Project name: dff8e445cf5c95b

Status: done

Started: 2026-02-24 16:42:01
Chain sequence(s) A: SKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLEDAKKEGPYDVVVLPGGNLGAQNLSESAAVKEILKEQENRKGLIAAICAGPTALLAHEIGCGSKVTTHPLAKDKMMNGGHYTYSENRVEKDGLILTSRGPGTSFEFALAIVEALNGKEVAAQVKAPLVL
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]                                                (00:00:00)
[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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues
Minimal score value
-3.8208
Maximal score value
2.3312
Average score
-0.8386
Total score value
-155.1462
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
3 S A -1.2305
4 K A -1.8363
5 R A -2.0711
6 A A 0.0000
7 L A 0.0000
8 V A 0.0000
9 I A 0.0000
10 L A 0.0000
11 A A 0.0000
12 K A -1.5895
13 G A 0.0000
14 A A 0.0000
15 E A 0.0000
16 E A 0.0000
17 M A 1.2594
18 E A 0.0000
19 T A 0.0000
20 V A 1.3274
21 I A 0.6930
22 P A 0.0000
23 V A 0.0000
24 D A -1.5494
25 V A 0.0000
26 M A 0.0000
27 R A -3.2324
28 R A -3.3269
29 A A -2.3771
30 G A -2.1271
31 I A 0.0000
32 K A -2.8637
33 V A 0.0000
34 T A -1.3269
35 V A 0.0000
36 A A 0.0000
37 G A 0.0000
38 L A -0.4595
39 A A -0.7377
40 G A -1.4119
41 K A -2.0193
42 D A -2.2538
43 P A -0.8596
44 V A 0.0000
45 Q A -1.3039
46 C A 0.0000
47 S A -1.4695
48 R A -2.2679
49 D A -2.1665
50 V A 0.2959
51 V A 1.2505
52 I A 0.8191
53 C A 0.1035
54 P A -0.8707
55 D A -1.9400
56 A A -1.8257
57 S A 0.0000
58 L A 0.0000
59 E A -2.3010
60 D A -3.2111
61 A A 0.0000
62 K A -3.1791
63 K A -3.8208
64 E A -3.5629
65 G A -2.0943
66 P A -1.6640
67 Y A 0.0000
68 D A -1.6738
69 V A 0.0000
70 V A 0.0000
71 V A 0.0000
72 L A 0.0000
73 P A 0.0000
74 G A 0.0000
75 G A 0.0000
76 N A -0.5419
77 L A 0.3021
78 G A 0.0000
79 A A 0.0000
80 Q A -1.1024
81 N A -1.2555
82 L A 0.0000
83 S A -1.1429
84 E A -2.2079
85 S A -1.2866
86 A A -0.8136
87 A A -0.8842
88 V A 0.0000
89 K A -1.8161
90 E A -1.4362
91 I A -1.1642
92 L A 0.0000
93 K A -2.3787
94 E A -2.2127
95 Q A 0.0000
96 E A -2.3953
97 N A -2.7756
98 R A -2.5635
99 K A -2.8351
100 G A -1.7834
101 L A 0.0000
102 I A 0.0000
103 A A 0.0000
104 A A 0.0000
105 I A 0.0000
106 C A -0.3087
107 A A 0.0000
108 G A 0.0000
109 P A 0.0000
110 T A 0.0000
111 A A 0.0000
112 L A 0.0000
113 L A -0.8906
114 A A -1.1168
115 H A 0.0000
116 E A -1.8954
117 I A 0.0000
118 G A -0.7471
119 C A -0.5017
120 G A -0.8034
121 S A -1.0837
122 K A -1.5786
123 V A 0.0000
124 T A 0.0000
125 T A 0.0000
126 H A -0.7734
127 P A -0.4723
128 L A 0.3360
129 A A -1.0457
130 K A -2.1568
131 D A -3.1095
132 K A -2.9533
133 M A 0.0000
134 M A -2.2265
135 N A -2.8347
136 G A -1.9083
137 G A -1.5936
138 H A -1.6381
139 Y A 0.0000
140 T A -0.6067
141 Y A -1.1456
142 S A 0.0000
143 E A -2.9408
144 N A -2.9840
145 R A -2.8095
146 V A -1.6536
147 E A 0.0000
148 K A -2.0374
149 D A -1.9749
150 G A -1.2938
151 L A -0.5917
152 I A 0.0000
153 L A 0.0000
154 T A 0.0000
155 S A 0.0000
156 R A -1.3590
157 G A 0.0000
158 P A -0.0502
159 G A -0.5883
160 T A 0.0000
161 S A 0.0000
162 F A 0.4392
163 E A -0.6149
164 F A 0.0000
165 A A 0.0000
166 L A -0.5827
167 A A -0.7888
168 I A 0.0000
169 V A 0.0000
170 E A -1.8763
171 A A -1.0678
172 L A -0.9452
173 N A -1.3883
174 G A -1.7863
175 K A -2.6962
176 E A -2.3080
177 V A -1.6160
178 A A -1.9311
179 A A -1.7769
180 Q A -2.0644
181 V A 0.0000
182 K A -1.1369
183 A A -0.1679
184 P A 0.1001
185 L A 1.0027
186 V A 2.3312
187 L A 2.2348
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