Project name: 1b87fd072252f84

Status: done

Started: 2025-02-21 07:17:32
Chain sequence(s) A: DFVLDNEGNPLSNGGTYYILSDITAFGGIRAAPTGNERCPLTVVQSRNELDKGIGTIISSPFRIRFIAEGNPLRLKFDSFAVIMLCVGIPTEWSVVEDLPEGPAVKIGENKDAVDGWFRIERVSDDEFNNYKLVFCTQQAEDDKCGDIGISIDHDDGTRRLVVSKNKPLVVQFQKVDKESL
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)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues
Minimal score value
-4.3384
Maximal score value
3.5231
Average score
-0.8141
Total score value
-147.3567
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 D A -1.4088
2 F A 0.2507
3 V A 0.0000
4 L A -0.6917
5 D A 0.0000
6 N A -1.8107
7 E A -2.6445
8 G A -1.8997
9 N A -1.8337
10 P A -0.8464
11 L A 0.0000
12 S A -0.6580
13 N A -0.8675
14 G A -0.9699
15 G A -0.5930
16 T A -0.9793
17 Y A 0.0000
18 Y A -0.4413
19 I A 0.0000
20 L A -0.3193
21 S A 0.0270
22 D A 0.3010
23 I A 1.2520
24 T A 0.3456
25 A A -0.2352
26 F A -0.8509
27 G A 0.0000
28 G A 0.0000
29 I A 0.0000
30 R A -0.9609
31 A A 0.0000
32 A A -0.5268
33 P A -1.0483
34 T A 0.0000
35 G A -1.9251
36 N A -2.1747
37 E A -2.0303
38 R A -1.9348
39 C A 0.0267
40 P A -0.1448
41 L A -0.3970
42 T A 0.0000
43 V A 0.0000
44 V A 0.0000
45 Q A 0.0000
46 S A 0.0000
47 R A -2.5735
48 N A -2.5013
49 E A -1.9448
50 L A -0.3078
51 D A -1.3519
52 K A -1.3564
53 G A -0.9585
54 I A -0.5236
55 G A -0.7778
56 T A 0.0000
57 I A -0.4865
58 I A 0.0000
59 S A -0.5918
60 S A -0.3809
61 P A -0.0375
62 F A 0.6260
63 R A -1.1156
64 I A -0.4679
65 R A -1.6238
66 F A -0.3060
67 I A 0.0000
68 A A -0.3916
69 E A -1.0036
70 G A -1.1201
71 N A -0.2698
72 P A -0.1959
73 L A 0.0000
74 R A -1.2798
75 L A 0.0000
76 K A -1.7038
77 F A 0.0000
78 D A -0.8270
79 S A -0.3841
80 F A 0.4570
81 A A 1.3166
82 V A 2.6708
83 I A 3.5231
84 M A 3.4272
85 L A 3.0288
86 C A 0.0000
87 V A 3.1025
88 G A 0.9528
89 I A 0.5658
90 P A -0.6420
91 T A -1.0277
92 E A -1.7188
93 W A 0.0000
94 S A -1.2582
95 V A 0.0000
96 V A 0.0000
97 E A -2.4159
98 D A -2.5173
99 L A -1.1830
100 P A -0.7662
101 E A -0.5511
102 G A -0.8532
103 P A -1.0062
104 A A 0.0000
105 V A 0.0000
106 K A 0.0000
107 I A 0.0000
108 G A -1.2808
109 E A -2.6840
110 N A -2.6990
111 K A -3.2366
112 D A -3.6237
113 A A -2.4952
114 V A -1.5894
115 D A -2.2660
116 G A 0.0000
117 W A -0.5943
118 F A 0.0000
119 R A -0.7696
120 I A 0.0000
121 E A -1.2100
122 R A -1.1340
123 V A -0.1012
124 S A -1.1280
125 D A -2.3502
126 D A -2.0141
127 E A -1.8328
128 F A -0.1755
129 N A -0.9077
130 N A -0.6633
131 Y A 0.0000
132 K A -0.6012
133 L A 0.0000
134 V A 0.0000
135 F A 0.0000
136 C A 0.0000
137 T A -2.1083
138 Q A -2.6903
139 Q A -2.8836
140 A A -3.1431
141 E A -4.2344
142 D A -4.3384
143 D A -4.0152
144 K A -3.7983
145 C A -2.1710
146 G A -1.3175
147 D A -1.5528
148 I A 0.0000
149 G A 0.0000
150 I A 0.0943
151 S A 0.3281
152 I A 0.5426
153 D A -1.0661
154 H A -1.9547
155 D A -2.8027
156 D A -2.3188
157 G A -1.4685
158 T A -1.0411
159 R A -0.2704
160 R A 0.0336
161 L A 0.0000
162 V A 0.0000
163 V A -0.5451
164 S A -1.6210
165 K A -2.7832
166 N A -2.9247
167 K A -2.7334
168 P A -1.3929
169 L A 0.0000
170 V A -0.0664
171 V A 0.0000
172 Q A -0.2776
173 F A 0.0000
174 Q A -1.7427
175 K A -2.3234
176 V A 0.0000
177 D A -3.3347
178 K A -3.2155
179 E A -2.9021
180 S A -1.3959
181 L A 0.1750
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