Project name: 975e15c21381c0d

Status: done

Started: 2026-07-26 08:51:27
Settings
Chain sequence(s) D: EVPDNPPNEIYATAQQKLQDGNWRQAITQLEALDNRYPFGPYSQQVQLDLIYAYYKNADLPLAQAAIDRFIRLNPTHPNIDYVMYMRGLTNMALDDSALQGFFGVDRSDRDPQHARAAFSDFSKLVRGYPNSQYTTDATKRLVFLKDRLAKYEYSVAEYYTERGAWVAVVNRIEGMLRDYPDTQATRDALPLMENAYRQMQMNAQAEKVAKIIAANSS
input PDB
Selected Chain(s) D
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)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D 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 Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-3.0444
Maximal score value
3.0362
Average score
-0.8294
Total score value
-180.8003

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
7 E D -1.9951
8 V D -1.5651
9 P D -1.9381
10 D D -2.8675
11 N D -2.5352
12 P D -1.9462
13 P D -1.6630
14 N D -2.0100
15 E D -2.3476
16 I D 0.0000
17 Y D -1.0892
18 A D -1.1067
19 T D -1.2869
20 A D 0.0000
21 Q D -1.5956
22 Q D -2.3772
23 K D -2.5709
24 L D -2.0768
25 Q D -2.6901
26 D D -2.9732
27 G D -2.3664
28 N D -2.4131
29 W D -1.9349
30 R D -2.6686
31 Q D -2.2310
32 A D 0.0000
33 I D 0.0000
34 T D -1.4292
35 Q D -1.2108
36 L D 0.0000
37 E D -1.5391
38 A D 0.0000
39 L D 0.0000
40 D D -1.2978
41 N D -1.7833
42 R D -1.5129
43 Y D 0.0334
44 P D 0.2238
45 F D 1.5374
46 G D 0.6135
47 P D 0.0197
48 Y D -0.1398
49 S D -0.1045
50 Q D -0.7161
51 Q D -0.9204
52 V D 0.0000
53 Q D -0.7132
54 L D -0.2450
55 D D 0.0000
56 L D 0.0000
57 I D 0.0000
58 Y D 0.3960
59 A D 0.0000
60 Y D 0.0000
61 Y D -0.0762
62 K D -1.2176
63 N D -1.2078
64 A D -0.3317
65 D D -0.3071
66 L D 0.1274
67 P D 0.3274
68 L D 0.9152
69 A D 0.0000
70 Q D -0.4072
71 A D -0.3776
72 A D -0.4625
73 I D 0.0000
74 D D -1.8190
75 R D -2.3056
76 F D 0.0000
77 I D -1.0510
78 R D -2.0699
79 L D -0.6778
80 N D -0.8833
81 P D -0.7454
82 T D -0.6075
83 H D -0.7287
84 P D -1.0090
85 N D -1.4584
86 I D 0.0000
87 D D -0.8761
88 Y D -0.3903
89 V D 0.0000
90 M D -0.3807
91 Y D 0.0000
92 M D 0.0000
93 R D -0.3859
94 G D 0.0000
95 L D 0.0000
96 T D 0.0000
97 N D 0.0000
98 M D -0.3537
99 A D -0.3177
100 L D -0.3523
101 D D -1.6650
102 D D -1.8388
103 S D -0.3422
104 A D 0.8142
105 L D 2.1227
106 Q D 0.9034
107 G D 0.7896
108 F D 3.0362
109 F D 2.7347
110 G D 0.8657
111 V D 0.3642
112 D D -1.9997
113 R D -2.5235
114 S D 0.0000
115 D D -2.6074
116 R D -2.9235
117 D D -3.0307
118 P D -2.2939
119 Q D -2.3017
120 H D -1.5747
121 A D 0.0000
122 R D -1.6050
123 A D -0.7522
124 A D 0.0000
125 F D 0.1934
126 S D -0.5724
127 D D 0.0000
128 F D 0.0000
129 S D -1.1694
130 K D -2.1406
131 L D 0.0000
132 V D -1.3927
133 R D -2.4989
134 G D -1.7163
135 Y D -1.0545
136 P D -1.3275
137 N D -1.7409
138 S D -1.2142
139 Q D -1.5016
140 Y D -0.7001
141 T D -1.2373
142 T D -1.2916
143 D D -1.5165
144 A D 0.0000
145 T D -0.3744
146 K D -1.1440
147 R D -0.1910
148 L D 0.6262
149 V D 1.7993
150 F D 2.0525
151 L D 0.0000
152 K D 0.0688
153 D D -0.2129
154 R D 0.0000
155 L D 0.0000
156 A D 0.0000
157 K D -1.4042
158 Y D -1.2776
159 E D -0.5701
160 Y D -0.7819
161 S D -0.5064
162 V D -0.2226
163 A D 0.0000
164 E D -1.2886
165 Y D -0.2422
166 Y D -0.3978
167 T D -1.1491
168 E D -2.4842
169 R D -2.4860
170 G D -1.3789
171 A D 0.0189
172 W D 0.1483
173 V D 1.5930
174 A D 0.3642
175 V D 0.0000
176 V D -0.2453
177 N D -1.2971
178 R D -1.4233
179 I D 0.0000
180 E D -2.1640
181 G D -2.1168
182 M D 0.0000
183 L D -1.9855
184 R D -3.0444
185 D D -2.9711
186 Y D -2.2683
187 P D -2.2292
188 D D -2.7064
189 T D 0.0000
190 Q D -2.3384
191 A D 0.0000
192 T D 0.0000
193 R D -1.8569
194 D D -1.6927
195 A D 0.0000
196 L D 0.0000
197 P D -0.4724
198 L D -0.6956
199 M D 0.0000
200 E D -1.5155
201 N D -1.3773
202 A D 0.0000
203 Y D 0.0000
204 R D -2.2380
205 Q D -1.9899
206 M D -0.8232
207 Q D -1.8556
208 M D -1.1553
209 N D -2.4263
210 A D -1.6965
211 Q D -2.1166
212 A D 0.0000
213 E D -2.8898
214 K D -2.9122
215 V D 0.0000
216 A D -1.5845
217 K D -2.0930
218 I D -0.3250
219 I D -0.5341
220 A D -0.4878
221 A D -0.3397
222 N D -0.8974
223 S D -0.6697
224 S D -0.7494
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Laboratory of Theory of Biopolymers 2018