Conatumumab / 4n90

A4DAB070_4n90_F_G | Source PDB: 4n90 | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7289
Max Score
1.0573
Min Score
-3.6453
Total Score
-311.95
Score CDR
-0.4456
Score non-CDR
-0.7663

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYFWSWIRQLPGKGLEWIGHIHNSGTTYYNPSLKSRVTISVDTSKKQFSLRLSSVTAADTAVYYCARDRGGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPGTLSLSPGERATLSCRASQGISRSYLAWYQQKPGQAPSLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQFGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) F (Heavy), G (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 -3.6453
Maximum Score 1.0573
Average Score -0.7289
Total Score -311.9493

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

Index Residue Chain A4D Score Classification
1 Q F -1.5491 Soluble
2 V F -1.0927 Soluble
3 Q F -1.8270 Soluble
4 L F 0.0000 Buried
5 Q F -1.7676 Soluble
6 E F 0.0000 Buried
7 S F -0.5372 Soluble
8 G F -0.3765 Soluble
9 P F -0.5513 Soluble
11 G F -0.5468 Soluble
12 L F -0.4193 Soluble
13 V F 0.0000 Buried
14 K F -1.6745 Soluble
15 P F -1.2434 Soluble
16 S F -1.1792 Soluble
17 Q F -1.6393 Soluble
18 T F -1.2772 Soluble
19 L F 0.0000 Buried
20 S F -0.8297 Soluble
21 L F 0.0000 Buried
22 T F -0.5756 Soluble
23 C F 0.0000 Buried
24 T F -1.3170 Soluble
25 V F 0.0000 Buried
26 S F -1.3920 Soluble
27 G F -1.3779 Soluble
28 G F -1.0694 Soluble
29 S F -0.9452 Soluble
30 I F 0.0000 Buried
31 S F -0.8050 Soluble
34 S F -0.8115 Soluble
35 G F -1.0631 Soluble
36 D F -1.0751 Soluble
37 Y F -0.4204 Soluble
38 F F -0.0117 Soluble
39 W F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 I F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.5850 Soluble
45 L F -0.7551 Soluble
46 P F -0.8762 Soluble
47 G F -1.4470 Soluble
48 K F -2.3386 Soluble
49 G F -1.5823 Soluble
50 L F 0.0000 Buried
51 E F -0.5023 Soluble
52 W F 0.0000 Buried
53 I F 0.0000 Buried
54 G F 0.0000 Buried
55 H F 0.0000 Buried
56 I F 0.0000 Buried
57 H F -0.4775 Soluble
58 N F -0.8955 Soluble
59 S F -0.7696 Soluble
63 G F -0.6753 Soluble
64 T F -0.2309 Soluble
65 T F 0.1674 Aggregation-prone
66 Y F 0.7761 Aggregation-prone
67 Y F 0.2141 Aggregation-prone
68 N F 0.0000 Buried
69 P F -1.0193 Soluble
70 S F -1.1405 Soluble
71 L F 0.0000 Buried
72 K F -2.0628 Soluble
74 S F -1.4911 Soluble
75 R F -1.4990 Soluble
76 V F 0.0000 Buried
77 T F -0.6939 Soluble
78 I F 0.0000 Buried
79 S F -0.5306 Soluble
80 V F -0.7431 Soluble
81 D F -1.5426 Soluble
82 T F -1.4749 Soluble
83 S F -1.5252 Soluble
84 K F -2.5460 Soluble
85 K F -2.2632 Soluble
86 Q F -1.7000 Soluble
87 F F 0.0000 Buried
88 S F -0.5897 Soluble
89 L F 0.0000 Buried
90 R F -1.6808 Soluble
91 L F 0.0000 Buried
92 S F -1.0699 Soluble
93 S F -1.1512 Soluble
94 V F 0.0000 Buried
95 T F -0.5188 Soluble
96 A F -0.1418 Soluble
97 A F 0.0649 Aggregation-prone
98 D F 0.0000 Buried
99 T F 0.0664 Aggregation-prone
100 A F 0.0000 Buried
101 V F 0.1956 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F -0.2672 Soluble
107 D F 0.0000 Buried
108 R F -0.3180 Soluble
109 G F -0.1054 Soluble
110 G F -0.0015 Soluble
111 D F -0.2968 Soluble
112A Y F 0.8233 Aggregation-prone
112 Y F 0.4917 Aggregation-prone
113 Y F 0.3801 Aggregation-prone
114 G F 0.0000 Buried
115 M F 0.0000 Buried
116 D F -0.4502 Soluble
117 V F -0.5584 Soluble
118 W F -0.8022 Soluble
119 G F 0.0000 Buried
120 Q F -1.8728 Soluble
121 G F -0.9894 Soluble
122 T F 0.0000 Buried
123 T F -0.2531 Soluble
124 V F 0.0000 Buried
125 T F -0.3611 Soluble
126 V F 0.0000 Buried
127 S F -0.5656 Soluble
128 S F -0.6144 Soluble
129 A F -0.4101 Soluble
130 S F -0.5142 Soluble
131 T F -0.7729 Soluble
132 K F -1.2573 Soluble
133 G F -1.1267 Soluble
134 P F 0.0000 Buried
135 S F -0.4516 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.0794 Soluble
139 L F 0.0000 Buried
140 A F -0.6884 Soluble
141 P F -0.4693 Soluble
142 T F -0.2645 Soluble
143 A F -0.1059 Soluble
144 A F 0.0000 Buried
145 L F 0.0000 Buried
146 G F 0.0000 Buried
147 C F 0.0000 Buried
148 L F 0.0000 Buried
149 V F 0.0000 Buried
150 K F 0.0000 Buried
151 D F -0.5769 Soluble
152 Y F 0.0000 Buried
153 F F -0.5140 Soluble
154 P F 0.0000 Buried
155 E F -1.0808 Soluble
156 P F -0.8790 Soluble
157 V F -0.5828 Soluble
158 T F -0.7457 Soluble
159 V F -0.3531 Soluble
160 S F -0.4266 Soluble
161 W F 0.0000 Buried
162 N F -0.9783 Soluble
163 S F -0.7237 Soluble
164 G F -0.5907 Soluble
165 A F -0.2631 Soluble
166 L F -0.2422 Soluble
167 T F -0.2576 Soluble
168 S F -0.2672 Soluble
169 G F -0.5352 Soluble
170 V F 0.1064 Aggregation-prone
171 H F -0.2806 Soluble
172 T F 0.1270 Aggregation-prone
173 F F 0.0000 Buried
174 P F -0.1906 Soluble
175 A F 0.3815 Aggregation-prone
176 V F 0.4007 Aggregation-prone
177 L F 1.0573 Aggregation-prone
178 Q F 0.1718 Aggregation-prone
179 S F -0.1026 Soluble
180 S F -0.2671 Soluble
181 G F -0.0090 Soluble
182 L F 0.0968 Aggregation-prone
183 Y F 0.3443 Aggregation-prone
184 S F 0.0000 Buried
185 L F 0.3356 Aggregation-prone
186 S F 0.0000 Buried
187 S F 0.0000 Buried
188 V F 0.0000 Buried
189 V F 0.0000 Buried
190 T F -0.1766 Soluble
191 V F 0.0000 Buried
192 P F -0.3523 Soluble
193 S F -0.3332 Soluble
194 S F -0.3561 Soluble
195 S F -0.5222 Soluble
196 L F -0.5178 Soluble
197 G F -0.8904 Soluble
198 T F -0.7473 Soluble
199 Q F -1.1390 Soluble
200 T F -1.0074 Soluble
201 Y F 0.0000 Buried
202 I F -1.0805 Soluble
203 C F 0.0000 Buried
204 N F -1.6538 Soluble
205 V F 0.0000 Buried
206 N F -2.9025 Soluble
207 H F 0.0000 Buried
208 K F -3.0443 Soluble
209 P F -1.7830 Soluble
210 S F -2.0115 Soluble
211 N F -2.7268 Soluble
212 T F -2.4866 Soluble
213 K F -3.1181 Soluble
214 V F -1.7675 Soluble
215 D F -2.5414 Soluble
216 K F -1.6396 Soluble
217 K F -2.0587 Soluble
218 V F 0.0000 Buried
219 E F -2.1078 Soluble
220 P F -1.0606 Soluble
1 E G -1.6956 Soluble
2 I G 0.0000 Buried
3 V G 0.5185 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.6582 Soluble
6 Q G 0.0000 Buried
7 S G -0.8816 Soluble
8 P G -0.6410 Soluble
9 G G -0.8722 Soluble
10 T G -0.5562 Soluble
11 L G -0.3478 Soluble
12 S G -0.8306 Soluble
13 L G -1.3853 Soluble
14 S G -2.0743 Soluble
15 P G -2.2111 Soluble
16 G G -2.4718 Soluble
17 E G -3.5918 Soluble
18 R G -3.4714 Soluble
19 A G 0.0000 Buried
20 T G -0.7544 Soluble
21 L G 0.0000 Buried
22 S G -0.9256 Soluble
23 C G 0.0000 Buried
24 R G -2.3918 Soluble
25 A G 0.0000 Buried
26 S G -1.1815 Soluble
27 Q G -1.9113 Soluble
28 G G -1.7930 Soluble
29 I G 0.0000 Buried
30 S G -1.0688 Soluble
36 R G -1.9048 Soluble
37 S G -0.7164 Soluble
38 Y G -0.3140 Soluble
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G -0.5152 Soluble
44 Q G -0.8821 Soluble
45 K G -1.3913 Soluble
46 P G -1.3364 Soluble
47 G G -1.5754 Soluble
48 Q G -1.9689 Soluble
49 A G -1.2308 Soluble
50 P G 0.0000 Buried
51 S G -0.5819 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -0.3272 Soluble
56 G G -0.6485 Soluble
57 A G 0.0000 Buried
65 S G -1.0509 Soluble
66 S G -0.9052 Soluble
67 R G -1.8947 Soluble
68 A G 0.0000 Buried
69 T G -0.6123 Soluble
70 G G -0.8129 Soluble
71 I G -0.7991 Soluble
72 P G -1.2676 Soluble
74 D G -2.4129 Soluble
75 R G -2.0821 Soluble
76 F G 0.0000 Buried
77 S G -0.9560 Soluble
78 G G -0.6039 Soluble
79 S G -0.8816 Soluble
80 G G -1.3684 Soluble
83 S G -1.5632 Soluble
84 G G -1.6737 Soluble
85 T G -2.1429 Soluble
86 D G -2.2690 Soluble
87 F G 0.0000 Buried
88 T G -0.8050 Soluble
89 L G 0.0000 Buried
90 T G -0.8041 Soluble
91 I G 0.0000 Buried
92 S G -2.4666 Soluble
93 R G -3.5107 Soluble
94 L G 0.0000 Buried
95 E G -2.3559 Soluble
96 P G -2.2177 Soluble
97 E G -2.1416 Soluble
98 D G 0.0000 Buried
99 F G 0.0000 Buried
100 A G 0.0000 Buried
101 V G -0.3801 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 F G 0.0000 Buried
108 G G -0.8025 Soluble
109 S G -0.7287 Soluble
114 S G -0.5771 Soluble
115 P G 0.0000 Buried
116 W G 0.0000 Buried
117 T G 0.0000 Buried
118 F G 0.0774 Aggregation-prone
119 G G 0.0000 Buried
120 Q G -1.5100 Soluble
121 G G -0.8906 Soluble
122 T G 0.0000 Buried
123 K G -0.8910 Soluble
124 V G 0.0000 Buried
125 E G -0.8934 Soluble
126 I G 0.0000 Buried
127 K G -1.8925 Soluble
128 R G -1.2878 Soluble
129 T G 0.0356 Aggregation-prone
130 V G 0.8768 Aggregation-prone
131 A G 0.4226 Aggregation-prone
132 A G 0.1076 Aggregation-prone
133 P G 0.0000 Buried
134 S G -0.1316 Soluble
135 V G 0.0655 Aggregation-prone
136 F G 0.2393 Aggregation-prone
137 I G 0.2420 Aggregation-prone
138 F G 0.0000 Buried
139 P G -0.7765 Soluble
140 P G 0.0000 Buried
141 S G -1.4684 Soluble
142 D G -2.6777 Soluble
143 E G -2.5214 Soluble
144 Q G 0.0000 Buried
145 L G -1.8719 Soluble
146 K G -2.6089 Soluble
147 S G -1.3689 Soluble
148 G G -1.1831 Soluble
149 T G -0.7763 Soluble
150 A G 0.0000 Buried
151 S G 0.0000 Buried
152 V G 0.0000 Buried
153 V G 0.0000 Buried
154 C G 0.0000 Buried
155 L G 0.0000 Buried
156 L G 0.0000 Buried
157 N G 0.0000 Buried
158 N G -0.7874 Soluble
159 F G 0.0000 Buried
160 Y G -0.7308 Soluble
161 P G -1.3671 Soluble
162 R G -2.3616 Soluble
163 E G -3.1111 Soluble
164 A G -2.2507 Soluble
165 K G -2.5822 Soluble
166 V G -1.2833 Soluble
167 Q G -1.1384 Soluble
168 W G 0.0000 Buried
169 K G -1.3501 Soluble
170 V G -0.8337 Soluble
171 D G -1.2791 Soluble
172 N G -1.4793 Soluble
173 A G -0.2969 Soluble
174 L G 0.5951 Aggregation-prone
175 Q G -0.7147 Soluble
176 S G -0.8416 Soluble
177 G G -1.4788 Soluble
178 N G -1.8052 Soluble
179 S G -1.7057 Soluble
180 Q G -1.8181 Soluble
181 E G -2.1628 Soluble
182 S G -0.6822 Soluble
183 V G -0.3155 Soluble
184 T G 0.0000 Buried
185 E G -1.6985 Soluble
186 Q G 0.0000 Buried
187 D G -2.1074 Soluble
188 S G -2.2477 Soluble
189 K G -2.9442 Soluble
190 D G -2.6496 Soluble
191 S G 0.0000 Buried
192 T G 0.0000 Buried
193 Y G 0.0000 Buried
194 S G 0.0000 Buried
195 L G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 T G -0.8847 Soluble
199 L G 0.0000 Buried
200 T G -0.5956 Soluble
201 L G -0.3430 Soluble
202 S G -0.8379 Soluble
203 K G -1.9334 Soluble
204 A G -1.6415 Soluble
205 D G -2.3521 Soluble
206 Y G 0.0000 Buried
207 E G -3.6453 Soluble
208 K G -3.5696 Soluble
209 H G -2.8695 Soluble
210 K G -3.0195 Soluble
211 V G -1.0811 Soluble
212 Y G 0.0000 Buried
213 A G 0.0000 Buried
214 C G 0.0000 Buried
215 E G -1.3199 Soluble
216 V G 0.0000 Buried
217 T G -1.3916 Soluble
218 H G 0.0000 Buried
219 Q G -1.2861 Soluble
220 G G -0.2727 Soluble
221 L G -0.1719 Soluble
222 S G -0.4335 Soluble
223 S G -0.4756 Soluble
224 P G -0.6757 Soluble
225 V G -0.1013 Soluble
226 T G -0.5320 Soluble
227 K G -0.7322 Soluble
228 S G -0.7327 Soluble
229 F G -1.2556 Soluble
230 N G -2.5341 Soluble
231 R G -2.9569 Soluble
232 G G -2.5772 Soluble
233 E G -2.7576 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
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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 -0.7781 1.7742 CSV PDB
4.5 -0.8165 1.6692 CSV PDB
5.0 -0.8611 1.582 CSV PDB
5.5 -0.9019 1.4901 CSV PDB
6.0 -0.9279 1.4078 CSV PDB
6.5 -0.9321 1.4342 CSV PDB
7.0 -0.9156 1.4902 CSV PDB
7.5 -0.8858 1.5481 CSV PDB
8.0 -0.8486 1.6929 CSV PDB
8.5 -0.8059 1.8376 CSV PDB
9.0 -0.7579 1.9787 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH