Project name: 1361

Chain sequence(s)	A: SALRQLLRELVFKWFKKIVLAAAPILGWSEEELQKITDEPVTAPEDEEYRKKLLEEAIKKMEELFEKGEFGKEYFENFLKALLLTLHFLVKDPAKLAAFLEAVRALVKGELSLEEFLEKLEEITGGVKFTFPEEWKKKVHAIFREIAKKL
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:21)

• Minimal score value: -4.1087
• Maximal score value: 2.1077
• Average score: -1.3876
• Total score value: -208.1422

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	S	A	-0.0980
2	A	A	0.3690
3	L	A	1.0083
4	R	A	-0.9526
5	Q	A	-0.8222
6	L	A	0.9052
7	L	A	0.0084
8	R	A	-1.4011
9	E	A	-1.1619
10	L	A	-0.2137
11	V	A	-0.2584
12	F	A	0.0000
13	K	A	-1.8195
14	W	A	-0.8339
15	F	A	0.0000
16	K	A	-1.4480
17	K	A	-1.7937
18	I	A	-0.3062
19	V	A	0.0000
20	L	A	-0.4723
21	A	A	0.0893
22	A	A	0.5535
23	A	A	0.0000
24	P	A	0.6188
25	I	A	2.1077
26	L	A	1.0614
27	G	A	-0.0595
28	W	A	0.0000
29	S	A	-2.0801
30	E	A	-3.4774
31	E	A	-3.8806
32	E	A	-3.4747
33	L	A	0.0000
34	Q	A	-3.2038
35	K	A	-3.6183
36	I	A	-2.3591
37	T	A	0.0000
38	D	A	-2.1928
39	E	A	-1.9474
40	P	A	0.0000
41	V	A	-0.6123
42	T	A	-0.7652
43	A	A	-1.2197
44	P	A	-1.6240
45	E	A	-3.1072
46	D	A	-3.2208
47	E	A	-4.1087
48	E	A	-3.6501
49	Y	A	-2.4518
50	R	A	0.0000
51	K	A	-3.2274
52	K	A	-3.4674
53	L	A	-2.4522
54	L	A	0.0000
55	E	A	-3.7132
56	E	A	-3.9722
57	A	A	0.0000
58	I	A	-2.6713
59	K	A	-3.8867
60	K	A	-3.4716
61	M	A	-2.6194
62	E	A	-3.6285
63	E	A	-4.0115
64	L	A	0.0000
65	F	A	-2.1797
66	E	A	-3.4885
67	K	A	-3.2981
68	G	A	-2.1570
69	E	A	-1.8902
70	F	A	-0.3501
71	G	A	-1.0832
72	K	A	-2.1810
73	E	A	-2.0904
74	Y	A	-1.2057
75	F	A	-0.4278
76	E	A	-1.2505
77	N	A	-1.0193
78	F	A	0.4452
79	L	A	0.0000
80	K	A	-0.4064
81	A	A	-0.0926
82	L	A	0.6517
83	L	A	0.0000
84	L	A	0.0000
85	T	A	0.0000
86	L	A	0.0799
87	H	A	0.0000
88	F	A	0.0000
89	L	A	0.0000
90	V	A	0.0000
91	K	A	-2.2455
92	D	A	-1.4275
93	P	A	-0.7593
94	A	A	-0.4983
95	K	A	-1.2918
96	L	A	-0.4825
97	A	A	-0.4967
98	A	A	-0.9221
99	F	A	-0.6940
100	L	A	-0.9170
101	E	A	-2.2763
102	A	A	0.0000
103	V	A	0.0000
104	R	A	-3.1074
105	A	A	-2.5097
106	L	A	0.0000
107	V	A	-1.8655
108	K	A	-2.9381
109	G	A	-2.2528
110	E	A	-2.6612
111	L	A	-2.1044
112	S	A	-1.8384
113	L	A	-2.0206
114	E	A	-3.0086
115	E	A	-3.1226
116	F	A	0.0000
117	L	A	-2.5105
118	E	A	-3.9745
119	K	A	-2.8349
120	L	A	0.0000
121	E	A	-3.1882
122	E	A	-3.3246
123	I	A	0.0000
124	T	A	0.0000
125	G	A	-1.8790
126	G	A	-2.2078
127	V	A	0.0000
128	K	A	-2.6226
129	F	A	-1.2651
130	T	A	-0.8530
131	F	A	-0.2701
132	P	A	-1.2941
133	E	A	-3.0937
134	E	A	-3.2539
135	W	A	-2.2516
136	K	A	-3.0074
137	K	A	-3.2628
138	K	A	-2.5221
139	V	A	0.0000
140	H	A	-1.2817
141	A	A	-0.9242
142	I	A	-0.0759
143	F	A	-0.6876
144	R	A	-2.2310
145	E	A	-2.1783
146	I	A	-0.8113
147	A	A	-1.4828
148	K	A	-2.5785
149	K	A	-1.9166
150	L	A	0.0604