Project name: shread2

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:31)

• Minimal score value: -3.6019
• Maximal score value: 3.0201
• Average score: -0.5512
• Total score value: -85.4314

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	1.3438
2	Y	A	0.9863
3	R	A	-0.5379
4	M	A	0.3737
5	Q	A	0.0409
6	L	A	1.5953
7	L	A	2.0439
8	S	A	1.2718
9	C	A	2.3306
10	I	A	3.0201
11	A	A	2.0376
12	L	A	2.2044
13	S	A	1.2193
14	L	A	2.0219
15	A	A	1.6839
16	L	A	2.4570
17	V	A	2.3078
18	T	A	0.4592
19	N	A	-0.9989
20	S	A	-0.6550
21	A	A	-0.3047
22	P	A	-0.2633
23	T	A	-0.4143
24	S	A	-0.2718
25	S	A	-0.9098
26	S	A	-1.3637
27	T	A	-1.4697
28	K	A	-2.4903
29	K	A	-2.5757
30	T	A	-1.7175
31	Q	A	-1.2933
32	L	A	-0.8220
33	Q	A	-1.0442
34	L	A	0.0000
35	E	A	-0.9756
36	H	A	-0.6314
37	L	A	0.0000
38	L	A	0.0000
39	L	A	0.7401
40	D	A	0.2773
41	L	A	0.0000
42	Q	A	0.3195
43	M	A	0.8616
44	V	A	0.7513
45	I	A	0.0000
46	L	A	-0.2556
47	N	A	-0.6027
48	G	A	-0.3709
49	I	A	0.0000
50	N	A	-1.4608
51	N	A	-1.5299
52	Y	A	-0.5348
53	K	A	-1.5563
54	N	A	0.0000
55	P	A	-0.9204
56	K	A	-1.1712
57	L	A	-0.6546
58	T	A	-0.7316
59	R	A	-1.6541
60	M	A	0.0000
61	L	A	-0.2381
62	T	A	-0.3881
63	F	A	-0.4858
64	K	A	-1.5782
65	F	A	0.0000
66	Y	A	-0.8266
67	M	A	0.0000
68	P	A	0.0000
69	K	A	-3.3810
70	K	A	-2.8498
71	A	A	-1.8307
72	T	A	-1.0753
73	E	A	-1.0099
74	L	A	-0.4888
75	K	A	-0.8239
76	H	A	0.0000
77	L	A	0.0000
78	Q	A	-0.8593
79	C	A	0.0000
80	L	A	0.0000
81	E	A	-1.0481
82	E	A	-1.9251
83	E	A	0.0000
84	L	A	0.0000
85	K	A	-3.0346
86	P	A	-2.0833
87	L	A	0.0000
88	E	A	-2.9460
89	E	A	-2.9213
90	V	A	0.0000
91	L	A	0.0000
92	N	A	-1.9480
93	L	A	0.0000
94	A	A	-1.2675
95	Q	A	-1.7084
96	S	A	-1.6180
97	K	A	-2.1428
98	N	A	-1.3462
99	F	A	0.6158
100	H	A	-0.3054
101	L	A	0.0246
102	R	A	0.0000
103	P	A	-1.6220
104	R	A	-3.6019
105	D	A	-3.0193
106	L	A	0.0000
107	I	A	0.0000
108	S	A	-1.6078
109	N	A	-1.4848
110	I	A	0.0000
111	N	A	-0.4548
112	V	A	0.9506
113	I	A	0.2227
114	V	A	0.0000
115	L	A	0.2640
116	E	A	-0.9440
117	L	A	-0.6654
118	K	A	0.0000
119	G	A	-1.2392
120	S	A	0.0000
121	E	A	-1.7168
122	T	A	-0.8327
123	T	A	-0.1787
124	F	A	-0.0681
125	M	A	0.4213
126	C	A	-1.0017
127	E	A	-2.0044
128	Y	A	-1.7702
129	A	A	-2.6690
130	D	A	-3.0764
131	E	A	-3.1251
132	K	A	-2.2599
133	T	A	-1.6701
134	A	A	0.0000
135	T	A	-0.8193
136	I	A	0.0000
137	V	A	-0.9137
138	E	A	-2.2822
139	F	A	0.0000
140	L	A	0.0000
141	N	A	-1.7896
142	R	A	-1.8460
143	W	A	0.0000
144	I	A	-0.7734
145	T	A	-0.9937
146	F	A	0.0000
147	C	A	0.0000
148	Q	A	-1.3889
149	S	A	-0.8343
150	I	A	0.0000
151	I	A	-0.4436
152	S	A	-0.4630
153	T	A	-0.1690
154	L	A	-0.0328
155	T	A	-0.2037