Project name: fvghhkghjklgb

Status: done

Started: 2025-10-08 02:54:14
Settings
Chain sequence(s) E: KIDEDIRNLILERRSEVYKFPEDFYKLPGIDFTDEEWKAFVNGGIDIEKMGAARVNAMLDQLFDDFELAMIGKAKENYYNDNKLKKEMKFYEYFDEFKREQLKKWLDNYRDDVIGGTGRAYTASGNYIANAYVEVALESSSLGSGSYLLRMRFTDYSKGQEPMPSGRQNRRDWIENNLDKLK
F: KIDEDIRNLILERRSEVYKFPEDFYKLPGIDFTDEEWKAFVNGGIDIEKMGAARVNAMLDQLFDDFELAMIGKAKENYYNDNKLKKEMKFYEYFDEFKREQLKKWLDNYRDDVIGGTGRAYTASGNYIANAYVEVALESSSLGSGSYLLRMRFTDYSKGQEPMPSGRQNRRDWIENNLDKLK
input PDB
Selected Chain(s) E,F
Distance of aggregation 10 Å
FoldX usage Yes
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:24)
Show buried residues

Minimal score value
-4.4567
Maximal score value
0.8812
Average score
-1.1947
Total score value
-434.8638

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 K E -2.8108
2 I E 0.0000
3 D E -2.6812
4 E E -3.0022
5 D E -2.0034
6 I E 0.0000
7 R E -1.5488
8 N E -1.4014
9 L E 0.0000
10 I E 0.0000
11 L E -0.5694
12 E E -1.2674
13 R E 0.0000
14 R E -0.9872
15 S E -1.1499
16 E E -1.7557
17 V E -0.8764
18 Y E 0.0000
19 K E -1.1060
20 F E 0.6900
21 P E -0.3477
22 E E -1.3252
23 D E -0.7045
24 F E 0.0000
25 Y E 0.0000
26 K E -2.4269
27 L E 0.0000
28 P E -1.3355
29 G E -1.5908
30 I E 0.0000
31 D E -2.7909
32 F E 0.0000
33 T E -2.4980
34 D E -3.2469
35 E E -3.3651
36 E E -2.8109
37 W E 0.0000
38 K E -3.0593
39 A E -2.2566
40 F E 0.0000
41 V E -0.8293
42 N E -1.7587
43 G E -1.7735
44 G E -1.3683
45 I E -1.3446
46 D E -2.4806
47 I E 0.0000
48 E E -3.0298
49 K E -2.9109
50 M E 0.0000
51 G E -2.1099
52 A E 0.0000
53 A E -1.6403
54 R E -1.7947
55 V E 0.0000
56 N E -1.4405
57 A E -1.5840
58 M E 0.0000
59 L E 0.0000
60 D E -2.0631
61 Q E -0.9433
62 L E 0.0000
63 F E 0.0000
64 D E -0.6701
65 D E -0.4498
66 F E 0.0000
67 E E 0.0000
68 L E -0.0330
69 A E 0.0000
70 M E 0.0000
71 I E 0.0000
72 G E -1.3531
73 K E -1.1307
74 A E 0.0000
75 K E 0.0000
76 E E -2.6364
77 N E -1.9416
78 Y E 0.0000
79 Y E -1.9280
80 N E -2.7319
81 D E -3.1745
82 N E -3.7877
83 K E -3.9967
84 L E -3.5047
85 K E -4.1963
86 K E -4.3757
87 E E -3.8993
88 M E -2.5773
89 K E -2.5901
90 F E 0.0000
91 Y E -1.0287
92 E E -1.6197
93 Y E -1.3586
94 F E 0.0000
95 D E -1.4381
96 E E -1.9930
97 F E 0.0000
98 K E 0.0000
99 R E -2.3204
100 E E -2.8684
101 Q E 0.0000
102 L E 0.0000
103 K E -3.1488
104 K E -3.0035
105 W E 0.0000
106 L E -2.8705
107 D E -3.4786
108 N E -3.0338
109 Y E -2.3360
110 R E -3.2584
111 D E -3.1939
112 D E -1.8960
113 V E 0.0000
114 I E -1.3748
115 G E -1.1221
116 G E -0.6883
117 T E -0.9288
118 G E -1.1681
119 R E -1.0305
120 A E 0.0000
121 Y E 0.8812
122 T E 0.0000
123 A E -0.9770
124 S E -0.8484
125 G E -0.7644
126 N E -0.7722
127 Y E 0.3821
128 I E 0.1358
129 A E -0.5013
130 N E -1.5638
131 A E -0.8443
132 Y E 0.0000
133 V E 0.0000
134 E E -0.8663
135 V E 0.0000
136 A E 0.0000
137 L E 0.0000
138 E E -1.2677
139 S E -0.6747
140 S E 0.0000
141 S E -0.2780
142 L E 0.1404
143 G E -0.2408
144 S E -0.4487
145 G E -0.6505
146 S E -0.2975
147 Y E -0.1560
148 L E 0.0000
149 L E -0.0574
150 R E -0.4354
151 M E 0.0000
152 R E -0.6632
153 F E 0.0000
154 T E 0.0000
155 D E -1.3292
156 Y E -0.8633
157 S E 0.0000
158 K E -2.2570
159 G E -1.8644
160 Q E -2.2479
161 E E -2.2709
162 P E -1.5756
163 M E -1.2207
164 P E -1.2446
165 S E -1.1407
166 G E -1.6766
167 R E -2.6320
168 Q E -3.0538
169 N E -2.8055
170 R E -2.4656
171 R E 0.0000
172 D E -2.8984
173 W E 0.0000
174 I E 0.0000
175 E E -2.2324
176 N E -2.3480
177 N E 0.0000
178 L E -1.8424
179 D E -2.4892
180 K E -2.1014
181 L E 0.0000
182 K E -1.6939
1 K F -2.7421
2 I F 0.0000
3 D F -2.5905
4 E F -2.9399
5 D F -2.0454
6 I F 0.0000
7 R F -1.4653
8 N F -1.3043
9 L F 0.0000
10 I F 0.0000
11 L F -0.4338
12 E F -1.0659
13 R F 0.0000
14 R F -0.7100
15 S F -0.7757
16 E F -0.8255
17 V F -0.5070
18 Y F 0.0000
19 K F -1.1390
20 F F 0.3216
21 P F -0.5715
22 E F -1.5794
23 D F -0.8403
24 F F 0.0000
25 Y F 0.0000
26 K F -2.5260
27 L F 0.0000
28 P F -1.3629
29 G F -1.6406
30 I F 0.0000
31 D F -2.8212
32 F F 0.0000
33 T F -2.3988
34 D F -2.9977
35 E F -3.2202
36 E F -2.7445
37 W F 0.0000
38 K F -3.0105
39 A F -2.2250
40 F F 0.0000
41 V F -0.8891
42 N F -1.7910
43 G F -1.7362
44 G F -1.3471
45 I F -1.2895
46 D F -2.3363
47 I F 0.0000
48 E F -2.9748
49 K F -2.8668
50 M F 0.0000
51 G F -2.1302
52 A F 0.0000
53 A F -1.6507
54 R F -1.8270
55 V F 0.0000
56 N F -1.5017
57 A F -1.6895
58 M F 0.0000
59 L F 0.0000
60 D F -2.3074
61 Q F -1.0740
62 L F 0.0000
63 F F 0.0000
64 D F 0.0000
65 D F -0.4139
66 F F 0.0000
67 E F 0.0000
68 L F 0.1256
69 A F 0.0000
70 M F 0.0000
71 I F 0.0000
72 G F -1.2050
73 K F 0.0000
74 A F 0.0000
75 K F 0.0000
76 E F -2.7459
77 N F -2.0329
78 Y F 0.0000
79 Y F -1.9963
80 N F -2.8195
81 D F -3.2534
82 N F -3.8259
83 K F -4.0379
84 L F -3.6592
85 K F -4.3303
86 K F -4.4567
87 E F -4.0233
88 M F -2.8268
89 K F -2.9264
90 F F 0.0000
91 Y F -1.2638
92 E F -2.1194
93 Y F -1.6827
94 F F 0.0000
95 D F 0.0000
96 E F -2.3188
97 F F -1.5872
98 K F 0.0000
99 R F -2.2824
100 E F -2.7811
101 Q F 0.0000
102 L F 0.0000
103 K F -2.7686
104 K F -2.6474
105 W F 0.0000
106 L F 0.0000
107 D F -3.3372
108 N F -2.9082
109 Y F -2.3095
110 R F -3.0933
111 D F -3.1517
112 D F -1.8713
113 V F 0.0000
114 I F -1.3811
115 G F -1.0888
116 G F 0.0000
117 T F -0.9072
118 G F -1.2309
119 R F -1.1856
120 A F 0.0000
121 Y F 0.8368
122 T F -0.0997
123 A F -1.0203
124 S F -0.8686
125 G F -0.7565
126 N F -0.7660
127 Y F 0.3419
128 I F 0.0535
129 A F -0.6049
130 N F -1.6670
131 A F 0.0000
132 Y F 0.0000
133 V F 0.0000
134 E F -0.7714
135 V F 0.0000
136 A F 0.0000
137 L F 0.0000
138 E F -1.3034
139 S F -0.7645
140 S F -0.4357
141 S F -0.3748
142 L F -0.0228
143 G F -0.3029
144 S F -0.4739
145 G F -0.6755
146 S F -0.3727
147 Y F -0.2237
148 L F 0.0000
149 L F -0.0561
150 R F -0.3806
151 M F 0.0000
152 R F -0.4688
153 F F 0.0000
154 T F 0.0000
155 D F 0.0000
156 Y F -0.4775
157 S F 0.0000
158 K F -2.1398
159 G F -1.8186
160 Q F -2.2605
161 E F -2.2904
162 P F -1.5599
163 M F -1.2069
164 P F -1.2216
165 S F -1.1011
166 G F -1.6488
167 R F -2.6125
168 Q F -3.0269
169 N F -2.7210
170 R F -2.4146
171 R F -2.7344
172 D F -2.7369
173 W F 0.0000
174 I F 0.0000
175 E F -1.9819
176 N F -2.2118
177 N F 0.0000
178 L F -1.6463
179 D F -2.3403
180 K F -1.8550
181 L F 0.0000
182 K F -1.3057
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Laboratory of Theory of Biopolymers 2018