Project name: 8F6O

Status: done

Started: 2026-03-23 04:51:40
Settings
Chain sequence(s) A: PVQLVQSGAEVKKPGASVKVSCKASGFSLSSYGVSWVRQAPGQGLEWMGAISYDGITYYASWAKSRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARGDYYDDYVYVYALDIWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
C: SCDVQLYIKRQSEHSILAGDPFELECPVKYCANRPHVTWCKLNGTTCVKLEDRQTSWKEEKNISFFILHFEPVLPNDNGSYRCSANFQSNNLIESHSTTLYV
B: EIVLTQSPGTLSLSPGERATLSCQASQSISTALAWYQQKPGQAPRLLIYAASTLASGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQGYSSSNLDNVFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHHQGLSSPVTKSFNRGEC
input PDB
Selected Chain(s) A,C,B
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 all 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                                          (00:04:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:00)
Show buried residues

Minimal score value
-3.6167
Maximal score value
1.5536
Average score
-0.7267
Total score value
-393.884

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 P A -0.1689
2 V A 0.3152
3 Q A -0.3316
4 L A 0.0000
5 V A 0.1598
6 Q A 0.0000
7 S A -0.5383
8 G A -0.4056
9 A A -0.0638
10 E A -0.3121
11 V A 0.0806
12 K A -1.3711
13 K A -2.3560
14 P A -2.2297
15 G A -1.5702
16 A A -1.2544
17 S A -1.3241
18 V A 0.0000
19 K A -1.9771
20 V A 0.0000
21 S A -0.5627
22 C A 0.0000
23 K A -0.7372
24 A A 0.0000
25 S A -0.3386
26 G A -0.2854
27 F A 0.0386
28 S A -0.0902
29 L A 0.0000
30 S A -0.4309
31 S A -0.2512
32 Y A 0.0932
33 G A 0.0000
34 V A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A -0.4735
39 Q A -0.7398
40 A A -1.0350
41 P A -0.8552
42 G A -1.2924
43 Q A -1.8104
44 G A -1.2467
45 L A 0.0000
46 E A -1.2634
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A 0.0000
53 Y A 0.0000
54 D A -0.3929
55 G A -0.5194
56 I A 0.0000
57 T A -0.0183
58 Y A -0.2013
59 Y A -0.7166
60 A A 0.0000
61 S A -1.3813
62 W A -0.8273
63 A A 0.0000
64 K A -1.8358
65 S A -1.0840
66 R A -0.9176
67 V A 0.0000
68 T A -0.7411
69 M A 0.0000
70 T A -0.4053
71 R A -0.8955
72 D A -1.2665
73 T A -0.8163
74 S A -0.6522
75 T A -0.6621
76 S A -0.7690
77 T A 0.0000
78 V A 0.0000
79 Y A -0.5982
80 M A 0.0000
81 E A -1.3272
82 L A 0.0000
83 S A -1.0222
84 S A -1.1291
85 L A 0.0000
86 R A -2.8278
87 S A -2.2549
88 E A -2.4239
89 D A 0.0000
90 T A -0.8308
91 A A 0.0000
92 V A 0.2049
93 Y A 0.0000
94 Y A 0.0000
95 C A 0.0000
96 A A 0.0000
97 R A 0.0000
98 G A 0.0000
99 D A -0.2399
100 Y A -0.2353
101 Y A -0.1906
102 D A -1.1230
103 D A -2.0413
104 Y A -0.7010
105 V A -0.1658
106 Y A -0.1640
107 V A 0.0000
108 Y A 0.0000
109 A A 0.0000
110 L A 0.0000
111 D A -0.5119
112 I A -0.0813
113 W A -0.2502
114 G A 0.0000
115 Q A -1.1295
116 G A -0.6004
117 T A 0.0000
118 L A 0.2329
119 V A 0.0000
120 T A 0.0000
121 V A 0.0000
122 S A -1.3529
123 S A -1.1425
124 A A -0.6702
125 S A -0.7440
126 T A -0.8296
127 K A -1.5505
128 G A -1.5609
129 P A -0.7769
130 S A -0.6021
131 V A 0.0000
132 F A 0.0000
133 P A -1.3042
134 L A 0.0000
135 A A -0.9243
136 P A -0.7867
137 C A -0.9736
138 S A -1.3225
139 R A -2.2084
140 S A -1.5558
141 T A -1.1522
142 S A -1.2378
143 E A -1.9876
144 S A -1.0826
145 T A -0.9241
146 A A 0.0000
147 A A 0.0000
148 L A 0.0000
149 G A 0.0000
150 C A 0.0000
151 L A 0.0000
152 V A 0.0000
153 K A 0.0000
154 D A -0.4992
155 Y A 0.0000
156 F A 0.0000
157 P A 0.0000
158 E A -0.4878
159 P A -0.8256
160 V A -0.7997
161 T A -0.6643
162 V A -0.4280
163 S A -0.5391
164 W A 0.0000
165 N A -1.0440
166 S A -0.8016
167 G A -0.6136
168 A A -0.2792
169 L A -0.1105
170 T A -0.2084
171 S A -0.1972
172 G A -0.2820
173 V A 0.1458
174 H A -0.3288
175 T A 0.0079
176 F A 0.0000
177 P A -0.5317
178 A A 0.0276
179 V A 0.2896
180 L A 1.0877
181 Q A 0.2341
182 S A -0.0740
183 S A -0.2210
184 G A 0.0150
185 L A -0.0718
186 Y A 0.0000
187 S A 0.0000
188 L A 0.0000
189 S A 0.0000
190 S A 0.0000
191 V A 0.0000
192 V A 0.0000
193 T A -0.1196
194 V A 0.0000
195 P A -0.6681
196 S A -1.0035
197 S A -0.7251
198 S A -0.7078
199 L A -0.8726
200 G A -1.0446
201 T A -0.8532
202 K A -1.5516
203 T A -1.4237
204 Y A 0.0000
205 T A -1.9277
206 C A 0.0000
207 N A -1.8145
208 V A 0.0000
209 D A -2.1135
210 H A 0.0000
211 K A -2.7653
212 P A -1.5862
213 S A -1.9119
214 N A -2.6045
215 T A -2.1857
216 K A -2.7899
217 V A -1.9373
218 D A -2.8782
219 K A -2.4113
220 R A -2.9738
221 V A 0.0000
222 E A -2.9569
223 S A -1.9971
224 K A -2.2498
1 E B -2.2257
2 I B 0.0000
3 V B 0.5163
4 L B 0.0000
5 T B -0.1659
6 Q B -0.4979
7 S B -0.6771
8 P B -0.5825
9 G B -0.8020
10 T B -0.4836
11 L B -0.2905
12 S B -0.4602
13 L B -0.9643
14 S B -1.3964
15 P B -2.0770
16 G B -2.4163
17 E B -3.3969
18 R B -3.4236
19 A B 0.0000
20 T B -0.5454
21 L B 0.0000
22 S B -0.6908
23 C B 0.0000
24 Q B -1.0598
25 A B 0.0000
26 S B -0.4191
27 Q B -0.8332
28 S B -0.7914
29 I B 0.0000
30 S B -0.4755
31 T B -0.3782
32 A B 0.0000
33 L B 0.0000
34 A B 0.0000
35 W B 0.0000
36 Y B 0.0000
37 Q B 0.0000
38 Q B 0.0000
39 K B -1.5159
40 P B -1.4508
41 G B -1.3229
42 Q B -2.0413
43 A B -1.2865
44 P B 0.0000
45 R B -1.2270
46 L B 0.0000
47 L B 0.0000
48 I B 0.0000
49 Y B 0.3038
50 A B 0.0496
51 A B 0.0000
52 S B -0.2125
53 T B 0.1806
54 L B 0.2111
55 A B -0.1815
56 S B -0.3111
57 G B -0.5976
58 I B -0.5291
59 P B -0.9834
60 D B -2.0958
61 R B -2.0057
62 F B 0.0000
63 S B -0.6967
64 G B -0.2663
65 S B -0.7448
66 G B -1.0393
67 S B -0.8920
68 G B -0.8755
69 T B -1.2803
70 D B -2.1831
71 F B 0.0000
72 T B -0.7228
73 L B 0.0000
74 T B -0.8389
75 I B 0.0000
76 S B -2.6944
77 R B -3.6167
78 L B 0.0000
79 E B -2.6468
80 P B -1.7586
81 E B -2.2849
82 D B 0.0000
83 F B -0.6857
84 A B 0.0000
85 V B -0.1007
86 Y B 0.0000
87 Y B 0.0000
88 C B 0.0000
89 Q B 0.0000
90 Q B 0.0000
91 G B 0.0000
92 Y B 0.0000
93 S B 0.0000
94 S B -0.4300
95 S B -0.8889
96 N B -2.0702
97 L B 0.0000
98 D B -2.0838
99 N B -1.2760
100 V B 0.0000
101 F B 0.0000
102 G B 0.0000
103 G B -0.8006
104 G B -0.7077
105 T B 0.0000
106 K B -0.5871
107 V B 0.0000
108 E B 0.0000
109 I B -0.6076
110 K B -1.2425
111 R B -0.9567
112 T B -0.1070
113 V B 0.2337
114 A B 0.0595
115 A B -0.1726
116 P B 0.0000
117 S B -0.1584
118 V B 0.0000
119 F B -0.2519
120 I B 0.0000
121 F B 0.0000
122 P B -0.3956
123 P B -0.8044
124 S B -1.6575
125 D B -3.0221
126 E B -3.1878
127 Q B 0.0000
128 L B -2.1530
129 K B -2.9181
130 S B -1.8106
131 G B -1.3318
132 T B -0.9893
133 A B 0.0000
134 S B 0.0000
135 V B 0.0000
136 V B 0.0000
137 C B 0.0000
138 L B 0.0000
139 L B 0.0000
140 N B 0.0000
141 N B -0.8692
142 F B 0.0000
143 Y B 0.0000
144 P B -1.7241
145 R B -2.9617
146 E B -3.1863
147 A B -2.2794
148 K B -2.4365
149 V B -1.0825
150 Q B -0.6076
151 W B 0.0000
152 K B -0.3451
153 V B 0.0000
154 D B -1.4781
155 N B -1.1127
156 A B -0.0920
157 L B 0.7661
158 Q B -0.0865
159 S B -0.3961
160 G B -0.8696
161 N B -0.7182
162 S B -1.1217
163 Q B -1.4236
164 E B -1.9976
165 S B 0.0000
166 V B -0.9330
167 T B -1.2196
168 E B -2.2894
169 Q B -1.8564
170 D B -1.9179
171 S B -1.8848
172 K B -2.1870
173 D B -1.5931
174 S B -1.5801
175 T B 0.0000
176 Y B 0.0000
177 S B 0.0000
178 L B 0.0000
179 S B 0.0000
180 S B 0.0000
181 T B -0.6654
182 L B 0.0000
183 T B -0.3094
184 L B -0.4328
185 S B -0.8811
186 K B -2.0207
187 A B -1.6649
188 D B -2.0189
189 Y B 0.0000
190 E B -3.5322
191 K B -3.4368
192 H B -2.7691
193 K B -3.1535
194 V B -1.5378
195 Y B 0.0000
196 A B 0.0000
197 C B 0.0000
198 E B -0.7003
199 V B 0.0000
200 T B -1.2379
201 H B 0.0000
202 Q B -1.7858
203 G B -0.4733
204 L B -0.2774
205 S B -0.4740
206 S B -0.4177
207 P B -0.5811
208 V B 0.0094
209 T B -0.4802
210 K B -0.7722
211 S B -0.7244
212 F B 0.0000
213 N B -2.0770
214 R B -2.4564
215 G B -1.9524
216 E B -2.2608
217 C B -0.8729
33 S C 0.0869
34 C C 0.2081
35 D C -0.3200
36 V C 0.0000
37 Q C -0.0406
38 L C 0.0000
39 Y C -0.1355
40 I C 0.0000
41 K C -1.9405
42 R C -2.0387
43 Q C -2.2718
44 S C -1.9253
45 E C -2.3469
46 H C -0.9994
47 S C 0.0137
48 I C 0.7298
49 L C 1.5536
50 A C 0.2471
51 G C -0.9967
52 D C -1.8787
53 P C -1.8605
54 F C -1.6754
55 E C -2.5966
56 L C 0.0000
57 E C -2.0630
58 C C 0.0000
59 P C -0.6426
60 V C 0.0000
61 K C -0.3116
62 Y C -0.2942
63 C C -0.0209
64 A C -0.5736
65 N C -1.6713
66 R C -1.5924
67 P C 0.0000
68 H C -1.5062
69 V C 0.0000
70 T C -0.9235
71 W C 0.0000
72 C C 0.0000
73 K C -0.6301
74 L C -0.6411
75 N C -1.1930
76 G C -0.9962
77 T C -0.4721
78 T C -0.4052
79 C C -0.1857
80 V C -0.0141
81 K C -1.3737
82 L C -1.5897
83 E C -3.0932
84 D C -3.1584
85 R C -2.7550
86 Q C -2.6079
87 T C -1.2544
88 S C -1.1706
89 W C -1.2403
90 K C -2.5037
91 E C -3.3344
92 E C -3.1902
93 K C -3.0600
94 N C -2.3660
95 I C -1.6048
96 S C 0.0000
97 F C -1.2107
98 F C 0.0000
99 I C 0.0000
100 L C 0.0000
101 H C -2.0513
102 F C 0.0000
103 E C -2.7927
104 P C -1.9290
105 V C 0.0000
106 L C -0.1503
107 P C -0.2507
108 N C -1.4294
109 D C -0.9660
110 N C -1.1929
111 G C -0.9176
112 S C -0.7548
113 Y C 0.0000
114 R C 0.0000
115 C C 0.0000
116 S C 0.0000
117 A C 0.0000
118 N C -1.3083
119 F C -0.6743
120 Q C -1.4254
121 S C -1.3143
122 N C 0.0000
123 L C -0.3450
124 I C 0.0000
125 E C -0.1995
126 S C 0.0000
127 H C 0.0000
128 S C 0.0000
129 T C 0.0000
130 T C -1.1022
131 L C 0.0000
132 Y C 0.3997
133 V C 1.1001
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Laboratory of Theory of Biopolymers 2018