Project name: 2ac8cf94732742b

Chain sequence(s)	X: MSYNLLGFLQRSSNFQCQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEMLQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHLKRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLR
Selected Chain(s)	X
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 X 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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -4.1996
• Maximal score value: 1.3091
• Average score: -0.9289
• Total score value: -153.2653

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	X	0.8702
2	S	X	-0.1183
3	Y	X	0.0000
4	N	X	-0.8792
5	L	X	0.9554
6	L	X	0.0000
7	G	X	0.0000
8	F	X	1.3091
9	L	X	1.0629
10	Q	X	0.0000
11	R	X	-0.3496
12	S	X	0.3048
13	S	X	0.0000
14	N	X	0.0000
15	F	X	0.8872
16	Q	X	-0.6385
17	C	X	0.0000
18	Q	X	-0.1473
19	K	X	-0.8127
20	L	X	0.0000
21	L	X	0.0000
22	W	X	-0.0781
23	Q	X	-1.1535
24	L	X	0.0000
25	N	X	-1.9394
26	G	X	-1.5953
27	R	X	-2.2335
28	L	X	-0.7979
29	E	X	-1.1886
30	Y	X	0.2782
31	C	X	0.0000
32	L	X	0.2730
33	K	X	-1.2972
34	D	X	-1.4892
35	R	X	-2.1872
36	M	X	-1.6363
37	N	X	-2.0540
38	F	X	-1.6371
39	D	X	-2.3530
40	I	X	0.0000
41	P	X	-1.8581
42	E	X	-2.6726
43	E	X	-1.6550
44	I	X	0.0000
45	K	X	-1.8421
46	Q	X	-1.6032
47	L	X	-1.3230
48	Q	X	-1.8797
49	Q	X	-1.9874
50	F	X	-1.5443
51	Q	X	-1.9818
52	K	X	-1.8553
53	E	X	-1.1566
54	D	X	-1.2743
55	A	X	0.0000
56	A	X	0.0000
57	L	X	0.0000
58	T	X	0.0000
59	I	X	0.0000
60	Y	X	0.0000
61	E	X	0.0000
62	M	X	0.0000
63	L	X	0.0000
64	Q	X	-0.4816
65	N	X	-0.7187
66	I	X	0.0000
67	F	X	-0.2191
68	A	X	-0.9589
69	I	X	0.0000
70	F	X	0.0000
71	R	X	-2.5415
72	Q	X	-1.9847
73	D	X	-2.4945
74	S	X	-1.7991
75	S	X	-1.1480
76	S	X	-0.9610
77	T	X	-1.1753
78	G	X	-1.5117
79	W	X	0.0000
80	N	X	-2.3656
81	E	X	-2.8671
82	T	X	-1.9567
83	I	X	-1.5754
84	V	X	-2.1073
85	E	X	-3.0835
86	N	X	-2.2036
87	L	X	0.0000
88	L	X	0.0000
89	A	X	-0.8604
90	N	X	-0.7194
91	V	X	0.0000
92	Y	X	-0.1906
93	H	X	-1.1512
94	Q	X	0.0000
95	I	X	0.0000
96	N	X	-1.6703
97	H	X	-1.0048
98	L	X	0.0000
99	K	X	-2.3653
100	T	X	-1.4627
101	V	X	-0.9043
102	L	X	0.0000
103	E	X	-3.9715
104	E	X	-4.1996
105	K	X	-3.3860
106	L	X	0.0000
107	E	X	-4.0610
108	K	X	-3.8086
109	E	X	-3.4818
110	D	X	0.0000
111	F	X	-0.1663
112	T	X	-0.6880
113	R	X	-2.1158
114	G	X	-1.5427
115	K	X	-1.8690
116	L	X	-0.9408
117	M	X	0.0000
118	S	X	-0.6168
119	S	X	-0.4826
120	L	X	-0.1148
121	H	X	-1.5686
122	L	X	0.0000
123	K	X	-3.0056
124	R	X	-3.0254
125	Y	X	0.0000
126	Y	X	0.0000
127	G	X	-2.3714
128	R	X	-2.9741
129	I	X	0.0000
130	L	X	-1.3374
131	H	X	-2.3094
132	Y	X	0.0000
133	L	X	0.0000
134	K	X	-2.9782
135	A	X	-2.0806
136	K	X	-2.5251
137	E	X	-2.9712
138	Y	X	-2.0012
139	S	X	-1.2342
140	H	X	-0.6758
141	C	X	-0.5844
142	A	X	0.0000
143	W	X	0.0000
144	T	X	0.0000
145	I	X	0.0000
146	V	X	0.0000
147	R	X	0.0000
148	V	X	0.5590
149	E	X	-0.2018
150	I	X	0.0000
151	L	X	0.0000
152	R	X	-0.3028
153	N	X	0.0000
154	F	X	0.0000
155	Y	X	0.3254
156	F	X	0.0000
157	I	X	0.0000
158	N	X	-0.8944
159	R	X	-1.8300
160	L	X	0.0000
161	T	X	0.0000
162	G	X	-1.2655
163	Y	X	-1.0928
164	L	X	0.0000
165	R	X	-1.7137