Project name: Tau51

Chain sequence(s)	H: QVQLQQSGAELVKPGASVKMSCKASGYTFTSYWMHWVKQRPGQGLEWIGNVYPGSGGTHYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCATLTAPDYWGQGTTLTVSS; L: DIVMTQSPSSLAVSAGEKVTMTCKSSQSLLNSRTRKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYFCKQSYNLYTFGGGTKLEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:27)

• Minimal score value: -3.6557
• Maximal score value: 1.1258
• Average score: -0.655
• Total score value: -148.6742

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
1	Q	H	-1.6279
2	V	H	0.0000
3	Q	H	-1.9879
4	L	H	0.0000
5	Q	H	-2.0000
6	Q	H	-1.3426
7	S	H	-0.9625
8	G	H	-0.6608
9	A	H	0.1042
11	E	H	0.3556
12	L	H	1.1258
13	V	H	-0.0383
14	K	H	-1.6132
15	P	H	-1.3316
16	G	H	-1.0994
17	A	H	-0.8487
18	S	H	-0.8725
19	V	H	-0.5570
20	K	H	-1.1943
21	M	H	0.0000
22	S	H	-0.6803
23	C	H	0.0000
24	K	H	-1.5094
25	A	H	0.0000
26	S	H	-1.2284
27	G	H	-1.1250
28	Y	H	-0.4737
29	T	H	-0.1245
30	F	H	0.0000
35	T	H	-0.3857
36	S	H	0.0256
37	Y	H	0.5246
38	W	H	0.7014
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8899
45	R	H	-1.3472
46	P	H	-1.0625
47	G	H	-1.3362
48	Q	H	-1.9316
49	G	H	-1.2492
50	L	H	0.0000
51	E	H	-1.1362
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	V	H	0.0000
57	Y	H	0.2443
58	P	H	0.0000
59	G	H	-0.4992
62	S	H	-0.4347
63	G	H	-0.6211
64	G	H	-0.5074
65	T	H	-0.5086
66	H	H	-1.2921
67	Y	H	-1.5478
68	N	H	-2.3663
69	E	H	-3.6557
70	K	H	-3.2285
71	F	H	0.0000
72	K	H	-3.0979
74	S	H	-1.7380
75	K	H	-1.5313
76	A	H	0.0000
77	T	H	-0.7205
78	L	H	0.0000
79	T	H	-0.1280
80	V	H	-0.4217
81	D	H	-1.3797
82	K	H	-2.0685
83	S	H	-1.1995
84	S	H	-0.9718
85	S	H	-1.1326
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.2360
89	M	H	0.0000
90	Q	H	-1.0199
91	L	H	0.0000
92	S	H	-0.7102
93	S	H	-0.7815
94	L	H	0.0000
95	T	H	-0.9812
96	S	H	-0.9647
97	E	H	-1.1943
98	D	H	0.0000
99	S	H	-0.3439
100	A	H	0.0000
101	V	H	0.0326
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	T	H	0.0000
107	L	H	0.4171
108	T	H	0.1619
114	A	H	0.0201
115	P	H	0.0000
116	D	H	-0.5025
117	Y	H	-0.2084
118	W	H	-0.6572
119	G	H	0.0000
120	Q	H	-1.8316
121	G	H	-0.9301
122	T	H	0.0000
123	T	H	-0.0242
124	L	H	0.0000
125	T	H	0.1161
126	V	H	0.0000
127	S	H	-0.6060
128	S	H	-0.7257
1	D	L	-1.9609
2	I	L	0.0000
3	V	L	0.7954
4	M	L	0.0000
5	T	L	-0.5678
6	Q	L	-0.8290
7	S	L	-0.7132
8	P	L	-0.5189
9	S	L	-0.6175
10	S	L	-0.6530
11	L	L	-0.2413
12	A	L	-0.5837
13	V	L	-0.9157
14	S	L	-1.2918
15	A	L	-1.2326
16	G	L	-1.3830
17	E	L	-2.0684
18	K	L	-2.3208
19	V	L	0.0000
20	T	L	-0.4584
21	M	L	0.0000
22	T	L	-0.7874
23	C	L	0.0000
24	K	L	-2.0160
25	S	L	0.0000
26	S	L	-0.9136
27	Q	L	-1.6198
28	S	L	-0.9926
29	L	L	0.0000
30	L	L	-0.8699
31	N	L	-1.6220
32	S	L	-2.0689
33	R	L	-2.7231
34	T	L	-2.2072
35	R	L	-2.8623
36	K	L	-1.7780
37	N	L	-0.5980
38	Y	L	0.0864
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9261
45	K	L	-1.3416
46	P	L	-0.9049
47	G	L	-1.4368
48	Q	L	-2.0850
49	S	L	-1.3451
50	P	L	0.0000
51	K	L	-1.4024
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.0339
56	W	L	-0.0055
57	A	L	0.0000
65	S	L	-0.5434
66	T	L	-0.5769
67	R	L	-1.6414
68	E	L	-1.3519
69	S	L	-0.9733
70	G	L	-1.0821
71	V	L	0.0000
72	P	L	-1.4410
74	D	L	-2.2431
75	R	L	-1.5320
76	F	L	0.0000
77	T	L	-0.8777
78	G	L	0.0000
79	S	L	-0.5575
80	G	L	-0.9904
83	S	L	-1.0778
84	G	L	-1.1933
85	T	L	-1.5390
86	D	L	-2.0769
87	F	L	0.0000
88	T	L	-0.6953
89	L	L	0.0000
90	T	L	-0.5279
91	I	L	0.0000
92	S	L	-1.5712
93	S	L	-1.4522
94	V	L	0.0000
95	Q	L	-1.0775
96	A	L	-1.0777
97	E	L	-1.6900
98	D	L	0.0000
99	L	L	-0.2450
100	A	L	0.0000
101	V	L	-0.2029
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	K	L	0.0000
106	Q	L	0.0000
107	S	L	0.3428
108	Y	L	0.1226
114	N	L	-1.1218
115	L	L	-0.4458
116	Y	L	0.0942
117	T	L	-0.0276
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.7678
121	G	L	-0.7065
122	T	L	0.0000
123	K	L	-0.8939
124	L	L	0.0000
125	E	L	-0.9218
126	I	L	-0.8511
127	K	L	-1.6903