Project name: lanm_linked_B12

Status: done

Started: 2026-07-27 12:58:03
Settings
Chain sequence(s) A: APTTTTKVDIAAFDPDKDGTIDLKEALAAGSAAFDKLDPDKDGTLDAKELKGRVSEADLKKLDPDNDGTLEKDEYLAAVRAQFKAANPDNDGTIDARELASPAGSALVNLIRGGGGSGGGGSAPTTTTKVDIAAFDPDKDGTIDLKEALAAGSAAFDKLDPDKDGTLDAKELKGRVSEADLKKLDPDNDGTLEKDEYLAAVRAQFKAANPDNDGTIDARELASPAGSALVNLIRC
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX 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 Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-4.1843
Maximal score value
0.0
Average score
-1.496
Total score value
-351.5622

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 A A -0.0929
2 P A -0.2926
3 T A -0.4096
4 T A -0.5026
5 T A -0.6870
6 T A -1.1993
7 K A -2.3149
8 V A -1.6148
9 D A -2.0079
10 I A -1.3698
11 A A -1.3067
12 A A -0.7636
13 F A 0.0000
14 D A 0.0000
15 P A -1.9170
16 D A -3.3010
17 K A -3.5534
18 D A -3.4754
19 G A -2.2323
20 T A -1.9288
21 I A 0.0000
22 D A -1.4605
23 L A -1.2019
24 K A -1.7596
25 E A 0.0000
26 A A 0.0000
27 L A -0.4814
28 A A -0.1900
29 A A -0.5223
30 G A 0.0000
31 S A -0.8916
32 A A -1.1707
33 A A 0.0000
34 F A 0.0000
35 D A -3.5322
36 K A -3.3273
37 L A 0.0000
38 D A 0.0000
39 P A -2.7875
40 D A -3.7449
41 K A -4.1798
42 D A -3.6542
43 G A -2.9409
44 T A -2.5811
45 L A 0.0000
46 D A -2.2252
47 A A -2.2944
48 K A -2.9818
49 E A -2.4134
50 L A 0.0000
51 K A -3.1427
52 G A -2.2624
53 R A -1.7713
54 V A -1.7450
55 S A -2.1773
56 E A -3.3409
57 A A -2.1693
58 D A -2.5819
59 L A 0.0000
60 K A -4.0526
61 K A -3.3649
62 L A -2.1119
63 D A 0.0000
64 P A -2.5036
65 D A -3.4958
66 N A -3.7967
67 D A -3.5702
68 G A -2.7599
69 T A -2.3193
70 L A 0.0000
71 E A -2.6132
72 K A -2.3498
73 D A -2.4720
74 E A -1.8832
75 Y A 0.0000
76 L A -1.0286
77 A A -1.0434
78 A A 0.0000
79 V A 0.0000
80 R A -1.9126
81 A A -1.2434
82 Q A -1.1134
83 F A 0.0000
84 K A -2.5753
85 A A -1.4867
86 A A 0.0000
87 N A 0.0000
88 P A -2.1689
89 D A -3.3267
90 N A -3.4997
91 D A -3.2175
92 G A -2.4094
93 T A -2.0091
94 I A 0.0000
95 D A -1.6955
96 A A -1.7526
97 R A -2.2778
98 E A -1.6055
99 L A 0.0000
100 A A -1.3251
101 S A -0.6498
102 P A -0.3852
103 A A -0.5347
104 G A 0.0000
105 S A -0.3196
106 A A -0.2838
107 L A 0.0000
108 V A 0.0000
109 N A -0.9230
110 L A -0.4527
111 I A 0.0000
112 R A -1.7620
113 G A 0.0000
114 G A -1.7216
115 G A -1.4559
116 G A -1.4191
117 S A -1.2325
118 G A -1.2135
119 G A -1.2570
120 G A -1.2760
121 G A -1.2687
122 S A -1.1979
123 A A -0.9063
124 P A -0.6733
125 T A -0.6303
126 T A -0.6233
127 T A -0.9716
128 T A -1.2582
129 K A -2.3626
130 V A -1.6702
131 D A -1.9905
132 I A -1.5092
133 A A -1.2897
134 A A -0.5190
135 F A -0.6704
136 D A 0.0000
137 P A -1.8655
138 D A -3.2774
139 K A -3.5252
140 D A -3.4498
141 G A -2.2108
142 T A -1.8975
143 I A 0.0000
144 D A -1.4313
145 L A -1.1906
146 K A -1.7258
147 E A 0.0000
148 A A 0.0000
149 L A -0.4722
150 A A -0.1662
151 A A -0.0603
152 G A 0.0000
153 S A -0.9102
154 A A -0.9265
155 A A 0.0000
156 F A 0.0000
157 D A -3.4169
158 K A -2.9957
159 L A 0.0000
160 D A 0.0000
161 P A -2.7654
162 D A -3.7426
163 K A -4.1843
164 D A -3.6572
165 G A -2.9445
166 T A -2.5433
167 L A 0.0000
168 D A -2.0735
169 A A -2.2884
170 K A -2.8133
171 E A -2.3433
172 L A 0.0000
173 K A -2.6641
174 G A -2.0326
175 R A -1.6707
176 V A -1.5839
177 S A -2.0295
178 E A -3.0689
179 A A -2.3613
180 D A -2.5315
181 L A 0.0000
182 K A -4.0087
183 K A -3.3539
184 L A -2.0838
185 D A 0.0000
186 P A -2.4754
187 D A -3.4883
188 N A -3.7884
189 D A -3.5649
190 G A -2.7450
191 T A -2.2696
192 L A 0.0000
193 E A -2.6038
194 K A -2.3530
195 D A -2.4718
196 E A -1.8684
197 Y A 0.0000
198 L A -1.0370
199 A A -1.0294
200 A A 0.0000
201 V A 0.0000
202 R A -1.8784
203 A A -1.1944
204 Q A -1.0992
205 F A 0.0000
206 K A -2.5617
207 A A -1.4768
208 A A 0.0000
209 N A 0.0000
210 P A -2.1599
211 D A -3.3336
212 N A -3.4973
213 D A -3.2142
214 G A -2.2307
215 T A -2.0009
216 I A 0.0000
217 D A -1.7097
218 A A -1.7647
219 R A -2.2937
220 E A -1.6159
221 L A 0.0000
222 A A -1.3580
223 S A -0.6616
224 P A -0.3412
225 A A -0.4939
226 G A 0.0000
227 S A -0.2940
228 A A -0.2766
229 L A 0.0000
230 V A -0.4468
231 N A -0.7378
232 L A 0.0000
233 I A 0.0000
234 R A -0.7197
235 C A -0.3269
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Laboratory of Theory of Biopolymers 2018