Conatumumab / 4n90

A4DAB070_4n90_D_E | Source PDB: 4n90 | Chains: D, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7114
Max Score
1.4557
Min Score
-3.6736
Total Score
-307.32
Score CDR
-0.4403
Score non-CDR
-0.7469

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYFWSWIRQLPGKGLEWIGHIHNSGTTYYNPSLKSRVTISVDTSKKQFSLRLSSVTAADTAVYYCARDRGGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPGTLSLSPGERATLSCRASQGISRSYLAWYQQKPGQAPSLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQFGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) D (Heavy), E (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 -3.6736
Maximum Score 1.4557
Average Score -0.7114
Total Score -307.3246

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

Index Residue Chain A4D Score Classification
1 Q D -1.4626 Soluble
2 V D -1.0028 Soluble
3 Q D -1.6793 Soluble
4 L D 0.0000 Buried
5 Q D -1.7892 Soluble
6 E D 0.0000 Buried
7 S D -0.5813 Soluble
8 G D -0.2685 Soluble
9 P D -0.3961 Soluble
11 G D 0.0000 Buried
12 L D -0.3192 Soluble
13 V D 0.0000 Buried
14 K D -1.6932 Soluble
15 P D -1.2593 Soluble
16 S D -1.2858 Soluble
17 Q D -1.7235 Soluble
18 T D -1.2791 Soluble
19 L D 0.0000 Buried
20 S D -0.6888 Soluble
21 L D 0.0000 Buried
22 T D -0.5567 Soluble
23 C D 0.0000 Buried
24 T D -1.2635 Soluble
25 V D 0.0000 Buried
26 S D -1.2340 Soluble
27 G D -1.1427 Soluble
28 G D -0.9784 Soluble
29 S D -0.7092 Soluble
30 I D 0.0000 Buried
31 S D -0.7169 Soluble
34 S D -0.6716 Soluble
35 G D -0.9492 Soluble
36 D D -0.9436 Soluble
37 Y D -0.3173 Soluble
38 F D 0.0921 Aggregation-prone
39 W D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 I D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.6466 Soluble
45 L D -0.7783 Soluble
46 P D -0.9983 Soluble
47 G D -1.3930 Soluble
48 K D -2.3368 Soluble
49 G D -1.5926 Soluble
50 L D 0.0000 Buried
51 E D -0.7629 Soluble
52 W D 0.0000 Buried
53 I D 0.0000 Buried
54 G D 0.0000 Buried
55 H D 0.0000 Buried
56 I D 0.0000 Buried
57 H D -0.2663 Soluble
58 N D -0.7099 Soluble
59 S D -0.6334 Soluble
63 G D -0.5556 Soluble
64 T D -0.0312 Soluble
65 T D 0.5229 Aggregation-prone
66 Y D 1.4301 Aggregation-prone
67 Y D 0.5742 Aggregation-prone
68 N D 0.0000 Buried
69 P D -0.8458 Soluble
70 S D -1.1020 Soluble
71 L D 0.0000 Buried
72 K D -2.0220 Soluble
74 S D -1.4238 Soluble
75 R D -1.3976 Soluble
76 V D 0.0000 Buried
77 T D -0.5553 Soluble
78 I D 0.0000 Buried
79 S D -0.4095 Soluble
80 V D -0.5771 Soluble
81 D D -1.3201 Soluble
82 T D -1.2308 Soluble
83 S D -1.3812 Soluble
84 K D -2.2347 Soluble
85 K D -1.6877 Soluble
86 Q D -1.4038 Soluble
87 F D 0.0000 Buried
88 S D 0.0000 Buried
89 L D 0.0000 Buried
90 R D -1.2274 Soluble
91 L D 0.0000 Buried
92 S D -1.0418 Soluble
93 S D -1.0791 Soluble
94 V D 0.0000 Buried
95 T D -0.5124 Soluble
96 A D -0.1869 Soluble
97 A D 0.0420 Aggregation-prone
98 D D 0.0000 Buried
99 T D 0.0612 Aggregation-prone
100 A D 0.0000 Buried
101 V D 0.0573 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 D D 0.0000 Buried
108 R D -0.2831 Soluble
109 G D -0.3220 Soluble
110 G D -0.1505 Soluble
111 D D -0.5437 Soluble
112A Y D 0.7183 Aggregation-prone
112 Y D 0.0000 Buried
113 Y D 0.2437 Aggregation-prone
114 G D 0.0000 Buried
115 M D 0.0000 Buried
116 D D -0.3889 Soluble
117 V D -0.4683 Soluble
118 W D -0.5933 Soluble
119 G D 0.0000 Buried
120 Q D -1.7331 Soluble
121 G D -0.9990 Soluble
122 T D -0.4834 Soluble
123 T D -0.2637 Soluble
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -0.6116 Soluble
128 S D -0.7336 Soluble
129 A D -0.5356 Soluble
130 S D -0.6605 Soluble
131 T D -0.7688 Soluble
132 K D -1.4756 Soluble
133 G D -1.5950 Soluble
134 P D -0.6884 Soluble
135 S D -0.2129 Soluble
136 V D 0.0000 Buried
137 F D -0.5751 Soluble
138 P D -0.9307 Soluble
139 L D 0.0000 Buried
140 A D -0.7998 Soluble
141 P D 0.0000 Buried
142 S D -0.3946 Soluble
143 S D -0.7427 Soluble
144 G D -0.9463 Soluble
145 G D -0.9697 Soluble
146 T D -0.5854 Soluble
147 A D -0.2974 Soluble
148 A D 0.0000 Buried
149 L D 0.0000 Buried
150 G D 0.0000 Buried
151 C D 0.0000 Buried
152 L D 0.0000 Buried
153 V D 0.0000 Buried
154 K D 0.0000 Buried
155 D D -0.3781 Soluble
156 Y D 0.0000 Buried
157 F D -0.4017 Soluble
158 P D 0.0000 Buried
159 E D -0.7147 Soluble
160 P D -0.8610 Soluble
161 V D -0.8954 Soluble
162 T D -0.8326 Soluble
163 V D -0.5517 Soluble
164 S D -0.5209 Soluble
165 W D 0.0000 Buried
166 N D -0.8465 Soluble
167 S D -0.6722 Soluble
168 G D -0.6092 Soluble
169 A D -0.2850 Soluble
170 L D -0.0854 Soluble
171 T D -0.2359 Soluble
172 S D -0.2339 Soluble
173 G D -0.1859 Soluble
174 V D 0.1370 Aggregation-prone
175 H D -0.3016 Soluble
176 T D -0.0001 Buried
177 F D 0.0000 Buried
178 P D -0.2010 Soluble
179 A D 0.2882 Aggregation-prone
180 V D 0.7680 Aggregation-prone
181 L D 1.4557 Aggregation-prone
182 Q D 0.4487 Aggregation-prone
183 S D -0.0100 Soluble
184 S D -0.1564 Soluble
185 G D 0.1623 Aggregation-prone
186 L D 0.2045 Aggregation-prone
187 Y D 0.0000 Buried
188 S D 0.0000 Buried
189 L D 0.0000 Buried
190 S D 0.0000 Buried
191 S D 0.0000 Buried
192 V D 0.0000 Buried
193 V D 0.0000 Buried
194 T D -0.1068 Soluble
195 V D 0.0000 Buried
196 P D -0.5116 Soluble
197 S D -0.6054 Soluble
198 S D -0.6289 Soluble
199 S D -0.4709 Soluble
200 L D -0.6284 Soluble
201 G D -0.9413 Soluble
202 T D -0.6134 Soluble
203 Q D -0.8476 Soluble
204 T D -0.9470 Soluble
205 Y D 0.0000 Buried
206 I D -1.1542 Soluble
207 C D 0.0000 Buried
208 N D -1.6125 Soluble
209 V D 0.0000 Buried
210 N D -2.4332 Soluble
211 H D 0.0000 Buried
212 K D -2.8336 Soluble
213 P D -1.6688 Soluble
214 S D -1.9403 Soluble
215 N D -2.6295 Soluble
216 T D -2.2165 Soluble
217 K D -2.7157 Soluble
218 V D -1.4347 Soluble
219 D D -2.4905 Soluble
220 K D -1.9329 Soluble
221 K D -2.1123 Soluble
222 V D 0.0000 Buried
223 E D -2.2950 Soluble
224 P D -1.1826 Soluble
1 E E -1.7238 Soluble
2 I E -0.6592 Soluble
3 V E 0.0919 Aggregation-prone
4 L E 0.0000 Buried
5 T E -0.7638 Soluble
6 Q E 0.0000 Buried
7 S E -0.6958 Soluble
8 P E -0.4734 Soluble
9 G E -0.8612 Soluble
10 T E -0.6591 Soluble
11 L E -0.3895 Soluble
12 S E -0.7822 Soluble
13 L E -1.3128 Soluble
14 S E -2.0369 Soluble
15 P E -2.4708 Soluble
16 G E -2.8275 Soluble
17 E E -3.6307 Soluble
18 R E -3.5372 Soluble
19 A E 0.0000 Buried
20 T E -0.5230 Soluble
21 L E 0.0000 Buried
22 S E -0.8574 Soluble
23 C E 0.0000 Buried
24 R E -2.0962 Soluble
25 A E 0.0000 Buried
26 S E -1.2087 Soluble
27 Q E -1.9145 Soluble
28 G E -1.9240 Soluble
29 I E 0.0000 Buried
30 S E -1.2679 Soluble
36 R E -2.0649 Soluble
37 S E -0.9413 Soluble
38 Y E -0.3805 Soluble
39 L E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E -0.5000 Soluble
44 Q E 0.0000 Buried
45 K E -1.3372 Soluble
46 P E -1.2498 Soluble
47 G E -1.5254 Soluble
48 Q E -1.9018 Soluble
49 A E -1.1526 Soluble
50 P E 0.0000 Buried
51 S E -0.5009 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.4026 Soluble
56 G E -0.6627 Soluble
57 A E 0.0000 Buried
65 S E -0.9111 Soluble
66 S E -0.6407 Soluble
67 R E -1.3213 Soluble
68 A E 0.0000 Buried
69 T E -0.4842 Soluble
70 G E -0.7060 Soluble
71 I E -0.6879 Soluble
72 P E -1.2139 Soluble
74 D E -2.3297 Soluble
75 R E -2.0501 Soluble
76 F E 0.0000 Buried
77 S E -0.8913 Soluble
78 G E -0.5286 Soluble
79 S E -0.9490 Soluble
80 G E -1.4637 Soluble
83 S E -1.6674 Soluble
84 G E -1.8231 Soluble
85 T E -2.2344 Soluble
86 D E -2.6886 Soluble
87 F E 0.0000 Buried
88 T E -0.8525 Soluble
89 L E 0.0000 Buried
90 T E -0.7457 Soluble
91 I E 0.0000 Buried
92 S E -2.5938 Soluble
93 R E -3.6570 Soluble
94 L E 0.0000 Buried
95 E E -2.8598 Soluble
96 P E -2.4229 Soluble
97 E E -2.2571 Soluble
98 D E 0.0000 Buried
99 F E 0.0000 Buried
100 A E 0.0000 Buried
101 V E -0.5710 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 F E 0.0000 Buried
108 G E -0.7931 Soluble
109 S E -0.5772 Soluble
114 S E -0.4953 Soluble
115 P E -0.4945 Soluble
116 W E 0.0000 Buried
117 T E -0.3807 Soluble
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.6581 Soluble
121 G E -1.1476 Soluble
122 T E 0.0000 Buried
123 K E -1.1794 Soluble
124 V E 0.0000 Buried
125 E E -1.0068 Soluble
126 I E 0.0000 Buried
127 K E -1.3779 Soluble
128 R E -1.1040 Soluble
129 T E -0.1146 Soluble
130 V E 0.4099 Aggregation-prone
131 A E 0.1261 Aggregation-prone
132 A E -0.0863 Soluble
133 P E 0.0000 Buried
134 S E -0.0295 Soluble
135 V E 0.0540 Aggregation-prone
136 F E 0.1090 Aggregation-prone
137 I E 0.0000 Buried
138 F E 0.0000 Buried
139 P E -0.6692 Soluble
140 P E -0.8292 Soluble
141 S E -1.4266 Soluble
142 D E -2.7528 Soluble
143 E E -2.5126 Soluble
144 Q E 0.0000 Buried
145 L E -2.0315 Soluble
146 K E -2.6264 Soluble
147 S E -1.6104 Soluble
148 G E -1.3248 Soluble
149 T E -0.8901 Soluble
150 A E 0.0000 Buried
151 S E 0.0000 Buried
152 V E 0.0000 Buried
153 V E 0.0000 Buried
154 C E 0.0000 Buried
155 L E 0.0000 Buried
156 L E 0.0000 Buried
157 N E 0.0000 Buried
158 N E -0.7949 Soluble
159 F E 0.0000 Buried
160 Y E 0.0000 Buried
161 P E -1.6063 Soluble
162 R E -2.7013 Soluble
163 E E -3.1822 Soluble
164 A E -2.1493 Soluble
165 K E -1.8736 Soluble
166 V E -0.7731 Soluble
167 Q E -0.3958 Soluble
168 W E 0.0000 Buried
169 K E -0.6031 Soluble
170 V E 0.0000 Buried
171 D E -1.9120 Soluble
172 N E -1.4767 Soluble
173 A E -0.3942 Soluble
174 L E 0.7381 Aggregation-prone
175 Q E -0.2870 Soluble
176 S E -0.6876 Soluble
177 G E -1.3046 Soluble
178 N E -1.6693 Soluble
179 S E -1.3358 Soluble
180 Q E -1.0594 Soluble
181 E E -1.3169 Soluble
182 S E -0.6598 Soluble
183 V E -0.5550 Soluble
184 T E -0.8643 Soluble
185 E E -1.7155 Soluble
186 Q E 0.0000 Buried
187 D E -1.8872 Soluble
188 S E -2.1920 Soluble
189 K E -2.7064 Soluble
190 D E -2.0743 Soluble
191 S E 0.0000 Buried
192 T E 0.0000 Buried
193 Y E 0.0000 Buried
194 S E 0.0000 Buried
195 L E 0.0000 Buried
196 S E 0.0000 Buried
197 S E 0.0000 Buried
198 T E -0.6047 Soluble
199 L E 0.0000 Buried
200 T E -0.3891 Soluble
201 L E -0.8036 Soluble
202 S E -0.9906 Soluble
203 K E -2.0642 Soluble
204 A E -1.8546 Soluble
205 D E -2.6410 Soluble
206 Y E 0.0000 Buried
207 E E -3.6736 Soluble
208 K E -3.6510 Soluble
209 H E -3.0295 Soluble
210 K E -2.9556 Soluble
211 V E -1.6749 Soluble
212 Y E 0.0000 Buried
213 A E -0.7603 Soluble
214 C E 0.0000 Buried
215 E E -0.7382 Soluble
216 V E 0.0000 Buried
217 T E -1.0961 Soluble
218 H E 0.0000 Buried
219 Q E -1.5024 Soluble
220 G E -0.3679 Soluble
221 L E -0.2216 Soluble
222 S E -0.4350 Soluble
223 S E -0.4615 Soluble
224 P E -0.5473 Soluble
225 V E -0.0521 Soluble
226 T E -0.5099 Soluble
227 K E -0.8387 Soluble
228 S E -0.7632 Soluble
229 F E -1.1410 Soluble
230 N E -2.3046 Soluble
231 R E -2.9554 Soluble
232 G E -2.3249 Soluble
233 E E -2.6838 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 -0.7239 1.8576 CSV PDB
4.5 -0.764 1.832 CSV PDB
5.0 -0.8115 1.7992 CSV PDB
5.5 -0.8568 1.7638 CSV PDB
6.0 -0.8894 1.7301 CSV PDB
6.5 -0.9015 1.702 CSV PDB
7.0 -0.893 1.6978 CSV PDB
7.5 -0.8705 1.6979 CSV PDB
8.0 -0.8402 1.6975 CSV PDB
8.5 -0.8044 1.7079 CSV PDB
9.0 -0.7628 1.887 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH