Project name: Q161A

Status: done

Started: 2026-08-16 07:19:01
Chain sequence(s) A: QCIQPGTGYNNGYFYSYWNDGHGGVTYCNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAAQGLTLGTMDYQIVAVEGYFSSGSASITVS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)
Show buried residues
Minimal score value
-2.519
Maximal score value
1.9612
Average score
-0.4484
Total score value
-85.2039
Download the table (csv)

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 Q A -0.7389
2 C A 0.2202
3 I A 0.0014
4 Q A -0.8073
5 P A -0.6779
6 G A -0.4364
7 T A 0.0293
8 G A 0.4363
9 Y A 0.8281
10 N A -0.5166
11 N A -1.4199
12 G A -0.7466
13 Y A -0.2084
14 F A 0.0000
15 Y A 0.2472
16 S A 0.0000
17 Y A 0.0000
18 W A -0.1189
19 N A -0.8800
20 D A -1.2992
21 G A -1.4734
22 H A -1.6800
23 G A -1.4577
24 G A -1.2323
25 V A -1.0475
26 T A -0.4314
27 Y A 0.0000
28 C A -0.1941
29 N A 0.0000
30 G A -0.8305
31 P A -1.0602
32 G A -1.0691
33 G A 0.0000
34 Q A -0.8936
35 F A 0.0000
36 S A -0.5670
37 V A 0.0000
38 N A -1.5448
39 W A 0.0000
40 S A -1.2047
41 N A -1.1979
42 S A 0.0000
43 G A 0.0000
44 N A -0.0810
45 F A 0.0000
46 V A 0.2362
47 G A 0.0000
48 G A 0.0000
49 K A 0.0000
50 G A 0.0000
51 W A 0.0410
52 Q A -0.2641
53 P A -0.4425
54 G A 0.0000
55 T A -0.9019
56 K A -1.7669
57 N A -1.8048
58 K A -0.5902
59 V A 0.6775
60 I A 0.0000
61 N A -0.8485
62 F A 0.0000
63 S A -0.8185
64 G A -0.6879
65 S A -0.8279
66 Y A 0.0000
67 N A -1.8344
68 P A -1.6201
69 N A -1.7782
70 G A -0.5778
71 N A 0.1756
72 S A 0.0000
73 Y A 0.1036
74 L A 0.0000
75 S A 0.0000
76 V A 0.0000
77 Y A 0.0000
78 G A 0.0000
79 W A 0.0000
80 S A 0.0000
81 R A -0.9092
82 N A -1.5993
83 P A -0.9581
84 L A -0.1085
85 I A 0.0000
86 E A 0.0000
87 Y A 0.0000
88 Y A 0.0000
89 I A 0.0000
90 V A 0.0000
91 E A 0.0000
92 N A -0.9017
93 F A -0.3062
94 G A -0.5520
95 T A -0.1741
96 Y A 0.5408
97 N A -0.1942
98 P A -0.1151
99 S A 0.0000
100 T A -0.4797
101 G A -0.8557
102 A A -0.9475
103 T A -1.1681
104 K A -1.9737
105 L A -1.1342
106 G A -1.3402
107 E A -1.8607
108 V A -0.7853
109 T A -0.3904
110 S A 0.0000
111 D A -0.9280
112 G A -0.8505
113 S A 0.0000
114 V A -0.6309
115 Y A 0.0000
116 D A 0.0000
117 I A 0.0000
118 Y A -1.2087
119 R A -1.1000
120 T A -0.8590
121 Q A -0.8507
122 R A -0.6618
123 V A 0.4187
124 N A -1.0929
125 Q A -1.1566
126 P A -0.4073
127 S A 0.2387
128 I A 1.2103
129 I A 1.9612
130 G A 0.3981
131 T A -0.1822
132 A A -0.0944
133 T A -0.2523
134 F A 0.0000
135 Y A 0.0002
136 Q A 0.0000
137 Y A 0.0000
138 W A 0.0000
139 S A 0.0000
140 V A 0.0000
141 R A 0.0000
142 R A -2.5055
143 N A -2.5190
144 H A -1.9557
145 R A -1.3041
146 S A -0.7517
147 S A -0.7667
148 G A -0.8009
149 S A -0.4782
150 V A 0.0000
151 N A -0.5204
152 T A 0.0000
153 A A -1.3358
154 N A -1.2858
155 H A 0.0000
156 F A 0.0000
157 N A -1.8305
158 A A -1.2871
159 W A 0.0000
160 A A -0.8409
161 A A -0.8432
162 Q A -1.3299
163 G A -0.9343
164 L A 0.0000
165 T A -0.5647
166 L A -0.5274
167 G A -0.7943
168 T A -0.7090
169 M A -0.5594
170 D A 0.0000
171 Y A 0.0000
172 Q A 0.0000
173 I A 0.0000
174 V A 0.0000
175 A A 0.0000
176 V A 0.0000
177 E A 0.1432
178 G A 0.0000
179 Y A 1.5089
180 F A 1.3668
181 S A 0.0000
182 S A -1.0841
183 G A -1.6195
184 S A -1.3544
185 A A 0.0000
186 S A -0.7497
187 I A 0.0000
188 T A -0.7167
189 V A 0.0000
190 S A -0.4101
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