Project name: 93516b0b848ff39

Status: done

Started: 2024-12-20 12:06:45
Settings
Chain sequence(s) G: MTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSYSLITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVSWYVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC
input PDB
Selected Chain(s) G
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 G 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                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)
Show buried residues

Minimal score value
-3.4498
Maximal score value
2.8803
Average score
-0.6495
Total score value
-135.7487

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
4 M G -0.5755
5 T G -0.8381
6 Q G 0.0000
7 S G -0.7382
8 P G -0.4679
9 S G -0.8212
10 S G -0.7515
11 L G -0.4142
12 S G -0.8636
13 A G 0.0000
14 S G -1.3539
15 V G -0.7004
16 G G -1.1987
17 D G -1.9331
18 R G -2.4116
19 V G 0.0000
20 T G -0.6763
21 I G 0.0000
22 T G -0.9637
23 C G 0.0000
24 R G -2.4079
25 A G 0.0000
26 S G -0.5600
27 Q G -0.1313
28 S G -0.2815
29 V G -0.6265
36 S G -0.2576
37 S G 0.1156
38 A G -0.2995
39 V G 0.0000
40 A G 0.5660
41 W G 0.0000
42 Y G 0.0444
43 Q G 0.0000
44 Q G -1.4193
45 K G -1.7161
46 P G -1.4780
47 G G -1.5891
48 K G -2.3869
49 A G -1.3962
50 P G -1.2907
51 K G -1.3195
52 L G 0.1824
53 L G 0.0000
54 I G 0.0000
55 Y G 0.9741
56 S G 0.0047
57 A G -0.5164
65 S G -0.3003
66 S G 0.4823
67 L G 1.0343
68 Y G 1.1676
69 S G 0.2811
70 G G -0.1892
71 V G 0.0761
72 P G -0.1712
74 S G -0.3738
75 R G -0.7948
76 F G 0.0000
77 S G -0.3184
78 G G -0.5379
79 S G -1.4380
80 R G -2.5970
83 S G -1.8039
84 G G -1.4970
85 T G -1.5725
86 D G -2.2118
87 F G 0.0000
88 T G -1.1240
89 L G 0.0000
90 T G -0.6261
91 I G 0.0000
92 S G -1.3883
93 S G -1.3742
94 L G 0.0000
95 Q G -0.9745
96 P G -0.9324
97 E G -1.1315
98 D G 0.0000
99 F G -1.1961
100 A G 0.0000
101 T G -0.8702
102 Y G 0.0000
103 Y G -0.0546
104 C G 0.0000
105 Q G 0.7020
106 Q G 0.0000
107 S G 1.1790
108 S G 1.3010
109 Y G 1.8137
114 S G 1.3973
115 L G 2.4122
116 I G 2.8803
117 T G 1.5232
118 F G 1.1869
119 G G 0.0000
120 Q G -1.0551
121 G G 0.0000
122 T G 0.0000
123 K G -1.4348
124 V G 0.0000
125 E G -1.6212
126 I G 0.0000
127 K G -2.3720
128 R G -1.5120
129 T G 0.1357
130 V G 1.4654
131 A G 0.6975
132 A G 0.3025
133 P G 0.0637
134 S G -0.1022
135 V G 0.0000
136 F G 1.0574
137 I G 1.0617
138 F G 1.3701
139 P G 0.0077
140 P G -0.7070
141 S G -1.8036
142 D G -3.1875
143 E G -3.3735
144 Q G -2.4805
145 L G -2.5719
146 K G -2.9702
147 S G -1.8575
148 G G -1.2027
149 T G -0.9731
150 A G 0.0000
151 S G -0.0036
152 V G 0.0000
153 V G 0.6705
154 C G 0.0000
155 L G 0.5299
156 L G 0.0000
157 N G -0.4659
158 N G -1.0272
159 F G 0.0000
160 Y G -0.4279
161 P G -1.0349
162 R G -2.6186
163 E G -3.1660
164 A G -2.2506
165 K G -2.3743
166 V G -0.9612
167 S G -0.1392
168 W G 0.0000
169 Y G 0.1545
170 V G 0.0000
171 D G -1.5288
172 N G -1.2203
173 A G -0.0282
174 L G 1.0486
175 Q G -0.0684
176 S G -0.5869
177 G G -1.4528
178 N G -1.9306
179 S G -1.8462
180 Q G -2.4694
181 E G -2.1207
182 S G -0.7199
183 V G 0.3266
184 T G -0.5073
185 E G -1.9774
186 Q G -2.8068
187 D G -3.0737
188 S G -2.4471
189 K G -2.6978
190 D G 0.0000
191 S G 0.0000
192 T G 0.0000
193 Y G 0.0000
194 S G -0.5800
195 L G 0.0000
196 S G -0.2743
197 S G 0.0000
198 T G -0.7649
199 L G 0.0000
200 T G -0.8327
201 L G 0.0000
202 S G -1.1104
203 K G -2.1607
204 A G -1.8898
205 D G -2.4566
206 Y G 0.0000
207 E G -3.4498
208 K G -3.4065
209 H G -2.5476
210 K G -2.3502
211 V G -0.6866
212 Y G 0.0000
213 A G -0.2674
214 C G 0.0000
215 E G -0.6338
216 V G 0.0000
217 T G -1.0716
218 Q G -1.1224
219 G G -0.8610
220 T G -0.4142
221 T G -0.2521
222 S G -0.3866
223 V G 0.0347
224 T G -0.3033
225 K G -0.5559
226 S G -0.2517
227 F G -0.5220
228 N G -1.4948
229 R G -2.0512
230 G G -1.7931
231 E G -2.0606
232 C G -0.4090
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Laboratory of Theory of Biopolymers 2018