L H 0.0000 Buried
20 S H -0.7468 Soluble
21 L H 0.0000 Buried
22 T H -0.6361 Soluble
23 C H 0.0000 Buried
24 T H -1.2458 Soluble
25 V H 0.0000 Buried
26 S H -1.1263 Soluble
27 G H -1.0367 Soluble
28 F H -0.1884 Soluble
29 S H 0.2981 Aggregation-prone
30 L H 0.0000 Buried
35 I H 1.2791 Aggregation-prone
36 G H 0.4278 Aggregation-prone
37 Y H 0.7859 Aggregation-prone
38 D H 0.0000 Buried
39 L H 0.0000 Buried
40 N 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 -0.7674 Soluble
45 P H -0.8765 Soluble
46 P H -0.9762 Soluble
47 G H -1.4590 Soluble
48 K H -2.3739 Soluble
49 G H -1.6314 Soluble
50 L H 0.0000 Buried
51 E H -0.8556 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 I H 0.0000 Buried
56 I H 0.0000 Buried
57 W H -0.1640 Soluble
58 G H -0.1790 Soluble
59 D H -1.4268 Soluble
63 G H -0.8600 Soluble
64 T H -0.8163 Soluble
65 T H -0.5658 Soluble
66 D H -0.6535 Soluble
67 Y H -0.6323 Soluble
68 N H -0.8239 Soluble
69 S H -0.9737 Soluble
70 A H -0.5181 Soluble
71 V H 0.0000 Buried
72 K H -1.5946 Soluble
74 S H -1.0399 Soluble
75 R H -1.0762 Soluble
76 V H 0.0000 Buried
77 T H -0.7165 Soluble
78 I H 0.0000 Buried
79 S H -0.7655 Soluble
80 K H -1.2377 Soluble
81 D H -1.9852 Soluble
82 T H -1.2825 Soluble
83 S H -1.6949 Soluble
84 K H -2.6467 Soluble
85 N H -2.1918 Soluble
86 Q H -1.9296 Soluble
87 F H 0.0000 Buried
88 S H -0.6814 Soluble
89 L H 0.0000 Buried
90 K H -0.9264 Soluble
91 L H 0.0000 Buried
92 S H -1.1098 Soluble
93 S H -1.2771 Soluble
94 V H 0.0000 Buried
95 T H -0.7029 Soluble
96 A H -0.2075 Soluble
97 A H 0.0568 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0647 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.1435 Aggregation-prone
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 G H 0.0000 Buried
108 G H 0.0000 Buried
109 Y H 1.6866 Aggregation-prone
110 W H 1.3973 Aggregation-prone
111 Y H 1.7810 Aggregation-prone
111A A H 1.0044 Aggregation-prone
112A T H 0.6320 Aggregation-prone
112 S H 0.0000 Buried
113 Y H 0.0000 Buried
114 Y H 0.4207 Aggregation-prone
115 F H 0.0000 Buried
116 D H 0.1188 Aggregation-prone
117 Y H 0.2346 Aggregation-prone
118 W H -0.4554 Soluble
119 G H 0.0000 Buried
120 Q H -1.8233 Soluble
121 G H -0.9628 Soluble
122 T H -0.3331 Soluble
123 L H 0.0622 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2691 Soluble
126 V H 0.0000 Buried
127 S H -0.7041 Soluble
128 S H -0.8708 Soluble
129 A H -0.5395 Soluble
130 S H -0.6436 Soluble
131 T H -0.7078 Soluble
132 K H -1.1531 Soluble
133 G H -1.3423 Soluble
134 P H -0.5519 Soluble
135 S H -0.2251 Soluble
136 V H 0.0000 Buried
137 F H -0.3665 Soluble
138 P H -0.6724 Soluble
139 L H 0.0000 Buried
140 A H -0.7406 Soluble
141 P H -0.4390 Soluble
142 C H -0.5424 Soluble
143 S H -0.6145 Soluble
144 T H -0.3787 Soluble
145 A H -0.4678 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4300 Soluble
154 Y H 0.0000 Buried
155 F H -0.2101 Soluble
156 P H 0.0000 Buried
157 E H -0.4285 Soluble
158 P H -0.5830 Soluble
159 V H -0.5807 Soluble
160 T H -0.5189 Soluble
161 V H -0.1703 Soluble
162 S H -0.4953 Soluble
163 W H 0.0000 Buried
164 N H -0.8104 Soluble
165 S H -0.8068 Soluble
166 G H -0.6095 Soluble
167 A H -0.2744 Soluble
168 L H -0.1067 Soluble
169 T H -0.2099 Soluble
170 S H -0.2233 Soluble
171 G H -0.2943 Soluble
172 V H 0.1181 Aggregation-prone
173 H H -0.3491 Soluble
174 T H -0.0044 Soluble
175 F H 0.0000 Buried
176 P H -0.3434 Soluble
177 A H 0.1675 Aggregation-prone
178 V H 0.3979 Aggregation-prone
179 L H 1.1606 Aggregation-prone
180 Q H 0.2736 Aggregation-prone
181 S H -0.0729 Soluble
182 S H -0.2099 Soluble
183 G H 0.0846 Aggregation-prone
184 L H 0.1964 Aggregation-prone
185 Y H 0.4495 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1791 Soluble
193 V H 0.0000 Buried
194 P H -0.6133 Soluble
195 S H -0.5858 Soluble
196 S H -0.6990 Soluble
197 N H -1.1035 Soluble
198 F H -1.1989 Soluble
199 G H -0.8181 Soluble
200 T H -0.7938 Soluble
201 Q H -1.4579 Soluble
202 T H -1.2009 Soluble
203 Y H 0.0000 Buried
204 T H -1.1359 Soluble
205 C H 0.0000 Buried
206 N H -1.4208 Soluble
207 V H 0.0000 Buried
208 D H -1.8337 Soluble
209 H H 0.0000 Buried
210 K H -2.7648 Soluble
211 P H -1.6115 Soluble
212 S H -1.7671 Soluble
213 N H -2.5849 Soluble
214 T H -2.0241 Soluble
215 K H -2.6828 Soluble
216 V H -1.4916 Soluble
217 D H -2.3015 Soluble
218 K H -1.5208 Soluble
219 T H -1.0882 Soluble
220 V H 0.0000 Buried
221 E H -2.8589 Soluble
222 R H -2.6936 Soluble
1 D L -2.2242 Soluble
2 I L 0.0000 Buried
3 Q L -2.3692 Soluble
4 M L 0.0000 Buried
5 T L -1.4826 Soluble
6 Q L 0.0000 Buried
7 S L -0.8227 Soluble
8 P L -0.5447 Soluble
9 S L -0.8139 Soluble
10 S L -0.6041 Soluble
11 L L -0.2947 Soluble
12 S L -0.7352 Soluble
13 A L 0.0000 Buried
14 S L -0.8691 Soluble
15 V L 0.1527 Aggregation-prone
16 G L -0.6783 Soluble
17 D L -1.5772 Soluble
18 R L -2.2458 Soluble
19 V L 0.0000 Buried
20 T L -0.6044 Soluble
21 I L 0.0000 Buried
22 T L -0.8093 Soluble
23 C L 0.0000 Buried
24 R L -2.6886 Soluble
25 A L 0.0000 Buried
26 S L -2.0336 Soluble
27 Q L -2.1784 Soluble
28 S L -1.4863 Soluble
29 I L 0.0000 Buried
36 S L -0.9610 Soluble
37 N L -0.9309 Soluble
38 N L -0.6734 Soluble
39 L L 0.0000 Buried
40 N 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 -1.2394 Soluble
45 K L -1.7525 Soluble
46 P L -1.5487 Soluble
47 G L -1.8337 Soluble
48 K L -2.5494 Soluble
49 A L -1.5572 Soluble
50 P L 0.0000 Buried
51 K L -1.0654 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 Y L -0.0788 Soluble
57 T L 0.0000 Buried
65 S L -0.4891 Soluble
66 R L -0.4003 Soluble
67 F L 0.4157 Aggregation-prone
68 H L -0.1815 Soluble
69 S L -0.2665 Soluble
70 G L -0.4059 Soluble
71 V L -0.1105 Soluble
72 P L -0.1829 Soluble
74 S L -0.2766 Soluble
75 R L -0.6909 Soluble
76 F L 0.0000 Buried
77 S L -0.3021 Soluble
78 G L -0.3298 Soluble
79 S L -0.7151 Soluble
80 G L -1.0353 Soluble
83 S L -1.1054 Soluble
84 G L -1.2635 Soluble
85 T L -1.6946 Soluble
86 D L -1.9197 Soluble
87 F L 0.0000 Buried
88 T L -0.7162 Soluble
89 F L 0.0000 Buried
90 T L -0.6021 Soluble
91 I L 0.0000 Buried
92 S L -1.3053 Soluble
93 S L -1.0679 Soluble
94 L L 0.0000 Buried
95 Q L -0.7304 Soluble
96 P L -1.4587 Soluble
97 E L -1.6261 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8626 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 E L -0.4932 Soluble
108 H L -1.0137 Soluble
109 T L -0.5036 Soluble
114 L L -0.1592 Soluble
115 P L -0.4819 Soluble
116 Y L 0.0000 Buried
117 T L -0.9067 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.9206 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.3659 Soluble
124 L L 0.0000 Buried
125 E L -1.1688 Soluble
126 I L 0.0000 Buried
127 K L -1.4901 Soluble
128 R L -0.9272 Soluble
129 T L 0.0358 Aggregation-prone
130 V L 0.9323 Aggregation-prone
131 A L 0.1299 Aggregation-prone
132 A L 0.0260 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.0376 Soluble
135 V L 0.0950 Aggregation-prone
136 F L 0.2051 Aggregation-prone
137 I L 0.1241 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.2278 Soluble
140 P L 0.0000 Buried
141 S L -1.2832 Soluble
142 D L -2.6084 Soluble
143 E L -2.5358 Soluble
144 Q L 0.0000 Buried
145 L L -2.1854 Soluble
146 K L -2.7328 Soluble
147 S L -1.6792 Soluble
148 G L -1.3286 Soluble
149 T L -0.9642 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 -0.9762 Soluble
159 F L 0.0000 Buried
160 Y L -0.9474 Soluble
161 P L -1.5982 Soluble
162 R L -2.9022 Soluble
163 E L -2.9776 Soluble
164 A L -1.9894 Soluble
165 K L -1.7008 Soluble
166 V L -0.8057 Soluble
167 Q L -0.3357 Soluble
168 W L 0.0000 Buried
169 K L -0.4664 Soluble
170 V L 0.0000 Buried
171 D L -1.9502 Soluble
172 N L -1.5363 Soluble
173 A L -0.2288 Soluble
174 L L 0.7853 Aggregation-prone
175 Q L 0.0182 Aggregation-prone
176 S L -0.3929 Soluble
177 G L -0.8759 Soluble
178 N L -0.7756 Soluble
179 S L -1.0776 Soluble
180 Q L -1.3662 Soluble
181 E L -1.8548 Soluble
182 S L 0.0000 Buried
183 V L -0.9969 Soluble
184 T L -1.0909 Soluble
185 E L -2.0565 Soluble
186 Q L 0.0000 Buried
187 D L -2.1154 Soluble
188 S L -2.2009 Soluble
189 K L -2.5794 Soluble
190 D L -1.9343 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 -0.6243 Soluble
199 L L 0.0000 Buried
200 T L -0.3048 Soluble
201 L L -0.5587 Soluble
202 S L -0.9741 Soluble
203 K L -2.0814 Soluble
204 A L -1.7380 Soluble
205 D L -2.2329 Soluble
206 Y L 0.0000 Buried
207 E L -3.2695 Soluble
208 K L -3.4434 Soluble
209 H L -2.9258 Soluble
210 K L -3.0331 Soluble
211 V L -1.4000 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6145 Soluble
216 V L 0.0000 Buried
217 T L -1.0196 Soluble
218 H L 0.0000 Buried
219 Q L -1.4086 Soluble
220 G L -0.2628 Soluble
221 L L -0.1942 Soluble
222 S L -0.4847 Soluble
223 S L -0.4320 Soluble
224 P L -0.5294 Soluble
225 V L 0.0002 Aggregation-prone
226 T L -0.4230 Soluble
227 K L -0.6407 Soluble
228 S L -0.6009 Soluble
229 F L 0.0000 Buried
230 N L -1.7498 Soluble
231 R L -2.2642 Soluble
232 G L -1.8834 Soluble
233 E L -2.1476 Soluble
234 C L -0.6909 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
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 -0.6807 2.611 CSV PDB
4.5 -0.718 2.4836 CSV PDB
5.0 -0.7615 2.449 CSV PDB
5.5 -0.8023 2.449 CSV PDB
6.0 -0.8304 2.449 CSV PDB
6.5 -0.8381 2.449 CSV PDB
7.0 -0.8253 2.4489 CSV PDB
7.5 -0.7983 2.4488 CSV PDB
8.0 -0.7628 2.4484 CSV PDB
8.5 -0.7209 2.447 CSV PDB
9.0 -0.6729 2.4428 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH