Project name: MUT3

Status: done

Started: 2026-08-16 07:30:20
Chain sequence(s) A: QCIQPGTGYNNGYFYSYWNDGHGGVTYCNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWTRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQLGLTLGTMDYQIVAVEGYFSSGSADITVS
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)
Show buried residues
Minimal score value
-2.3249
Maximal score value
1.9076
Average score
-0.4672
Total score value
-88.7715
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 -0.7341
2 C A 0.2157
3 I A -0.0190
4 Q A -0.8204
5 P A -0.7038
6 G A -0.4512
7 T A 0.0218
8 G A 0.4387
9 Y A 0.8431
10 N A -0.4786
11 N A -1.4012
12 G A -0.7394
13 Y A -0.1754
14 F A 0.0000
15 Y A 0.2489
16 S A 0.2275
17 Y A 0.0000
18 W A -0.1081
19 N A -0.9045
20 D A -1.4413
21 G A -1.5399
22 H A -1.7685
23 G A -1.6000
24 G A -1.2045
25 V A -1.0606
26 T A -0.4238
27 Y A 0.0000
28 C A -0.2519
29 N A 0.0000
30 G A -0.8656
31 P A -1.0311
32 G A -1.0568
33 G A 0.0000
34 Q A -0.9160
35 F A 0.0000
36 S A -0.8112
37 V A 0.0000
38 N A -1.5580
39 W A 0.0000
40 S A -1.1767
41 N A -1.1680
42 S A 0.0000
43 G A 0.0000
44 N A 0.0218
45 F A 0.0000
46 V A 0.2887
47 G A 0.0000
48 G A 0.0000
49 K A 0.0000
50 G A 0.0000
51 W A 0.0721
52 Q A -0.3050
53 P A -0.4638
54 G A 0.0000
55 T A -1.0166
56 K A -1.8438
57 N A -2.0154
58 K A -1.0853
59 V A 0.0140
60 I A 0.0000
61 N A -1.0439
62 F A 0.0000
63 S A -0.8302
64 G A -0.7845
65 S A -0.9668
66 Y A -1.0991
67 N A -1.8683
68 P A -1.5748
69 N A -1.7357
70 G A -0.6167
71 N A 0.1336
72 S A 0.0000
73 Y A 0.0000
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 T A 0.0000
81 R A -0.9758
82 N A -1.6304
83 P A -0.9797
84 L A -0.1465
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 -0.9023
93 F A -0.3971
94 G A -0.7080
95 T A -0.3088
96 Y A 0.2533
97 N A -0.3306
98 P A 0.0000
99 S A 0.0000
100 T A -0.4933
101 G A -0.7318
102 A A -0.8663
103 T A -0.8713
104 K A -1.6242
105 L A -0.5120
106 G A -1.0558
107 E A -1.7337
108 V A -0.9180
109 T A -0.4766
110 S A 0.0000
111 D A -0.9250
112 G A -0.8803
113 S A 0.0000
114 V A -0.6752
115 Y A 0.0000
116 D A -1.1927
117 I A 0.0000
118 Y A 0.0000
119 R A -1.1367
120 T A -0.9962
121 Q A -1.1043
122 R A -0.7484
123 V A 0.3971
124 N A -1.0533
125 Q A -1.0449
126 P A -0.4381
127 S A 0.2486
128 I A 1.1613
129 I A 1.9076
130 G A 0.4011
131 T A -0.2212
132 A A -0.0259
133 T A -0.2785
134 F A 0.0000
135 Y A -0.1236
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 -2.0313
143 N A -2.3249
144 H A -1.9288
145 R A -1.2743
146 S A -0.8014
147 S A -0.7421
148 G A -0.7949
149 S A -0.6232
150 V A 0.0000
151 N A -0.7951
152 T A 0.0000
153 A A -1.4490
154 N A -1.3281
155 H A 0.0000
156 F A 0.0000
157 N A -1.9276
158 A A -1.3440
159 W A 0.0000
160 A A -0.9287
161 Q A -1.3615
162 L A -0.3996
163 G A -0.5799
164 L A 0.0000
165 T A -0.5074
166 L A -0.5145
167 G A -0.8125
168 T A -0.7244
169 M A -0.5667
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 1.4474
180 F A 1.5475
181 S A 0.0000
182 S A -1.0470
183 G A -1.5757
184 S A -1.4398
185 A A 0.0000
186 D A -1.3830
187 I A 0.0000
188 T A -0.8071
189 V A 0.0000
190 S A -0.4828
Download PDB file
View in 3Dmol