Project name: bjklhgujklg

Status: done

Started: 2025-10-08 02:52:36
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:18)
Show buried residues

Minimal score value
-4.2635
Maximal score value
0.8877
Average score
-1.1539
Total score value
-420.036

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 -2.6208
2 I E 0.0000
3 D E -2.5043
4 E E -2.9465
5 D E -2.0765
6 I E 0.0000
7 R E -1.5879
8 N E -1.6007
9 L E 0.0000
10 I E 0.0000
11 L E 0.0000
12 E E -1.2680
13 R E 0.0000
14 R E -0.9325
15 S E -1.0115
16 E E -1.4836
17 V E -0.7090
18 Y E 0.0000
19 K E -1.0798
20 F E 0.6399
21 P E -0.6742
22 E E -1.5847
23 D E -0.8471
24 F E 0.0000
25 Y E 0.0000
26 K E -2.7593
27 L E 0.0000
28 P E -1.4149
29 G E -1.6240
30 I E 0.0000
31 D E -2.9020
32 F E 0.0000
33 T E -2.5217
34 D E -3.2875
35 E E -3.3121
36 E E -2.7203
37 W E 0.0000
38 K E -3.0366
39 A E -2.2266
40 F E 0.0000
41 V E -0.9196
42 N E -1.7445
43 G E -1.7516
44 G E -1.3578
45 I E -1.3379
46 D E -2.4152
47 I E 0.0000
48 E E -2.8846
49 K E -2.8543
50 M E 0.0000
51 G E -2.1119
52 A E 0.0000
53 A E -1.6239
54 R E -1.7446
55 V E 0.0000
56 N E -1.3581
57 A E -1.5013
58 M E 0.0000
59 L E 0.0000
60 D E -1.8562
61 Q E -0.8214
62 L E 0.0000
63 F E 0.0000
64 D E 0.0000
65 D E -0.4985
66 F E 0.0000
67 E E 0.0000
68 L E 0.0367
69 A E 0.0000
70 M E 0.0000
71 I E 0.0000
72 G E -1.2622
73 K E -0.9580
74 A E 0.0000
75 K E 0.0000
76 E E -2.2091
77 N E -1.5430
78 Y E 0.0000
79 Y E -0.8123
80 N E -2.1058
81 D E -2.6114
82 N E -3.4320
83 K E -3.7769
84 L E -3.2403
85 K E -3.7274
86 K E -4.2472
87 E E -3.8888
88 M E -2.6027
89 K E -2.7444
90 F E 0.0000
91 Y E -1.1381
92 E E -1.6998
93 Y E -1.3309
94 F E 0.0000
95 D E -1.3390
96 E E -1.8545
97 F E -1.4215
98 K E 0.0000
99 R E -2.1311
100 E E -2.6656
101 Q E 0.0000
102 L E 0.0000
103 K E -2.7419
104 K E -2.6359
105 W E 0.0000
106 L E 0.0000
107 D E -3.3425
108 N E -2.9260
109 Y E -2.3536
110 R E -3.1181
111 D E -3.0637
112 D E -1.9079
113 V E 0.0000
114 I E -1.4135
115 G E -1.0807
116 G E 0.0000
117 T E -0.8335
118 G E -1.1124
119 R E -1.0311
120 A E 0.0000
121 Y E 0.8628
122 T E -0.0959
123 A E -1.0935
124 S E -0.8970
125 G E -0.7402
126 N E -0.7327
127 Y E 0.4506
128 I E 0.1381
129 A E -0.4863
130 N E -1.5018
131 A E -0.7368
132 Y E -0.8811
133 V E 0.0000
134 E E -0.7210
135 V E 0.0000
136 A E 0.0000
137 L E 0.0000
138 E E -1.3662
139 S E -0.7464
140 S E 0.0000
141 S E -0.3251
142 L E 0.0671
143 G E -0.3579
144 S E -0.4509
145 G E -0.6565
146 S E -0.3341
147 Y E -0.2017
148 L E 0.0000
149 L E -0.0794
150 R E -0.4425
151 M E 0.0000
152 R E -0.4695
153 F E 0.0000
154 T E 0.0000
155 D E -1.0989
156 Y E -0.5960
157 S E 0.0000
158 K E -2.2296
159 G E -1.8592
160 Q E -2.2495
161 E E -2.1941
162 P E -1.5875
163 M E -1.3506
164 P E -1.2365
165 S E -1.1359
166 G E -1.6795
167 R E -2.4779
168 Q E -3.0336
169 N E -2.7464
170 R E -2.4053
171 R E 0.0000
172 D E -2.6985
173 W E 0.0000
174 I E 0.0000
175 E E -1.9475
176 N E -2.1879
177 N E 0.0000
178 L E -1.6311
179 D E -2.3589
180 K E -1.8399
181 L E 0.0000
182 K E -1.4237
1 K F -2.7057
2 I F 0.0000
3 D F -2.5169
4 E F -2.8681
5 D F -1.9748
6 I F 0.0000
7 R F 0.0000
8 N F -1.3059
9 L F 0.0000
10 I F 0.0000
11 L F -0.5066
12 E F -1.2501
13 R F 0.0000
14 R F -0.7952
15 S F -0.7974
16 E F -0.9430
17 V F -0.5102
18 Y F 0.0000
19 K F -0.9892
20 F F 0.6639
21 P F -0.5557
22 E F -1.4072
23 D F -0.7751
24 F F 0.0000
25 Y F 0.0000
26 K F -2.5038
27 L F 0.0000
28 P F -1.3714
29 G F -1.6504
30 I F 0.0000
31 D F -2.7940
32 F F 0.0000
33 T F -2.3573
34 D F -3.0084
35 E F -3.2033
36 E F -2.6506
37 W F 0.0000
38 K F -2.9484
39 A F -2.1736
40 F F 0.0000
41 V F -0.7505
42 N F -1.7003
43 G F -1.6982
44 G F -1.3501
45 I F -1.3328
46 D F -2.4684
47 I F 0.0000
48 E F -3.0134
49 K F -2.9277
50 M F 0.0000
51 G F -2.0943
52 A F 0.0000
53 A F -1.5489
54 R F -1.7612
55 V F 0.0000
56 N F -1.4455
57 A F -1.6506
58 M F 0.0000
59 L F 0.0000
60 D F -2.3073
61 Q F -1.0808
62 L F 0.0000
63 F F 0.0000
64 D F 0.0000
65 D F -0.4419
66 F F 0.0000
67 E F 0.0000
68 L F -0.1695
69 A F 0.0000
70 M F 0.0000
71 I F 0.0000
72 G F -1.3675
73 K F -1.1252
74 A F 0.0000
75 K F -1.5875
76 E F -2.5933
77 N F -1.8513
78 Y F 0.0000
79 Y F -1.0310
80 N F -2.3285
81 D F -2.9078
82 N F -3.5372
83 K F -3.8422
84 L F -3.3612
85 K F -3.7590
86 K F -4.2635
87 E F -3.9209
88 M F -2.6904
89 K F -2.8385
90 F F 0.0000
91 Y F -1.2985
92 E F -2.1283
93 Y F -1.5756
94 F F 0.0000
95 D F 0.0000
96 E F -2.1042
97 F F -1.5729
98 K F 0.0000
99 R F -2.2307
100 E F -2.7496
101 Q F 0.0000
102 L F 0.0000
103 K F -2.8208
104 K F -2.7738
105 W F 0.0000
106 L F 0.0000
107 D F -3.3873
108 N F -2.9671
109 Y F -2.3703
110 R F -3.1212
111 D F -3.0475
112 D F -1.8842
113 V F 0.0000
114 I F -1.3778
115 G F -1.0819
116 G F 0.0000
117 T F -0.8823
118 G F -1.1470
119 R F -1.0464
120 A F 0.0000
121 Y F 0.8877
122 T F -0.0477
123 A F -1.0180
124 S F -0.8606
125 G F -0.7369
126 N F -0.7255
127 Y F 0.4549
128 I F 0.1312
129 A F -0.5375
130 N F -1.6492
131 A F -0.7358
132 Y F -0.8883
133 V F 0.0000
134 E F -0.7471
135 V F 0.0000
136 A F 0.0000
137 L F 0.0000
138 E F -1.2858
139 S F -0.6974
140 S F 0.0000
141 S F -0.3512
142 L F -0.0162
143 G F -0.3979
144 S F -0.4721
145 G F -0.6659
146 S F -0.3615
147 Y F -0.2080
148 L F 0.0000
149 L F -0.0481
150 R F -0.3983
151 M F 0.0000
152 R F -0.5003
153 F F 0.0000
154 T F -0.6704
155 D F -1.1315
156 Y F -0.6061
157 S F 0.0000
158 K F -2.3640
159 G F -1.9114
160 Q F -2.2778
161 E F -2.2380
162 P F -1.6402
163 M F -1.3992
164 P F -1.2287
165 S F -1.1309
166 G F -1.6735
167 R F -2.4672
168 Q F -3.0117
169 N F -2.7168
170 R F -2.3772
171 R F 0.0000
172 D F -2.6648
173 W F 0.0000
174 I F 0.0000
175 E F -1.9239
176 N F -2.1793
177 N F 0.0000
178 L F -1.6697
179 D F -2.3843
180 K F -1.8830
181 L F 0.0000
182 K F -1.4931
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Laboratory of Theory of Biopolymers 2018