Project name: debfef0cc1726a0

Status: done

Started: 2024-12-20 12:07:01
Settings
Chain sequence(s) G: IQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSYSLITFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVSWYVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)
Show buried residues

Minimal score value
-3.5386
Maximal score value
3.104
Average score
-0.625
Total score value
-131.873

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 -0.1549
3 Q G -1.6017
4 M G 0.0000
5 T G -1.2296
6 Q G 0.0000
7 S G -0.8099
8 P G -0.6700
9 S G -0.9186
10 S G -0.8237
11 L G -0.5491
12 S G -0.9731
13 A G -1.0735
14 S G -1.0402
15 V G -0.4400
16 G G -0.8357
17 D G -1.8521
18 R G -2.3657
19 V G 0.0000
20 T G -0.6215
21 I G 0.0000
22 T G -0.9073
23 C G 0.0000
24 R G -2.6360
25 A G 0.0000
26 S G -1.6248
27 Q G -1.3401
28 S G -0.2131
29 V G 1.3585
36 S G 0.6495
37 S G -0.0529
38 A G 0.2864
39 V G 0.0000
40 A G 0.0000
41 W G 0.0000
42 Y G -0.1415
43 Q G 0.0000
44 Q G -1.7266
45 K G -2.3482
46 P G -1.6711
47 G G -1.8032
48 K G -2.5060
49 A G -1.5578
50 P G -1.4917
51 K G -1.5718
52 L G 0.1864
53 L G 0.0000
54 I G 0.0000
55 Y G 1.5839
56 S G 0.3294
57 A G 0.0000
65 S G -0.1163
66 S G 0.7366
67 L G 1.4669
68 Y G 1.6576
69 S G 0.4749
70 G G -0.0014
71 V G 0.2278
72 P G -0.0761
74 S G -0.3572
75 R G -0.8472
76 F G 0.0000
77 S G -0.2870
78 G G -0.4436
79 S G -1.3784
80 R G -2.5693
83 S G -1.7288
84 G G -1.2230
85 T G -1.4302
86 D G -1.8955
87 F G 0.0000
88 T G -1.0833
89 L G 0.0000
90 T G -0.6206
91 I G 0.0000
92 S G -1.3518
93 S G -1.1834
94 L G 0.0000
95 Q G -1.4177
96 P G -1.9549
97 E G -2.4819
98 D G 0.0000
99 F G 0.0000
100 A G 0.0000
101 T G -0.9770
102 Y G 0.0000
103 Y G -0.0310
104 C G 0.0000
105 Q G 0.0000
106 Q G 0.0000
107 S G 1.5819
108 S G 1.7384
109 Y G 1.9572
114 S G 1.5906
115 L G 2.8267
116 I G 3.1040
117 T G 1.5953
118 F G 1.4888
119 G G 0.0000
120 Q G -1.2020
121 G G 0.0000
122 T G 0.0000
123 K G -1.7022
124 V G 0.0000
125 E G -1.1400
126 I G 0.0000
127 K G -1.5298
128 R G -0.9406
129 T G 0.0755
130 V G 1.2453
131 A G 0.6249
132 A G 0.1940
133 P G -0.1940
134 S G -0.0731
135 V G 0.0000
136 F G 1.6435
137 I G 1.4240
138 F G 1.5097
139 P G 0.1361
140 P G 0.0000
141 S G -1.7508
142 D G -3.1958
143 E G -3.4348
144 Q G -2.4181
145 L G -2.4838
146 K G -2.9624
147 S G -1.8830
148 G G -1.3191
149 T G -0.9808
150 A G 0.0000
151 S G 0.0582
152 V G 0.0000
153 V G 0.6426
154 C G 0.0000
155 L G 0.7773
156 L G 0.0000
157 N G -0.4388
158 N G -1.2049
159 F G 0.0000
160 Y G -0.6484
161 P G -1.1486
162 R G -2.1155
163 E G -2.7360
164 A G -2.0818
165 K G -2.1260
166 V G -1.0045
167 S G -0.1576
168 W G 0.0000
169 Y G 0.1726
170 V G 0.0000
171 D G -1.6343
172 N G -1.2539
173 A G -0.0386
174 L G 1.0366
175 Q G -0.0446
176 S G -0.5795
177 G G -1.4303
178 N G -1.8335
179 S G -1.7756
180 Q G -2.3931
181 E G -1.9918
182 S G -0.9609
183 V G -0.3192
184 T G -0.8910
185 E G -2.1355
186 Q G 0.0000
187 D G -2.4159
188 S G -2.4974
189 K G -2.5396
190 D G -1.8058
191 S G 0.0000
192 T G 0.0000
193 Y G 0.0000
194 S G -0.7194
195 L G -0.5500
196 S G -0.1898
197 S G 0.0000
198 T G -0.8147
199 L G 0.0000
200 T G -0.7093
201 L G -0.7236
202 S G -0.8952
203 K G -1.9166
204 A G -1.7688
205 D G -2.3336
206 Y G 0.0000
207 E G -3.4257
208 K G -3.5386
209 H G -2.7436
210 K G -2.7633
211 V G -0.9317
212 Y G 0.0000
213 A G 0.0000
214 C G 0.0000
215 E G -0.6490
216 V G 0.0000
217 T G -1.1232
218 Q G -1.3390
219 G G -1.1072
220 T G -0.4550
221 T G -0.2933
222 S G -0.4017
223 V G 0.1470
224 T G -0.1301
225 K G -0.2541
226 S G -0.0579
227 F G -0.4868
228 N G -1.5138
229 R G -2.0973
230 G G -1.6510
231 E G -2.0309
232 C G -0.3670
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Laboratory of Theory of Biopolymers 2018