Project name: 8bb37dd640ea92d

Status: done

Started: 2025-05-08 21:19:27
Settings
Chain sequence(s) A: IQLTQSPSFLSASVGDRVTITCKASQNVDTNVAWYQQKPGKAPKALIYSASYRYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNNYPFTFGQGTKLEIKGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAYISSDSSAIYYADTVKGRFTISRDNAKNSLYLQMNSLRDEDTAVYYCGRGRENIYYGSRLDYWGQGTTVTVSS
input PDB
Selected Chain(s) A
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 A 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                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)
Show buried residues

Minimal score value
-3.5794
Maximal score value
1.717
Average score
-0.629
Total score value
-152.8485

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 I A -0.7205
2 Q A -1.5615
3 L A 0.0000
4 T A -1.1927
5 Q A 0.0000
6 S A -0.2849
7 P A 0.1987
8 S A 0.3935
9 F A 1.3402
10 L A 0.3951
11 S A -0.5278
12 A A 0.0000
13 S A -0.7389
14 V A -0.0550
15 G A -0.8521
16 D A -1.5122
17 R A -2.2069
18 V A 0.0000
19 T A -0.5927
20 I A 0.0000
21 T A -0.7424
22 C A 0.0000
23 K A -2.3826
24 A A 0.0000
25 S A -1.7306
26 Q A -2.4442
27 N A -2.7910
28 V A 0.0000
29 D A -2.7327
30 T A -1.4404
31 N A -1.2755
32 V A 0.0000
33 A A 0.0000
34 W A 0.0000
35 Y A 0.0000
36 Q A 0.0000
37 Q A 0.0000
38 K A -1.3670
39 P A -1.0529
40 G A -1.2529
41 K A -1.7461
42 A A -1.2024
43 P A 0.0000
44 K A -1.2489
45 A A 0.0000
46 L A 0.0000
47 I A 0.0000
48 Y A -0.0536
49 S A -0.4260
50 A A 0.0000
51 S A -0.0574
52 Y A 0.5359
53 R A -0.9430
54 Y A -0.5769
55 S A -0.5724
56 G A -0.7791
57 V A 0.0000
58 P A -0.6524
59 S A -0.7469
60 R A -0.9365
61 F A 0.0000
62 S A -0.5179
63 G A -0.3369
64 S A -0.4990
65 G A -1.2664
66 S A -1.7485
67 G A -2.2738
68 T A -2.2820
69 D A -2.3989
70 F A 0.0000
71 T A -0.7150
72 L A 0.0000
73 T A -0.5877
74 I A 0.0000
75 S A -1.2787
76 S A -1.1981
77 L A 0.0000
78 Q A -0.8970
79 P A -0.8704
80 E A -1.5418
81 D A 0.0000
82 F A -0.5498
83 A A 0.0000
84 T A -0.4573
85 Y A 0.0000
86 Y A 0.0000
87 C A 0.0000
88 Q A 0.0000
89 Q A 0.0000
90 Y A -0.1389
91 N A -1.0006
92 N A -0.3106
93 Y A 0.4512
94 P A -0.0551
95 F A 0.0000
96 T A -0.4742
97 F A 0.0000
98 G A 0.0000
99 Q A -1.4763
100 G A 0.0000
101 T A 0.0000
102 K A -0.4032
103 L A 0.0000
104 E A -0.8876
105 I A -0.4911
106 K A -1.7629
107 G A -1.2929
108 G A -1.2454
109 G A -1.1887
110 G A -1.0014
111 S A -0.8530
112 G A -1.0979
113 G A -1.5089
114 G A -1.3568
115 G A -1.1755
116 S A -1.2677
117 G A -1.1413
118 G A -1.2778
119 G A -1.4456
120 G A -1.4438
121 S A -1.7456
122 E A -2.3159
123 V A 0.0000
124 Q A -0.8098
125 L A 0.2818
126 V A 1.2524
127 E A 0.1540
128 S A -0.3685
129 G A -1.0412
130 G A -0.4262
131 G A 0.2595
132 L A 1.1980
133 V A -0.2141
134 Q A -1.6309
135 P A -2.3271
136 G A -1.8086
137 G A -1.1733
138 S A -1.4833
139 L A -1.0756
140 R A -2.2436
141 L A 0.0000
142 S A -0.4038
143 C A 0.0000
144 A A 0.0035
145 A A 0.0000
146 S A -0.8290
147 G A -1.1326
148 F A -0.4692
149 T A -0.2306
150 F A 0.0000
151 S A -0.9579
152 S A -0.2749
153 F A -0.1238
154 G A 0.2437
155 M A 0.0000
156 H A 0.0000
157 W A 0.0000
158 V A 0.0000
159 R A 0.0000
160 Q A -0.8614
161 A A -1.2191
162 P A -0.9921
163 G A -1.4953
164 K A -2.3278
165 G A -1.5671
166 L A 0.0000
167 E A -1.1649
168 W A 0.0000
169 V A 0.0000
170 A A 0.0000
171 Y A 0.0000
172 I A 0.0000
173 S A 0.1681
174 S A -0.6682
175 D A -2.1034
176 S A -1.0277
177 S A -0.5772
178 A A 0.2564
179 I A 1.3645
180 Y A 0.8022
181 Y A -0.2487
182 A A 0.0000
183 D A -2.2374
184 T A -1.6521
185 V A 0.0000
186 K A -2.4792
187 G A -1.7894
188 R A -1.5822
189 F A 0.0000
190 T A -0.8093
191 I A 0.0000
192 S A -0.1376
193 R A 0.0000
194 D A -1.5411
195 N A -1.8462
196 A A -1.3344
197 K A -2.2861
198 N A -1.7915
199 S A 0.0000
200 L A 0.0000
201 Y A -0.5543
202 L A 0.0000
203 Q A -1.7422
204 M A 0.0000
205 N A -2.2146
206 S A -1.6006
207 L A 0.0000
208 R A -3.2689
209 D A -3.5794
210 E A -3.1244
211 D A 0.0000
212 T A -1.1890
213 A A 0.0000
214 V A 0.0055
215 Y A 0.0000
216 Y A 0.0000
217 C A 0.0000
218 G A 0.0000
219 R A 0.0000
220 G A 0.0000
221 R A -0.9637
222 E A -1.9756
223 N A -0.7848
224 I A 1.7170
225 Y A 1.6626
226 Y A 1.3860
227 G A 0.0000
228 S A 0.0000
229 R A 0.0000
230 L A 0.0000
231 D A -0.5339
232 Y A -0.5043
233 W A -0.3414
234 G A 0.0000
235 Q A -1.2111
236 G A -0.6710
237 T A -0.3067
238 T A 0.0759
239 V A 0.0000
240 T A -0.3721
241 V A 0.0000
242 S A -1.3689
243 S A -0.7470
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Laboratory of Theory of Biopolymers 2018