Project name: 6952e5974d35b35 [mutate: FA1A]

Status: done

Started: 2026-07-23 08:54:01
Chain sequence(s) A: FSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHR
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
Mutated residues FA1A
Energy difference between WT (input) and mutated protein (by FoldX) -0.0416507 kcal/mol
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:49)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)
Show buried residues
Minimal score value
-3.5449
Maximal score value
1.1935
Average score
-0.8334
Total score value
-155.8504
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 A A -0.7564 mutated: FA1A
2 S A -1.2605
3 Q A -1.7881
4 Q A -1.3343
5 I A -0.3299
6 Y A 0.2964
7 G A 0.0000
8 V A 0.2236
9 V A 0.3180
10 Y A 0.6852
11 G A -0.2076
12 N A -0.9457
13 V A 0.0000
14 T A -0.2534
15 F A 0.0000
16 H A -1.1038
17 V A 0.0000
18 P A -0.5992
19 S A -0.2191
20 N A -0.4395
21 V A 0.8149
22 P A 0.1843
23 L A 0.0000
24 K A -2.3863
25 E A -2.6363
26 V A 0.0000
27 L A -0.6639
28 W A 0.0000
29 K A -2.2870
30 K A -2.6598
31 Q A -3.1008
32 K A -3.5449
33 D A -3.4262
34 K A -2.3243
35 V A 0.0000
36 A A 0.0000
37 E A 0.0000
38 L A 0.0000
39 E A -3.2120
40 N A -2.9744
41 S A -2.5125
42 E A -2.6111
43 F A -0.8686
44 R A -1.4172
45 A A -1.0157
46 F A -1.2568
47 S A -0.9598
48 S A -0.9663
49 F A 0.0000
50 K A -2.4178
51 N A -2.0179
52 R A -1.2727
53 V A -0.1945
54 Y A 0.8514
55 L A 0.0000
56 D A 0.3530
57 T A 0.2114
58 V A 1.1935
59 S A 0.2398
60 G A 0.0000
61 S A -0.1489
62 L A 0.0000
63 T A 0.0916
64 I A 0.0000
65 Y A -0.2458
66 N A -0.7910
67 L A 0.0000
68 T A -0.2675
69 S A -0.4235
70 S A -0.5087
71 D A 0.0000
72 E A -0.8341
73 D A -1.1406
74 E A -1.9320
75 Y A 0.0000
76 E A -1.6485
77 M A 0.0000
78 E A -1.3391
79 S A -1.4371
80 P A -1.2214
81 N A -1.1801
82 I A -0.4444
83 T A -0.9821
84 D A -1.9849
85 T A -1.2561
86 M A -1.1387
87 K A -1.7018
88 F A 0.0000
89 F A -0.8793
90 L A 0.0000
91 Y A -0.2043
92 V A 0.0000
93 L A 0.0000
94 E A -1.4443
95 S A -0.8218
96 L A 0.0000
97 P A -0.5164
98 S A -0.3847
99 P A 0.0000
100 T A -0.0721
101 L A 0.1679
102 T A 0.0573
103 C A 0.3529
104 A A 0.2307
105 L A 0.2041
106 T A -0.6025
107 N A -1.5304
108 G A -1.4945
109 S A 0.0000
110 I A 0.0000
111 E A -0.3084
112 V A 0.0000
113 Q A -0.1998
114 C A 0.0000
115 M A 0.1317
116 I A -0.5692
117 P A -1.2221
118 E A -2.4571
119 H A -2.1747
120 Y A 0.0000
121 N A -2.4332
122 S A -1.6398
123 H A -1.2179
124 R A -1.2611
125 G A -0.7880
126 L A -0.0551
127 I A 0.0000
128 M A 0.2999
129 Y A -0.1621
130 S A -1.2784
131 W A 0.0000
132 D A -2.5678
133 C A -1.8757
134 P A -1.2378
135 M A -1.4146
136 E A -2.6319
137 Q A -2.0896
138 C A 0.0000
139 K A -3.4906
140 R A -3.1293
141 N A -2.0615
142 S A -1.1958
143 T A -0.3525
144 S A -0.3678
145 I A 0.0000
146 Y A 0.4128
147 F A 0.0000
148 K A -2.4459
149 M A -1.8762
150 E A -3.1073
151 N A -3.2078
152 D A -2.8938
153 L A -1.6918
154 P A -1.3324
155 Q A -1.7853
156 K A -1.9643
157 I A 0.0000
158 Q A -1.2827
159 C A 0.0000
160 T A -0.7937
161 L A 0.0000
162 S A -0.0154
163 N A 0.0000
164 P A 0.4580
165 L A 0.6634
166 F A 0.1149
167 N A -0.8243
168 T A -0.6500
169 T A -0.7311
170 S A -0.2095
171 S A -0.5989
172 I A -0.1666
173 I A -0.2168
174 L A 0.0000
175 T A -0.1504
176 T A 0.1841
177 C A 0.0000
178 I A 0.6539
179 P A -0.0980
180 S A -0.5538
181 S A -0.8125
182 G A -1.4609
183 H A -2.1160
184 S A -2.2853
185 R A -3.3486
186 H A -3.0060
187 R A -2.8971
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