Project name: 173c4f86ece6afc

Status: done

Started: 2024-12-20 12:06:53
Settings
Chain sequence(s) G: IQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSYSLITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVSWYVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGE
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)
Show buried residues

Minimal score value
-3.5952
Maximal score value
3.2695
Average score
-0.6707
Total score value
-140.838

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
2 I G 0.7671
3 Q G -1.3045
4 M G 0.0000
5 T G -1.2182
6 Q G 0.0000
7 S G -0.8426
8 P G -0.6678
9 S G -0.9162
10 S G -0.9059
11 L G -0.7395
12 S G -1.2868
13 A G -1.1831
14 S G -1.0324
15 V G 0.0433
16 G G -0.6129
17 D G -1.8047
18 R G -2.3027
19 V G 0.0000
20 T G -0.6451
21 I G 0.0000
22 T G -0.8221
23 C G 0.0000
24 R G -2.6732
25 A G 0.0000
26 S G -1.4720
27 Q G -1.7089
28 S G -1.1265
29 V G 0.0000
36 S G -0.3669
37 S G -0.4375
38 A G 0.3176
39 V G 0.0000
40 A G 0.7209
41 W G 0.0000
42 Y G -0.0991
43 Q G 0.0000
44 Q G -1.4788
45 K G -1.9413
46 P G -1.5373
47 G G -1.5572
48 K G -2.4139
49 A G -1.4565
50 P G -1.4118
51 K G -1.5789
52 L G 0.0422
53 L G 0.0000
54 I G 0.0000
55 Y G 1.1957
56 S G 0.1560
57 A G 0.0000
65 S G -0.1167
66 S G 0.4689
67 L G 1.0123
68 Y G 1.1597
69 S G 0.2643
70 G G -0.1486
71 V G 0.0544
72 P G -0.1504
74 S G -0.3575
75 R G -0.7247
76 F G 0.0000
77 S G -0.2481
78 G G -0.3089
79 S G -0.9369
80 R G -1.6868
83 S G -1.2982
84 G G -1.4137
85 T G -1.6502
86 D G -1.7412
87 F G 0.0000
88 T G -0.8405
89 L G 0.0000
90 T G -0.6023
91 I G 0.0000
92 S G -1.3088
93 S G -0.9537
94 L G 0.0000
95 Q G -1.0073
96 P G -1.6712
97 E G -1.9792
98 D G 0.0000
99 F G -1.2329
100 A G 0.0000
101 T G -0.8334
102 Y G 0.0000
103 Y G -0.0682
104 C G 0.0000
105 Q G 0.0000
106 Q G 0.0000
107 S G 1.5426
108 S G 1.4821
109 Y G 2.1786
114 S G 1.6874
115 L G 3.1169
116 I G 3.2695
117 T G 1.8376
118 F G 1.4279
119 G G -0.4774
120 Q G -1.1492
121 G G -0.7840
122 T G 0.0000
123 K G -1.5275
124 V G 0.0000
125 E G -1.5840
126 I G 0.0000
127 K G -1.8922
128 R G -1.1330
129 T G 0.0157
130 V G 1.1652
131 A G 0.5880
132 A G 0.2327
133 P G 0.0239
134 S G -0.0613
135 V G 0.0000
136 F G 1.4578
137 I G 1.3210
138 F G 1.4918
139 P G 0.0618
140 P G 0.0000
141 S G -1.7491
142 D G -3.2051
143 E G -3.4480
144 Q G -2.5081
145 L G -2.5245
146 K G -3.0338
147 S G -1.9156
148 G G -1.5545
149 T G -1.2138
150 A G 0.0000
151 S G 0.0362
152 V G 0.0000
153 V G 0.7031
154 C G 0.0000
155 L G 0.7371
156 L G 0.0000
157 N G -0.4195
158 N G -1.1771
159 F G 0.0000
160 Y G -0.8432
161 P G -1.4705
162 R G -2.7467
163 E G -3.1340
164 A G -2.2062
165 K G -2.1297
166 V G -0.8874
167 S G -0.1963
168 W G 0.0000
169 Y G 0.0031
170 V G 0.0000
171 D G -2.1020
172 N G -1.2844
173 A G -0.1615
174 L G 0.9626
175 Q G -0.0049
176 S G -0.2959
177 G G -0.9879
178 N G -0.9273
179 S G -1.3829
180 Q G -2.2905
181 E G -2.2905
182 S G -1.2572
183 V G -0.6977
184 T G -1.1884
185 E G -2.2511
186 Q G 0.0000
187 D G -2.3770
188 S G -2.3772
189 K G -2.6632
190 D G -1.8426
191 S G 0.0000
192 T G 0.0000
193 Y G 0.0000
194 S G -0.9053
195 L G -0.8455
196 S G -0.3502
197 S G 0.0000
198 T G -0.6215
199 L G 0.0000
200 T G -0.5306
201 L G -0.7102
202 S G -1.3398
203 K G -2.2834
204 A G -2.0114
205 D G -2.7738
206 Y G 0.0000
207 E G -3.1211
208 K G -3.5952
209 H G -2.9797
210 K G -3.0867
211 V G -1.3854
212 Y G 0.0000
213 A G -0.5051
214 C G 0.0000
215 E G -0.7062
216 V G 0.0000
217 T G -1.0684
218 Q G -1.3038
219 G G -1.0534
220 T G -0.4239
221 T G -0.2714
222 S G -0.3923
223 V G 0.0842
224 T G -0.2458
225 K G -0.4561
226 S G -0.3343
227 F G 0.0000
228 N G -2.0910
229 R G -2.4046
230 G G -1.9488
231 E G -2.5447
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Laboratory of Theory of Biopolymers 2018