Project name: Q4S

Status: done

Started: 2026-08-16 07:17:53
Chain sequence(s) A: QCISPGTGYNNGYFYSYWNDGHGGVTYCNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVEGYFSSGSASITVS
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)
Show buried residues
Minimal score value
-2.2791
Maximal score value
1.9434
Average score
-0.4511
Total score value
-85.7131
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 -0.7991
2 C A 0.3025
3 I A 0.2702
4 S A 0.0423
5 P A -0.2659
6 G A -0.2685
7 T A 0.0864
8 G A 0.4095
9 Y A 0.7788
10 N A -0.6130
11 N A -1.4874
12 G A -0.7897
13 Y A -0.2453
14 F A 0.0000
15 Y A 0.2131
16 S A 0.2062
17 Y A 0.0000
18 W A 0.0033
19 N A -0.7671
20 D A -1.3140
21 G A -1.4844
22 H A -1.6489
23 G A -1.4376
24 G A -1.2191
25 V A -0.9465
26 T A -0.3272
27 Y A 0.0000
28 C A -0.1171
29 N A 0.0000
30 G A -0.8609
31 P A -1.1054
32 G A -1.1507
33 G A 0.0000
34 Q A -0.8726
35 F A 0.0000
36 S A -0.5280
37 V A 0.0000
38 N A -1.5437
39 W A 0.0000
40 S A -1.1763
41 N A -1.1371
42 S A 0.0000
43 G A 0.0000
44 N A 0.0054
45 F A 0.0000
46 V A 0.3217
47 G A 0.0000
48 G A 0.0000
49 K A 0.0000
50 G A 0.0000
51 W A 0.0109
52 Q A -0.3175
53 P A -0.4797
54 G A -0.6830
55 T A -0.9023
56 K A -1.7842
57 N A -1.8088
58 K A -0.5336
59 V A 0.6823
60 I A 0.0000
61 N A -0.8853
62 F A 0.0000
63 S A -0.7828
64 G A -0.6079
65 S A -0.7366
66 Y A -0.9067
67 N A -1.7630
68 P A -1.5588
69 N A -1.7447
70 G A -0.5922
71 N A 0.1776
72 S A 0.0000
73 Y A 0.1718
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 -1.0524
82 N A -1.6749
83 P A -1.0163
84 L A -0.1953
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 -0.8289
93 F A -0.3141
94 G A -0.5944
95 T A -0.2807
96 Y A 0.3295
97 N A -0.2999
98 P A 0.0000
99 S A 0.0000
100 T A -0.4915
101 G A -0.7423
102 A A -0.8809
103 T A -0.9467
104 K A -1.7700
105 L A -0.9788
106 G A -1.4146
107 E A -1.9216
108 V A -0.8755
109 T A -0.4868
110 S A 0.0000
111 D A -0.9546
112 G A -0.8775
113 S A 0.0000
114 V A -0.6619
115 Y A 0.0000
116 D A -1.2294
117 I A 0.0000
118 Y A 0.0000
119 R A -1.1715
120 T A -0.8986
121 Q A -0.8933
122 R A -0.4762
123 V A 0.5428
124 N A -0.9661
125 Q A -0.9149
126 P A -0.2835
127 S A 0.3078
128 I A 1.1943
129 I A 1.9434
130 G A 0.4388
131 T A -0.1674
132 A A -0.0148
133 T A -0.1808
134 F A 0.0000
135 Y A -0.0217
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 -1.9701
143 N A -2.2791
144 H A -1.8601
145 R A -1.2484
146 S A -0.7270
147 S A -0.7598
148 G A -0.8046
149 S A -0.5002
150 V A 0.0000
151 N A -0.5556
152 T A 0.0000
153 A A -1.3426
154 N A -1.2532
155 H A 0.0000
156 F A 0.0000
157 N A -2.1218
158 A A -1.6634
159 W A 0.0000
160 A A -1.3646
161 Q A -1.9895
162 Q A -1.7249
163 G A -1.2255
164 L A 0.0000
165 T A -0.7188
166 L A -0.5797
167 G A -0.8599
168 T A -0.7638
169 M A -0.6122
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 0.0000
178 G A 0.0000
179 Y A 1.6141
180 F A 1.5858
181 S A 0.0000
182 S A -1.0493
183 G A -1.5926
184 S A -1.3072
185 A A 0.0000
186 S A -0.6793
187 I A 0.0000
188 T A -0.7039
189 V A 0.0000
190 S A -0.4241
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