Project name: GapC162_tagged_rank1_A3D_static_d10

Chain sequence(s)	A: MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSMVVKVGINGFGRIGRLAFRRIQNVEGVEVTRINDLTDPNMLAHLLKYDTTQGRFDGTVEVKEGGFEVNGQFVKVSAEREPANIDWATDGVEIVLEATGFFASKEKAEQHIHENGAKKVVILEHHHHHH
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.5575
• Maximal score value: 1.8694
• Average score: -0.8976
• Total score value: -145.4181

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	M	A	0.7722
2	G	A	-0.0913
3	S	A	-0.5531
4	S	A	-1.1366
5	H	A	-1.8473
6	H	A	-2.2584
7	H	A	-2.3975
8	H	A	-2.4147
9	H	A	-2.2328
10	H	A	-1.9037
11	S	A	-1.1545
12	S	A	-0.4647
13	G	A	0.4030
14	L	A	1.8694
15	V	A	1.7820
16	P	A	-0.0376
17	R	A	-1.6285
18	G	A	-1.5688
19	S	A	-1.1687
20	H	A	-0.6514
21	M	A	0.4929
22	A	A	0.5364
23	S	A	0.4893
24	M	A	0.7459
25	T	A	-0.1540
26	G	A	-1.0926
27	G	A	-1.3857
28	Q	A	-1.9021
29	Q	A	-1.9756
30	M	A	-0.8568
31	G	A	-1.5346
32	R	A	-2.0381
33	G	A	-0.9879
34	S	A	-0.5598
35	M	A	0.8713
36	V	A	1.0613
37	V	A	0.6780
38	K	A	-0.1658
39	V	A	0.0000
40	G	A	0.0000
41	I	A	0.0000
42	N	A	0.0000
43	G	A	0.0000
44	F	A	0.0000
45	G	A	-0.4549
46	R	A	-0.5456
47	I	A	-0.1468
48	G	A	0.0000
49	R	A	-0.3798
50	L	A	-0.1559
51	A	A	-0.3293
52	F	A	0.0000
53	R	A	-1.4356
54	R	A	-2.0041
55	I	A	-1.2804
56	Q	A	-1.9240
57	N	A	-1.9815
58	V	A	-1.1260
59	E	A	-1.5920
60	G	A	-0.2248
61	V	A	0.1365
62	E	A	-0.4898
63	V	A	0.0000
64	T	A	-0.2860
65	R	A	0.0000
66	I	A	0.0000
67	N	A	0.0000
68	D	A	-0.2949
69	L	A	0.3697
70	T	A	-0.2515
71	D	A	-1.4896
72	P	A	-1.6787
73	N	A	-1.9017
74	M	A	-0.5447
75	L	A	0.0000
76	A	A	0.0000
77	H	A	-0.5667
78	L	A	-0.0339
79	L	A	0.0000
80	K	A	-1.1484
81	Y	A	0.0163
82	D	A	0.0000
83	T	A	-0.4390
84	T	A	-0.7946
85	Q	A	-1.3327
86	G	A	-1.5999
87	R	A	-2.3284
88	F	A	0.0000
89	D	A	-2.7113
90	G	A	-1.9221
91	T	A	-1.6971
92	V	A	0.0000
93	E	A	-2.0726
94	V	A	-1.3064
95	K	A	-2.3907
96	E	A	-2.7360
97	G	A	-1.7260
98	G	A	0.0000
99	F	A	0.0000
100	E	A	-1.5650
101	V	A	0.0000
102	N	A	-2.1155
103	G	A	-1.5591
104	Q	A	-1.3450
105	F	A	-0.1033
106	V	A	0.0000
107	K	A	-1.0947
108	V	A	0.0000
109	S	A	-0.7031
110	A	A	-0.6493
111	E	A	-1.9536
112	R	A	-2.8115
113	E	A	-3.0010
114	P	A	0.0000
115	A	A	-2.1638
116	N	A	-2.6095
117	I	A	0.0000
118	D	A	-1.8313
119	W	A	0.0000
120	A	A	-1.5132
121	T	A	-0.6798
122	D	A	-0.8103
123	G	A	-0.7117
124	V	A	0.0000
125	E	A	-1.3912
126	I	A	-0.6388
127	V	A	0.0000
128	L	A	0.6498
129	E	A	0.0000
130	A	A	0.0408
131	T	A	0.2795
132	G	A	0.1703
133	F	A	1.6653
134	F	A	-0.2050
135	A	A	-0.5735
136	S	A	-1.6362
137	K	A	-3.0748
138	E	A	-3.5575
139	K	A	-2.4868
140	A	A	0.0000
141	E	A	-2.6700
142	Q	A	-1.9204
143	H	A	0.0000
144	I	A	-1.0286
145	H	A	-1.8371
146	E	A	-2.6281
147	N	A	-2.6523
148	G	A	-2.2016
149	A	A	0.0000
150	K	A	-2.8122
151	K	A	-2.1378
152	V	A	-0.6382
153	V	A	0.3851
154	I	A	0.0836
155	L	A	-0.3868
156	E	A	-2.3614
157	H	A	-2.6280
158	H	A	-2.8526
159	H	A	-2.9247
160	H	A	-2.6759
161	H	A	-2.3880
162	H	A	-1.9025