Conatumumab / 4n90

A4DAB070_4n90_H_I | Source PDB: 4n90 | Chains: H, I | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7754
Max Score
1.1195
Min Score
-3.892
Total Score
-332.65
Score CDR
-0.4613
Score non-CDR
-0.8169

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYFWSWIRQLPGKGLEWIGHIHNSGTTYYNPSLKSRVTISVDTSKKQFSLRLSSVTAADTAVYYCARDRGGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPGTLSLSPGERATLSCRASQGISRSYLAWYQQKPGQAPSLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQFGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), I (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 -3.892
Maximum Score 1.1195
Average Score -0.7754
Total Score -332.6528

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

Index Residue Chain A4D Score Classification
1 Q H -1.5759 Soluble
2 V H -1.2567 Soluble
3 Q H -1.8508 Soluble
4 L H 0.0000 Buried
5 Q H -1.6213 Soluble
6 E H -1.0905 Soluble
7 S H -0.6289 Soluble
8 G H -0.4163 Soluble
9 P H -0.4860 Soluble
11 G H 0.0000 Buried
12 L H -0.3353 Soluble
13 V H -1.0433 Soluble
14 K H -2.3159 Soluble
15 P H -1.6143 Soluble
16 S H -1.5034 Soluble
17 Q H -2.0728 Soluble
18 T H -1.5921 Soluble
19 L H 0.0000 Buried
20 S H -1.0027 Soluble
21 L H 0.0000 Buried
22 T H -0.6932 Soluble
23 C H 0.0000 Buried
24 T H -1.3605 Soluble
25 V H 0.0000 Buried
26 S H -1.3295 Soluble
27 G H -1.1997 Soluble
28 G H -1.1886 Soluble
29 S H -0.8964 Soluble
30 I H 0.0000 Buried
31 S H -0.9883 Soluble
34 S H -0.7109 Soluble
35 G H -0.9835 Soluble
36 D H -1.0204 Soluble
37 Y H -0.4624 Soluble
38 F H -0.0288 Soluble
39 W H 0.0000 Buried
40 S 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 0.0000 Buried
45 L H -0.4817 Soluble
46 P H -0.8039 Soluble
47 G H -1.3249 Soluble
48 K H -2.2645 Soluble
49 G H -1.3743 Soluble
50 L H 0.0000 Buried
51 E H -0.3809 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 H H 0.0000 Buried
56 I H 0.0000 Buried
57 H H -0.3607 Soluble
58 N H -0.9902 Soluble
59 S H -0.8897 Soluble
63 G H -0.8740 Soluble
64 T H -0.2279 Soluble
65 T H 0.2196 Aggregation-prone
66 Y H 0.8348 Aggregation-prone
67 Y H 0.2458 Aggregation-prone
68 N H 0.0000 Buried
69 P H -0.9530 Soluble
70 S H -1.1766 Soluble
71 L H 0.0000 Buried
72 K H -2.0376 Soluble
74 S H -1.3187 Soluble
75 R H -1.4356 Soluble
76 V H 0.0000 Buried
77 T H -0.7221 Soluble
78 I H 0.0000 Buried
79 S H -0.9543 Soluble
80 V H -1.5848 Soluble
81 D H -2.9754 Soluble
82 T H -2.1798 Soluble
83 S H -2.0180 Soluble
84 K H -3.0491 Soluble
85 K H -2.7345 Soluble
86 Q H -2.1439 Soluble
87 F H 0.0000 Buried
88 S H -0.8788 Soluble
89 L H 0.0000 Buried
90 R H -2.0211 Soluble
91 L H 0.0000 Buried
92 S H -1.2262 Soluble
93 S H -1.1379 Soluble
94 V H 0.0000 Buried
95 T H -0.6299 Soluble
96 A H -0.0104 Soluble
97 A H 0.0839 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.1047 Aggregation-prone
100 A H 0.0000 Buried
101 V H -0.0020 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 -0.2564 Soluble
107 D H 0.0000 Buried
108 R H -0.6105 Soluble
109 G H 0.0000 Buried
110 G H -0.6167 Soluble
111 D H -1.2505 Soluble
112A Y H 0.2745 Aggregation-prone
112 Y H 0.0000 Buried
113 Y H 0.1001 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.4294 Soluble
117 V H -0.5674 Soluble
118 W H -0.7212 Soluble
119 G H 0.0000 Buried
120 Q H -1.7697 Soluble
121 G H -0.9719 Soluble
122 T H -0.5815 Soluble
123 T H -0.2708 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.9656 Soluble
128 S H -1.1220 Soluble
129 A H -0.6389 Soluble
130 S H -0.7204 Soluble
131 T H -0.8075 Soluble
132 K H -1.6961 Soluble
133 G H -1.7150 Soluble
134 P H -0.8080 Soluble
135 S H -0.3752 Soluble
136 V H 0.0000 Buried
137 F H -0.6422 Soluble
138 P H -1.0020 Soluble
139 L H 0.0000 Buried
140 A H -0.8860 Soluble
141 P H -0.5935 Soluble
142 G H -0.6434 Soluble
143 T H -0.4499 Soluble
144 A H -0.2330 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 -0.9532 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.6508 Soluble
157 P H -0.6175 Soluble
158 V H -0.4070 Soluble
159 T H -0.4998 Soluble
160 V H -0.2868 Soluble
161 S H -0.3771 Soluble
162 W H 0.0000 Buried
163 N H -0.9173 Soluble
164 S H -0.6748 Soluble
165 G H -0.5862 Soluble
166 A H -0.2967 Soluble
167 L H -0.0858 Soluble
168 T H -0.2251 Soluble
169 S H -0.1985 Soluble
170 G H -0.2501 Soluble
171 V H 0.1408 Aggregation-prone
172 H H -0.1259 Soluble
173 T H 0.0245 Aggregation-prone
174 F H 0.0000 Buried
175 P H -0.2350 Soluble
176 A H 0.2431 Aggregation-prone
177 V H 0.3520 Aggregation-prone
178 L H 1.1195 Aggregation-prone
179 Q H 0.0597 Aggregation-prone
180 S H -0.2054 Soluble
181 S H -0.3002 Soluble
182 G H -0.0588 Soluble
183 L H -0.2188 Soluble
184 Y H 0.0000 Buried
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 -0.1504 Soluble
192 V H 0.0000 Buried
193 P H -0.4663 Soluble
194 S H -0.4894 Soluble
195 S H -0.4224 Soluble
196 S H -0.4336 Soluble
197 L H -0.5725 Soluble
198 G H -0.9002 Soluble
199 T H -0.7730 Soluble
200 Q H -1.2456 Soluble
201 T H -1.1319 Soluble
202 Y H 0.0000 Buried
203 I H -1.1793 Soluble
204 C H 0.0000 Buried
205 N H 0.0000 Buried
206 V H 0.0000 Buried
207 N H -1.7111 Soluble
208 H H 0.0000 Buried
209 K H -2.7181 Soluble
210 P H -1.6289 Soluble
211 S H -1.9528 Soluble
212 N H -2.4960 Soluble
213 T H -2.1568 Soluble
214 K H -2.3641 Soluble
215 V H -0.9062 Soluble
216 D H -2.1266 Soluble
217 K H -1.7726 Soluble
218 K H -2.4574 Soluble
219 V H 0.0000 Buried
220 E H -2.3415 Soluble
221 P H -1.1375 Soluble
1 E I -1.7600 Soluble
2 I I 0.0000 Buried
3 V I 0.0804 Aggregation-prone
4 L I 0.0000 Buried
5 T I -0.9362 Soluble
6 Q I 0.0000 Buried
7 S I -0.9840 Soluble
8 P I -0.7470 Soluble
9 G I -1.0279 Soluble
10 T I -0.9613 Soluble
11 L I -0.6608 Soluble
12 S I -1.1523 Soluble
13 L I -1.4533 Soluble
14 S I -2.2073 Soluble
15 P I -2.4398 Soluble
16 G I -2.6741 Soluble
17 E I -3.4515 Soluble
18 R I -3.2735 Soluble
19 A I 0.0000 Buried
20 T I -0.5318 Soluble
21 L I 0.0000 Buried
22 S I -0.9413 Soluble
23 C I 0.0000 Buried
24 R I -2.5674 Soluble
25 A I 0.0000 Buried
26 S I -1.2943 Soluble
27 Q I -1.9936 Soluble
28 G I -1.8444 Soluble
29 I I 0.0000 Buried
30 S I -0.7659 Soluble
36 R I -1.0695 Soluble
37 S I -0.2852 Soluble
38 Y I -0.0458 Soluble
39 L I 0.0000 Buried
40 A I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I -0.8054 Soluble
44 Q I -1.1679 Soluble
45 K I -1.9146 Soluble
46 P I -1.4966 Soluble
47 G I -1.5142 Soluble
48 Q I -1.6926 Soluble
49 A I -1.1226 Soluble
50 P I 0.0000 Buried
51 S I -0.6147 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I -0.1705 Soluble
56 G I -0.2897 Soluble
57 A I 0.0000 Buried
65 S I -0.6863 Soluble
66 S I -0.7317 Soluble
67 R I -1.6054 Soluble
68 A I 0.0000 Buried
69 T I -0.5695 Soluble
70 G I -0.7684 Soluble
71 I I -0.7618 Soluble
72 P I -1.2010 Soluble
74 D I -2.3488 Soluble
75 R I -2.0343 Soluble
76 F I 0.0000 Buried
77 S I -0.8907 Soluble
78 G I -0.5084 Soluble
79 S I -0.6708 Soluble
80 G I -1.1146 Soluble
83 S I -1.2943 Soluble
84 G I -1.5750 Soluble
85 T I -2.1333 Soluble
86 D I -2.5490 Soluble
87 F I 0.0000 Buried
88 T I -0.8258 Soluble
89 L I 0.0000 Buried
90 T I -0.7486 Soluble
91 I I 0.0000 Buried
92 S I -2.5366 Soluble
93 R I -3.5835 Soluble
94 L I 0.0000 Buried
95 E I -2.5299 Soluble
96 P I -2.5805 Soluble
97 E I -2.9690 Soluble
98 D I 0.0000 Buried
99 F I -1.8816 Soluble
100 A I 0.0000 Buried
101 V I -0.9266 Soluble
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 Q I 0.0000 Buried
107 F I 0.0000 Buried
108 G I -0.6369 Soluble
109 S I -0.7344 Soluble
114 S I -0.5349 Soluble
115 P I 0.0000 Buried
116 W I 0.0000 Buried
117 T I -0.2188 Soluble
118 F I 0.0574 Aggregation-prone
119 G I 0.0000 Buried
120 Q I -1.7185 Soluble
121 G I 0.0000 Buried
122 T I 0.0000 Buried
123 K I -1.9333 Soluble
124 V I 0.0000 Buried
125 E I -1.6388 Soluble
126 I I 0.0000 Buried
127 K I -2.1691 Soluble
128 R I -1.8457 Soluble
129 T I -0.2604 Soluble
130 V I 0.8610 Aggregation-prone
131 A I 0.3569 Aggregation-prone
132 A I 0.1254 Aggregation-prone
133 P I 0.0000 Buried
134 S I -0.1319 Soluble
135 V I 0.0000 Buried
136 F I 0.1306 Aggregation-prone
137 I I 0.1240 Aggregation-prone
138 F I 0.0000 Buried
139 P I -0.6912 Soluble
140 P I 0.0000 Buried
141 S I -1.5167 Soluble
142 D I -2.8708 Soluble
143 E I -2.8550 Soluble
144 Q I 0.0000 Buried
145 L I -2.2086 Soluble
146 K I -2.8460 Soluble
147 S I -1.7985 Soluble
148 G I -1.1975 Soluble
149 T I -1.1111 Soluble
150 A I 0.0000 Buried
151 S I 0.0000 Buried
152 V I 0.0000 Buried
153 V I 0.0000 Buried
154 C I 0.0000 Buried
155 L I 0.0000 Buried
156 L I 0.0000 Buried
157 N I 0.0000 Buried
158 N I -0.8680 Soluble
159 F I 0.0000 Buried
160 Y I -0.8791 Soluble
161 P I -1.5752 Soluble
162 R I -2.7705 Soluble
163 E I -3.1700 Soluble
164 A I -2.1635 Soluble
165 K I -2.1276 Soluble
166 V I -0.7392 Soluble
167 Q I -0.3754 Soluble
168 W I 0.0000 Buried
169 K I -0.6869 Soluble
170 V I -0.9413 Soluble
171 D I -1.9359 Soluble
172 N I -1.6288 Soluble
173 A I -0.3027 Soluble
174 L I 0.8304 Aggregation-prone
175 Q I -0.0301 Soluble
176 S I -0.3601 Soluble
177 G I -1.0368 Soluble
178 N I -0.9514 Soluble
179 S I -1.2630 Soluble
180 Q I -1.7473 Soluble
181 E I -1.4940 Soluble
182 S I -0.5687 Soluble
183 V I -0.4855 Soluble
184 T I -0.9357 Soluble
185 E I -2.3646 Soluble
186 Q I -2.2697 Soluble
187 D I -2.5191 Soluble
188 S I -2.7718 Soluble
189 K I -3.0785 Soluble
190 D I -2.7340 Soluble
191 S I 0.0000 Buried
192 T I 0.0000 Buried
193 Y I 0.0000 Buried
194 S I 0.0000 Buried
195 L I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 T I -0.6376 Soluble
199 L I 0.0000 Buried
200 T I -0.4137 Soluble
201 L I -0.5464 Soluble
202 S I -1.2268 Soluble
203 K I -2.1610 Soluble
204 A I -2.0588 Soluble
205 D I -3.0416 Soluble
206 Y I 0.0000 Buried
207 E I -3.8580 Soluble
208 K I -3.8920 Soluble
209 H I -3.2865 Soluble
210 K I -3.3227 Soluble
211 V I -1.4956 Soluble
212 Y I 0.0000 Buried
213 A I -0.6689 Soluble
214 C I 0.0000 Buried
215 E I -0.9711 Soluble
216 V I 0.0000 Buried
217 T I -1.0773 Soluble
218 H I 0.0000 Buried
219 Q I -1.6473 Soluble
220 G I -0.3181 Soluble
221 L I 0.0534 Aggregation-prone
222 S I -0.3055 Soluble
223 S I -0.3101 Soluble
224 P I -0.4138 Soluble
225 V I 0.1851 Aggregation-prone
226 T I -0.3761 Soluble
227 K I -0.7691 Soluble
228 S I -0.6978 Soluble
229 F I -1.0618 Soluble
230 N I -2.0809 Soluble
231 R I -2.7743 Soluble
232 G I -2.1469 Soluble
233 E I -2.6453 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 -0.813 2.1429 CSV PDB
4.5 -0.8598 2.064 CSV PDB
5.0 -0.9135 1.9645 CSV PDB
5.5 -0.9634 1.8606 CSV PDB
6.0 -0.9981 1.7686 CSV PDB
6.5 -1.009 1.7038 CSV PDB
7.0 -0.9961 1.6701 CSV PDB
7.5 -0.9671 1.6566 CSV PDB
8.0 -0.9289 1.668 CSV PDB
8.5 -0.8836 1.7355 CSV PDB
9.0 -0.8315 1.8769 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH