Project name: REST_test

Chain sequence(s)	A: IQKVQDDTKTLIKTIVTRINDILDFIPGLHPILTLSKMDQTLAVYQQILTSMPSRNVIQISNDLENLRDLLHVLAFSKSCHLPEASGLETLDSLGGVLEASGYSTEVVALSRLQGSLQDMLWQLDLSPGC
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)

• Minimal score value: -2.0533
• Maximal score value: 1.9503
• Average score: -0.232
• Total score value: -30.1578

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
3	I	A	1.8189
4	Q	A	-1.1645
5	K	A	-1.9624
6	V	A	0.1085
7	Q	A	-0.4100
8	D	A	-1.2982
9	D	A	-1.9243
10	T	A	0.0000
11	K	A	-0.6416
12	T	A	-0.1500
13	L	A	0.1898
14	I	A	0.0000
15	K	A	-1.4662
16	T	A	-0.2966
17	I	A	0.0000
18	V	A	0.1779
19	T	A	-0.1158
20	R	A	-0.4970
21	I	A	0.0000
22	N	A	-1.6096
23	D	A	-1.6579
24	I	A	1.6828
39	L	A	0.5837
40	D	A	-1.2583
41	F	A	1.6552
42	I	A	0.5878
43	P	A	-0.2168
44	G	A	-0.1444
45	L	A	0.0000
46	H	A	-0.9958
47	P	A	0.0750
48	I	A	1.6915
49	L	A	1.1610
50	T	A	0.1275
51	L	A	0.0000
52	S	A	-0.1958
53	K	A	-0.9864
54	M	A	0.0000
55	D	A	0.0000
56	Q	A	-0.3353
57	T	A	0.0000
58	L	A	0.0000
59	A	A	0.0063
60	V	A	0.0000
61	Y	A	0.0000
62	Q	A	-0.1737
63	Q	A	-0.3387
64	I	A	0.0000
65	L	A	0.0000
66	T	A	-0.1098
67	S	A	-0.2050
68	M	A	0.0279
69	P	A	-0.2643
70	S	A	-0.5506
71	R	A	-1.9076
72	N	A	-0.5820
73	V	A	0.0000
74	I	A	1.2663
75	Q	A	-0.3016
76	I	A	0.0000
77	S	A	-0.1202
78	N	A	-1.2771
79	D	A	0.0000
80	L	A	0.0000
81	E	A	-2.0533
82	N	A	-1.6067
83	L	A	0.0000
84	R	A	-0.7079
85	D	A	-1.8197
86	L	A	-0.1148
87	L	A	0.0000
88	H	A	-0.1292
89	V	A	0.8238
90	L	A	0.0000
91	A	A	0.0000
92	F	A	1.9503
93	S	A	0.0617
94	K	A	-0.5307
95	S	A	-0.0703
96	C	A	-0.0799
97	H	A	-0.9319
98	L	A	-0.0573
99	P	A	-0.5632
100	E	A	-1.8645
101	A	A	-0.3554
102	S	A	-0.2970
103	G	A	-0.4289
104	L	A	-0.0173
105	E	A	-1.7495
106	T	A	-0.3021
107	L	A	0.0415
108	D	A	-1.7592
109	S	A	-0.5411
110	L	A	0.0000
111	G	A	-0.3381
112	G	A	-0.4230
113	V	A	0.4095
114	L	A	0.0000
115	E	A	-1.8170
116	A	A	-0.3611
117	S	A	-0.2956
118	G	A	-0.3210
119	Y	A	0.8941
120	S	A	0.0524
121	T	A	-0.3517
122	E	A	-1.5040
123	V	A	0.3991
124	V	A	0.0000
125	A	A	0.0000
126	L	A	0.0000
127	S	A	-0.0608
128	R	A	-0.2300
129	L	A	0.0000
130	Q	A	-0.2799
131	G	A	-0.2153
132	S	A	0.0000
133	L	A	0.0000
134	Q	A	-1.1782
135	D	A	-0.6087
136	M	A	0.0000
137	L	A	0.3130
138	W	A	1.2258
139	Q	A	0.0000
140	L	A	0.0000
141	D	A	-1.5009
142	L	A	1.1754
143	S	A	0.0690
144	P	A	0.0000
145	G	A	-0.3184
146	C	A	0.2076