Project name: ug4

Chain sequence(s)	A: PLGLRNFCFAGDDRGHTRDIADRLAAAAPELTVHRVPYSLGPDAYLQAIRDAAAAGADVVVLGGSWPSVYDEARAALDGGAKRVIGIAGPDRIEDPATRAAVDRVKRELPEFSLQFFAEEGAARDRDIDAFVAQLLAWAGRS
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:07)

• Minimal score value: -4.0578
• Maximal score value: 0.8348
• Average score: -1.0691
• Total score value: -151.8147

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	P	A	-0.1862
2	L	A	0.8348
3	G	A	-0.3227
4	L	A	0.0000
5	R	A	-2.0985
6	N	A	-1.3977
7	F	A	0.0000
8	C	A	0.0000
9	F	A	0.0000
10	A	A	0.0000
11	G	A	-0.6504
12	D	A	0.0000
13	D	A	-2.1910
14	R	A	-2.7059
15	G	A	-2.0465
16	H	A	-1.6795
17	T	A	0.0000
18	R	A	-2.7228
19	D	A	-2.3725
20	I	A	0.0000
21	A	A	0.0000
22	D	A	-2.2125
23	R	A	-2.6551
24	L	A	0.0000
25	A	A	-1.2116
26	A	A	-1.1025
27	A	A	-0.9928
28	A	A	0.0000
29	P	A	-1.3061
30	E	A	-2.0556
31	L	A	-1.3789
32	T	A	-0.7868
33	V	A	-0.7471
34	H	A	-0.9158
35	R	A	-1.4340
36	V	A	0.0000
37	P	A	-0.2565
38	Y	A	0.7724
39	S	A	0.5029
40	L	A	0.4622
41	G	A	-0.3017
42	P	A	-0.9027
43	D	A	-1.8773
44	A	A	-0.9539
45	Y	A	-0.3911
46	L	A	-1.1569
47	Q	A	-1.5719
48	A	A	-1.3397
49	I	A	0.0000
50	R	A	-2.0205
51	D	A	-2.0745
52	A	A	0.0000
53	A	A	0.0000
54	A	A	-1.1164
55	A	A	-0.7187
56	G	A	-0.7987
57	A	A	0.0000
58	D	A	-1.4529
59	V	A	0.0000
60	V	A	0.0000
61	V	A	0.0000
62	L	A	0.0000
63	G	A	0.0262
64	G	A	0.0000
65	S	A	-0.7821
66	W	A	0.5180
67	P	A	-0.2508
68	S	A	-0.3434
69	V	A	0.0000
70	Y	A	-1.4490
71	D	A	-1.9651
72	E	A	0.0000
73	A	A	0.0000
74	R	A	-1.9781
75	A	A	0.0000
76	A	A	0.0000
77	L	A	-2.0203
78	D	A	-2.4960
79	G	A	-2.0442
80	G	A	-1.7652
81	A	A	-1.8214
82	K	A	-2.2076
83	R	A	-1.9736
84	V	A	0.0000
85	I	A	0.0000
86	G	A	0.0000
87	I	A	0.0000
88	A	A	0.0000
89	G	A	0.0000
90	P	A	-1.6661
91	D	A	-3.4819
92	R	A	-3.2038
93	I	A	0.0000
94	E	A	-4.0578
95	D	A	-3.4604
96	P	A	-1.8815
97	A	A	-1.0216
98	T	A	0.0000
99	R	A	-2.5801
100	A	A	-1.6767
101	A	A	0.0000
102	V	A	0.0000
103	D	A	-2.7114
104	R	A	-3.5676
105	V	A	0.0000
106	K	A	-3.8427
107	R	A	-3.9916
108	E	A	-3.3319
109	L	A	0.0000
110	P	A	-2.0710
111	E	A	-2.1993
112	F	A	0.0000
113	S	A	-0.9155
114	L	A	-0.0618
115	Q	A	-0.0401
116	F	A	0.1236
117	F	A	0.0000
118	A	A	-1.7977
119	E	A	-2.6247
120	E	A	-3.0740
121	G	A	-2.2934
122	A	A	-1.9085
123	A	A	-2.2864
124	R	A	-3.0802
125	D	A	-3.5789
126	R	A	-3.1308
127	D	A	-2.0441
128	I	A	0.0000
129	D	A	-2.3644
130	A	A	-1.4190
131	F	A	0.0000
132	V	A	0.0000
133	A	A	-0.9068
134	Q	A	-1.0703
135	L	A	0.0000
136	L	A	0.0000
137	A	A	-0.7522
138	W	A	-0.3647
139	A	A	0.0000
140	G	A	-1.1443
141	R	A	-1.4471
142	S	A	-0.8018